#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i01 s ARG 3 N 0.00 3.69 0.22 0.54 0.52 -1.26 -5.00 118.95 117.66 3i01 s ARG 3 Ca 0.00 -0.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 3i01 s ARG 3 Cb 0.00 -3.27 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 3i01 s ARG 3 CO 0.00 -0.10 0.58 -0.06 0.02 0.00 0.00 175.30 175.74 3i01 s PHE 4 N 1.36 3.48 0.24 -0.53 0.40 -1.26 -5.01 117.98 116.66 3i01 s PHE 4 Ca 0.05 0.99 -0.05 0.00 -0.60 0.00 0.00 56.93 57.33 3i01 s PHE 4 Cb -0.15 -2.34 0.43 0.00 0.51 0.00 0.00 43.02 41.47 3i01 s PHE 4 CO 0.03 0.29 1.74 -0.09 0.70 0.00 0.00 175.22 177.89 3i01 h ARG 5 N 2.82 0.45 -6.31 0.44 2.43 -1.94 -3.39 114.38 108.87 3i01 h ARG 5 Ca -0.48 -0.03 -0.56 0.00 -0.81 0.00 0.00 59.98 58.11 3i01 h ARG 5 Cb 1.18 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3i01 h ARG 5 CO 0.67 0.30 1.22 0.34 -1.51 0.00 0.00 179.97 180.99 3i01 s ASP 6 N -5.37 5.94 0.49 -3.80 -1.08 -1.26 -4.86 116.67 106.73 3i01 s ASP 6 Ca -0.12 0.96 0.28 0.00 -0.52 0.00 0.00 52.55 53.14 3i01 s ASP 6 Cb 0.20 -2.53 0.85 0.00 -1.46 0.00 0.00 42.92 39.98 3i01 s ASP 6 CO 0.76 -1.74 1.79 -0.07 0.52 0.00 0.00 175.17 176.44 3i01 h LEU 7 N 13.65 0.00 0.00 -1.34 3.38 -2.03 0.68 115.31 129.65 3i01 h LEU 7 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3i01 h LEU 7 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3i01 h LEU 7 CO 1.08 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 178.10 3i01 n SER 8 N -3.11 0.00 -4.50 -0.43 3.41 -1.26 -4.68 113.62 103.05 3i01 n SER 8 Ca 0.02 0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 58.44 3i01 n SER 8 Cb 0.42 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 3i01 n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3i01 s HIS 9 N -2.82 3.02 0.10 7.33 5.65 0.23 -5.00 115.29 123.79 3i01 s HIS 9 Ca 0.20 -0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.33 3i01 s HIS 9 Cb 0.19 -3.51 -0.00 0.00 -1.18 0.00 0.00 32.58 28.08 3i01 s HIS 9 CO 0.49 -0.99 0.00 0.27 -0.65 0.00 0.00 174.74 173.87 3i01 n ASN 10 N 6.42 2.20 -0.29 9.88 0.23 -1.26 -4.53 115.26 127.89 3i01 n ASN 10 Ca -0.02 -1.45 0.14 0.00 -0.53 0.00 0.00 54.58 52.71 3i01 n ASN 10 Cb 0.47 0.08 0.64 0.00 -2.08 0.00 0.00 39.78 38.89 3i01 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i01 s ARG 12 N -1.97 3.22 0.83 0.00 1.81 -1.26 -4.70 118.95 116.87 3i01 s ARG 12 Ca 0.39 -0.50 -0.11 0.00 -1.72 0.00 0.00 55.73 53.79 3i01 s ARG 12 Cb 0.20 -2.93 0.09 0.00 -0.45 0.00 0.00 34.95 31.86 3i01 s ARG 12 CO 0.32 0.61 1.09 -1.25 -0.68 0.00 0.00 175.30 175.40 3i01 s PRO 13 N -2.27 1.84 1.32 3.54 0.04 -1.24 -4.98 135.00 133.24 3i01 s PRO 13 Ca 0.30 0.93 -0.20 0.00 0.04 0.00 0.00 61.00 62.07 3i01 s PRO 13 Cb -0.13 -1.87 0.33 0.00 0.04 0.00 0.00 34.50 32.88 3i01 s PRO 13 CO 0.23 -1.87 1.00 -1.54 0.04 0.00 0.00 177.00 174.86 3i01 s SER 14 N -3.50 -0.15 0.00 6.66 1.04 -1.26 -4.96 113.70 111.52 3i01 s SER 14 Ca 0.62 0.87 0.12 0.00 0.48 0.00 0.00 55.95 58.03 3i01 s SER 14 Cb -0.17 -1.25 0.38 0.00 0.10 0.00 0.00 66.02 65.08 3i01 s SER 14 CO 0.56 -4.81 1.29 -0.62 0.98 0.00 0.00 173.24 170.65 3i01 n GLU 15 N -5.26 1.67 -1.44 4.02 -0.58 -1.26 -4.94 120.64 112.85 3i01 n GLU 15 Ca 0.11 -1.04 -0.44 0.00 -0.42 0.00 0.00 57.16 55.37 3i01 n GLU 15 Cb 0.59 -1.26 -0.01 0.00 -0.57 0.00 0.00 31.44 30.19 3i01 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i01 n ALA 16 N 0.33 -1.85 -1.47 0.62 0.00 -1.26 -4.94 120.51 111.93 3i01 n ALA 16 Ca 0.11 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 3i01 n ALA 16 Cb 0.26 -1.73 0.06 0.00 0.00 0.00 0.00 19.45 18.04 3i01 n ALA 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i01 s PRO 17 N -1.34 2.63 0.17 0.00 0.04 -1.26 -4.93 135.00 130.31 3i01 s PRO 17 Ca 0.62 1.50 0.14 0.00 0.04 0.00 0.00 61.00 63.29 3i01 s PRO 17 Cb -0.71 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 3i01 s PRO 17 CO 0.59 -1.40 1.20 0.00 0.04 0.00 0.00 177.00 177.42 3i01 h ARG 18 N -0.03 0.00 -4.94 4.56 2.47 -1.94 -3.42 114.38 111.08 3i01 h ARG 18 Ca -0.47 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.58 3i01 h ARG 18 Cb 1.26 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.25 3i01 h ARG 18 CO 0.53 0.54 -0.77 0.08 0.56 0.00 0.00 179.97 180.91 3i01 s VAL 19 N -2.88 2.70 -0.00 2.04 1.01 -1.26 -4.52 120.40 117.49 3i01 s VAL 19 Ca 0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 3i01 s VAL 19 Cb 0.08 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3i01 s VAL 19 CO 0.78 0.27 1.26 -0.04 0.00 0.00 0.00 175.10 177.37 3i01 s MET 20 N 1.31 4.36 -0.87 2.72 -1.94 -0.77 -4.45 119.30 119.66 3i01 s MET 20 Ca 0.01 1.79 -0.03 0.00 -1.71 0.00 0.00 55.69 55.74 3i01 s MET 20 Cb -0.16 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.20 3i01 s MET 20 CO -0.06 -0.42 0.61 0.39 -0.01 0.00 0.00 175.02 175.52 3i01 n GLU 21 N 4.83 -1.42 0.29 2.03 1.02 -1.26 -4.74 120.64 121.39 3i01 n GLU 21 Ca 0.11 0.67 0.13 0.00 -0.02 0.00 0.00 57.16 58.05 3i01 n GLU 21 Cb 0.45 -2.23 0.70 0.00 -0.02 0.00 0.00 31.44 30.35 3i01 n GLU 21 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3i01 h PRO 22 N -0.53 0.00 -0.01 3.49 0.13 -1.96 -0.69 132.00 132.43 3i01 h PRO 22 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 3i01 h PRO 22 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 3i01 h PRO 22 CO 0.38 0.00 -0.65 1.63 -0.23 0.00 0.00 178.00 179.13 3i01 n LYS 23 N -2.66 0.80 -3.27 0.86 5.02 -1.26 -4.60 118.16 113.06 3i01 n LYS 23 Ca -0.02 -0.66 -0.40 0.00 -2.02 0.00 0.00 58.31 55.21 3i01 n LYS 23 Cb 0.35 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.80 3i01 n LYS 23 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i01 s ASN 24 N -2.65 6.38 0.16 4.39 3.84 -0.27 -4.95 114.94 121.84 3i01 s ASN 24 Ca 0.15 0.42 0.25 0.00 0.21 0.00 0.00 52.86 53.89 3i01 s ASN 24 Cb 0.17 -2.27 0.53 0.00 -0.55 0.00 0.00 41.25 39.14 3i01 s ASN 24 CO 0.67 -0.29 1.50 -2.11 -2.79 0.00 0.00 177.10 174.09 3i01 n ARG 25 N 5.52 0.28 -1.44 0.43 1.85 -1.26 -4.23 116.66 117.80 3i01 n ARG 25 Ca -0.05 0.14 -0.29 0.00 -1.00 0.00 0.00 57.85 56.65 3i01 n ARG 25 Cb 0.50 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 30.11 3i01 n ARG 25 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i01 n ASP 26 N -2.17 7.06 -3.28 2.89 8.00 -1.26 -4.69 116.55 123.09 3i01 n ASP 26 Ca 0.04 -2.86 -0.37 0.00 0.71 0.00 0.00 54.79 52.31 3i01 n ASP 26 Cb 0.44 -1.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 3i01 n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i01 n ARG 27 N 2.12 4.18 -3.59 -1.24 1.74 -1.26 -4.85 116.66 113.76 3i01 n ARG 27 Ca 0.57 -3.28 -0.14 0.00 -0.77 0.00 0.00 57.85 54.24 3i01 n ARG 27 Cb 0.50 -2.52 -0.06 0.00 -1.02 0.00 0.00 32.46 29.36 3i01 n ARG 27 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i01 s THR 28 N -1.52 0.03 -0.75 0.55 -1.32 -1.26 -0.18 115.64 111.20 3i01 s THR 28 Ca 0.55 -0.25 0.07 0.00 -1.21 0.00 0.00 61.69 60.84 3i01 s THR 28 Cb 0.23 -0.95 0.13 0.00 -1.51 0.00 0.00 72.50 70.40 3i01 s THR 28 CO -0.12 -0.14 0.97 1.33 -2.21 0.00 0.00 174.62 174.44 3i01 n VAL 29 N 0.51 0.54 -2.67 5.08 0.24 -0.85 -4.85 118.33 116.33 3i01 n VAL 29 Ca -0.19 -0.77 -0.43 0.00 -2.04 0.00 0.00 64.34 60.92 3i01 n VAL 29 Cb 0.60 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.74 3i01 n VAL 29 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i01 s ASP 30 N -0.82 6.63 0.53 -1.34 -1.08 -1.26 -4.91 116.67 114.43 3i01 s ASP 30 Ca 0.12 0.44 0.22 0.00 -0.52 0.00 0.00 52.55 52.81 3i01 s ASP 30 Cb 0.07 -2.52 1.45 0.00 -1.46 0.00 0.00 42.92 40.46 3i01 s ASP 30 CO 0.10 -1.16 2.16 1.55 0.52 0.00 0.00 175.17 178.34 3i01 h PRO 31 N 9.06 0.00 -0.28 4.34 0.13 -1.97 -1.74 132.00 141.54 3i01 h PRO 31 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 3i01 h PRO 31 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3i01 h PRO 31 CO 1.09 0.04 -0.33 0.00 -0.23 0.00 0.00 178.00 178.57 3i01 h ALA 32 N 1.96 0.90 -0.20 -0.56 0.00 -1.95 -2.38 119.26 117.03 3i01 h ALA 32 Ca -0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3i01 h ALA 32 Cb 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i01 h ALA 32 CO 0.01 0.62 -0.62 0.28 0.00 0.00 0.00 179.25 179.54 3i01 h VAL 33 N 0.52 1.31 -0.96 0.00 2.07 -1.74 -1.21 116.25 116.22 3i01 h VAL 33 Ca 0.06 -1.86 0.01 0.00 0.82 0.00 0.00 66.70 65.73 3i01 h VAL 33 Cb 0.82 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3i01 h VAL 33 CO 0.07 0.59 0.64 -0.07 0.02 0.00 0.00 177.57 178.81 3i01 h LEU 34 N 0.50 1.10 -0.27 2.57 3.38 -1.25 0.29 115.31 121.63 3i01 h LEU 34 Ca -0.01 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3i01 h LEU 34 Cb 1.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3i01 h LEU 34 CO 0.12 0.79 -0.16 -0.33 0.09 0.00 0.00 178.44 178.96 3i01 h GLU 35 N 1.30 0.59 -0.01 1.13 5.08 -1.16 -3.06 114.58 118.44 3i01 h GLU 35 Ca 0.36 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3i01 h GLU 35 Cb -0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3i01 h GLU 35 CO -0.08 0.85 -0.34 0.52 -1.00 0.00 0.00 179.01 178.96 3i01 h MET 36 N 0.32 0.02 -0.20 2.33 2.86 -0.91 -2.96 114.93 116.39 3i01 h MET 36 Ca 0.06 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 3i01 h MET 36 Cb 0.69 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3i01 h MET 36 CO 0.05 0.36 -0.16 -0.07 1.06 0.00 0.00 176.91 178.15 3i01 h LEU 37 N 0.02 0.32 -0.66 1.22 3.38 -0.85 0.16 115.31 118.91 3i01 h LEU 37 Ca -0.00 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3i01 h LEU 37 Cb 0.61 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 3i01 h LEU 37 CO 0.04 0.51 0.27 0.58 0.09 0.00 0.00 178.44 179.93 3i01 h VAL 38 N 0.31 0.77 0.09 1.22 2.07 -1.45 -2.73 116.25 116.53 3i01 h VAL 38 Ca 0.06 -0.16 -0.26 0.00 0.82 0.00 0.00 66.70 67.16 3i01 h VAL 38 Cb 0.47 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3i01 h VAL 38 CO 0.03 0.08 -1.14 0.50 0.02 0.00 0.00 177.57 177.06 3i01 h LYS 39 N 0.46 0.41 -0.35 1.57 3.64 -1.40 -2.63 116.57 118.26 3i01 h LYS 39 Ca 0.34 -0.55 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 3i01 h LYS 39 Cb 0.42 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3i01 h LYS 39 CO -0.32 1.22 0.04 0.66 -2.27 0.00 0.00 179.45 178.78 3i01 h SER 40 N 0.18 0.57 -0.71 4.20 4.64 -0.77 0.61 113.55 122.27 3i01 h SER 40 Ca -0.13 -0.28 0.10 0.00 -0.47 0.00 0.00 61.79 61.01 3i01 h SER 40 Cb 1.82 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 63.68 3i01 h SER 40 CO 0.20 0.71 0.34 0.50 -0.87 0.00 0.00 176.83 177.70 3i01 h LYS 41 N 0.42 0.54 -0.43 4.77 3.64 -1.50 -0.95 116.57 123.07 3i01 h LYS 41 Ca 0.10 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3i01 h LYS 41 Cb 0.39 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3i01 h LYS 41 CO 0.01 0.36 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.06 3i01 h ASP 42 N 0.56 0.78 0.00 4.20 5.19 -1.28 -2.73 116.42 123.14 3i01 h ASP 42 Ca 0.35 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3i01 h ASP 42 Cb 0.41 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.70 3i01 h ASP 42 CO -0.29 0.93 0.00 0.47 -3.12 0.00 0.00 179.24 177.23 3i01 n ASP 43 N -4.35 0.00 -3.47 6.45 8.00 0.19 -4.91 116.55 118.46 3i01 n ASP 43 Ca -0.01 -0.94 -0.25 0.00 0.71 0.00 0.00 54.79 54.31 3i01 n ASP 43 Cb 0.33 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.47 3i01 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i01 n LYS 44 N -0.88 -5.60 -3.37 -1.24 5.02 -0.63 -4.97 118.16 106.49 3i01 n LYS 44 Ca 0.14 0.73 -0.38 0.00 -2.02 0.00 0.00 58.31 56.78 3i01 n LYS 44 Cb 0.06 -5.63 -0.06 0.00 -0.02 0.00 0.00 35.03 29.38 3i01 n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i01 s VAL 45 N -3.21 5.12 -0.13 -0.18 1.01 -0.46 -5.04 120.40 117.52 3i01 s VAL 45 Ca 0.49 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 3i01 s VAL 45 Cb -0.23 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3i01 s VAL 45 CO 0.61 0.41 0.56 -0.63 0.00 0.00 0.00 175.10 176.05 3i01 s ILE 46 N 0.04 5.12 0.51 2.22 1.01 -1.26 -4.58 121.20 124.26 3i01 s ILE 46 Ca 0.25 1.11 0.04 0.00 0.00 0.00 0.00 60.65 62.05 3i01 s ILE 46 Cb -0.16 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3i01 s ILE 46 CO 0.11 0.25 0.20 0.42 0.00 0.00 0.00 174.94 175.93 3i01 s THR 47 N 1.01 1.53 0.54 2.92 -4.23 -1.26 -4.93 115.64 111.21 3i01 s THR 47 Ca 0.29 -1.74 0.25 0.00 -1.18 0.00 0.00 61.69 59.31 3i01 s THR 47 Cb -0.16 -2.27 0.38 0.00 1.34 0.00 0.00 72.50 71.80 3i01 s THR 47 CO 0.12 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.21 3i01 h ALA 48 N 1.10 2.37 -0.42 3.99 0.00 -1.98 -1.41 119.26 122.92 3i01 h ALA 48 Ca -0.41 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3i01 h ALA 48 Cb 1.30 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3i01 h ALA 48 CO 0.66 -0.58 -0.01 0.74 0.00 0.00 0.00 179.25 180.06 3i01 h PHE 49 N 0.00 0.81 0.06 0.00 -1.00 -1.88 -0.33 116.94 114.60 3i01 h PHE 49 Ca 0.22 -0.14 -0.25 0.00 2.81 0.00 0.00 57.97 60.60 3i01 h PHE 49 Cb 0.90 -0.21 0.01 0.00 3.61 0.00 0.00 35.95 40.26 3i01 h PHE 49 CO 0.00 0.81 -1.09 -0.44 -1.61 0.00 0.00 178.31 175.99 3i01 h ASP 50 N 0.57 0.58 -0.59 2.17 3.32 -1.74 -2.84 116.42 117.90 3i01 h ASP 50 Ca 0.12 -0.52 0.01 0.00 0.02 0.00 0.00 57.03 56.66 3i01 h ASP 50 Cb 0.50 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3i01 h ASP 50 CO 0.02 1.34 0.38 0.03 -1.72 0.00 0.00 179.24 179.30 3i01 h ARG 51 N 0.20 0.74 -0.26 3.56 3.08 -1.18 -2.01 114.38 118.51 3i01 h ARG 51 Ca -0.12 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.94 3i01 h ARG 51 Cb 1.75 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.59 3i01 h ARG 51 CO 0.19 0.49 -0.05 0.35 -1.07 0.00 0.00 179.97 179.89 3i01 h PHE 52 N 0.77 -0.10 -0.53 3.04 3.57 -1.04 -1.75 116.94 120.90 3i01 h PHE 52 Ca 0.22 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.80 3i01 h PHE 52 Cb -0.05 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 3i01 h PHE 52 CO -0.04 -0.09 0.26 0.28 -2.23 0.00 0.00 178.31 176.48 3i01 h VAL 53 N 0.02 0.93 0.00 1.41 2.07 -1.31 -2.21 116.25 117.15 3i01 h VAL 53 Ca 0.12 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3i01 h VAL 53 Cb 0.18 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3i01 h VAL 53 CO -0.25 0.09 -0.16 0.00 0.02 0.00 0.00 177.57 177.27 3i01 h ALA 54 N 1.30 1.35 0.00 1.67 0.00 -1.05 -1.82 119.26 120.70 3i01 h ALA 54 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i01 h ALA 54 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i01 h ALA 54 CO -0.18 0.21 0.00 1.96 0.00 0.00 0.00 179.25 181.23 3i01 h GLN 55 N 0.00 0.00 -6.69 0.00 1.08 -0.68 -3.46 115.11 105.36 3i01 h GLN 55 Ca -0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3i01 h GLN 55 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3i01 h GLN 55 CO 0.02 0.00 0.47 -0.65 -0.95 0.00 0.00 178.83 177.72 3i01 s GLN 56 N -3.55 4.62 0.26 1.46 -1.52 -0.69 -3.27 119.66 116.97 3i01 s GLN 56 Ca 0.02 1.72 -0.21 0.00 -1.95 0.00 0.00 55.36 54.94 3i01 s GLN 56 Cb 0.09 -3.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.53 3i01 s GLN 56 CO 0.51 0.13 0.79 -1.25 -0.25 0.00 0.00 175.29 175.22 3i01 s PRO 57 N -0.62 4.32 0.41 2.91 0.04 -1.26 -5.07 135.00 135.72 3i01 s PRO 57 Ca 0.48 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 3i01 s PRO 57 Cb -0.30 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.36 3i01 s PRO 57 CO 0.36 0.34 0.78 -0.65 0.04 0.00 0.00 177.00 177.87 3i01 s GLN 58 N -2.08 3.81 0.04 4.56 -0.21 -1.20 -4.97 119.66 119.60 3i01 s GLN 58 Ca 0.46 0.52 -0.30 0.00 0.02 0.00 0.00 55.36 56.06 3i01 s GLN 58 Cb -0.17 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.38 3i01 s GLN 58 CO 0.21 -0.04 1.94 0.00 -2.12 0.00 0.00 175.29 175.28 3i01 h LYS 60 N 10.39 0.81 -0.31 0.00 3.64 -1.98 -0.94 116.57 128.18 3i01 h LYS 60 Ca -0.49 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 3i01 h LYS 60 Cb 1.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 3i01 h LYS 60 CO 0.94 0.95 0.20 0.82 -2.27 0.00 0.00 179.45 180.10 3i01 h ILE 61 N 0.70 1.09 -0.22 2.00 2.04 -1.99 -1.63 117.51 119.51 3i01 h ILE 61 Ca 0.10 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.60 3i01 h ILE 61 Cb 0.74 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3i01 h ILE 61 CO 0.06 0.09 -0.55 1.23 0.00 0.00 0.00 178.15 178.98 3i01 h GLY 62 N 0.42 0.74 0.49 5.37 0.00 -1.93 -2.69 103.07 105.47 3i01 h GLY 62 Ca 0.11 -0.86 0.20 0.00 0.00 0.00 0.00 47.33 46.78 3i01 h GLY 62 CO -0.02 0.77 0.54 -1.82 0.00 0.00 0.00 176.54 176.01 3i01 h TYR 63 N 0.52 0.26 -0.29 5.60 3.20 -0.94 -1.82 116.97 123.50 3i01 h TYR 63 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3i01 h TYR 63 Cb 1.11 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.30 3i01 h TYR 63 CO 0.06 0.08 0.00 0.39 -1.64 0.00 0.00 178.16 177.04 3i01 n GLU 64 N -4.41 2.29 -1.14 1.82 1.02 -0.63 -4.00 120.64 115.58 3i01 n GLU 64 Ca 0.16 -1.94 -0.05 0.00 -0.02 0.00 0.00 57.16 55.31 3i01 n GLU 64 Cb 0.72 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 3i01 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i01 n GLY 65 N 1.40 0.76 1.18 0.62 0.00 -0.68 -1.15 105.19 107.30 3i01 n GLY 65 Ca 0.18 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3i01 n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i01 n ILE 66 N -2.81 1.99 -3.72 -0.61 -5.35 -1.10 -2.73 119.36 105.03 3i01 n ILE 66 Ca -0.05 -1.46 -0.36 0.00 -0.27 0.00 0.00 62.75 60.62 3i01 n ILE 66 Cb 0.18 -0.01 -0.09 0.00 -1.74 0.00 0.00 39.64 37.99 3i01 n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i01 n ARG 69 N 4.08 3.06 0.00 0.00 1.74 -1.26 -1.17 116.66 123.11 3i01 n ARG 69 Ca -0.19 -4.03 0.15 0.00 -0.77 0.00 0.00 57.85 53.01 3i01 n ARG 69 Cb 0.52 -2.08 0.70 0.00 -1.02 0.00 0.00 32.46 30.58 3i01 n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i01 n PHE 70 N -0.62 0.00 -3.88 -1.55 3.01 -1.26 -4.91 117.46 108.25 3i01 n PHE 70 Ca 0.34 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.71 3i01 n PHE 70 Cb 0.88 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 40.30 3i01 n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i01 n MET 72 N -0.48 0.59 0.22 0.00 2.81 -1.26 -2.75 117.12 116.25 3i01 n MET 72 Ca -0.05 0.01 0.11 0.00 -1.81 0.00 0.00 57.70 55.96 3i01 n MET 72 Cb 0.60 -1.50 0.39 0.00 -0.71 0.00 0.00 33.22 32.00 3i01 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i01 h ALA 73 N 3.53 0.96 -3.11 3.04 0.00 -1.99 -3.46 119.26 118.23 3i01 h ALA 73 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i01 h ALA 73 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3i01 h ALA 73 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3i01 n GLY 74 N 0.45 0.38 3.77 0.00 0.00 -1.11 -4.84 105.19 103.83 3i01 n GLY 74 Ca 0.01 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 3i01 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i01 s PRO 75 N 0.39 4.05 0.04 1.61 0.02 -1.26 -5.07 135.00 134.78 3i01 s PRO 75 Ca 0.00 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.29 3i01 s PRO 75 Cb 0.00 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.66 3i01 s PRO 75 CO 0.00 -0.44 -0.21 0.00 -0.33 0.00 0.00 177.00 176.02 3i01 s ARG 77 N -1.31 0.76 -0.29 0.00 1.70 -1.26 0.32 118.95 118.88 3i01 s ARG 77 Ca 0.13 -0.94 -0.29 0.00 -0.47 0.00 0.00 55.73 54.17 3i01 s ARG 77 Cb -0.10 -0.69 0.01 0.00 -0.57 0.00 0.00 34.95 33.60 3i01 s ARG 77 CO 0.04 0.15 1.05 0.42 -1.08 0.00 0.00 175.30 175.87 3i01 s ILE 78 N -1.40 4.58 -0.16 4.99 -1.09 -0.74 -4.82 121.20 122.56 3i01 s ILE 78 Ca -0.03 1.81 0.22 0.00 -2.23 0.00 0.00 60.65 60.42 3i01 s ILE 78 Cb -0.09 -4.36 -0.27 0.00 -1.58 0.00 0.00 42.46 36.15 3i01 s ILE 78 CO 0.02 -0.36 0.62 0.29 -1.23 0.00 0.00 174.94 174.28 3i01 n LYS 79 N 6.64 0.59 -3.55 2.79 5.02 0.15 -5.02 118.16 124.77 3i01 n LYS 79 Ca 0.12 -0.13 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 3i01 n LYS 79 Cb 0.47 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 3i01 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i01 s ALA 80 N -3.44 -1.29 -0.60 7.82 0.00 -1.21 -5.00 121.76 118.03 3i01 s ALA 80 Ca -0.05 0.18 0.25 0.00 0.00 0.00 0.00 51.96 52.34 3i01 s ALA 80 Cb 0.13 0.83 0.50 0.00 0.00 0.00 0.00 23.12 24.58 3i01 s ALA 80 CO 0.88 -0.76 1.54 1.79 0.00 0.00 0.00 175.76 179.22 3i01 h THR 81 N 2.13 0.00 -3.70 0.00 1.35 -1.92 -3.35 112.91 107.42 3i01 h THR 81 Ca -0.32 -0.64 -0.29 0.00 -0.55 0.00 0.00 66.41 64.61 3i01 h THR 81 Cb 1.28 1.48 -0.15 0.00 -1.73 0.00 0.00 68.15 69.03 3i01 h THR 81 CO 0.39 0.00 -0.67 -1.81 -0.25 0.00 0.00 175.52 173.18 3i01 s ASP 82 N -4.88 1.31 0.00 5.36 1.01 -1.26 -4.87 116.67 113.35 3i01 s ASP 82 Ca 0.08 -1.13 0.00 0.00 0.71 0.00 0.00 52.55 52.21 3i01 s ASP 82 Cb 0.11 0.09 0.00 0.00 1.01 0.00 0.00 42.92 44.13 3i01 s ASP 82 CO 0.67 -0.52 0.00 0.61 0.21 0.00 0.00 175.17 176.14 3i01 n GLY 83 N -0.21 -2.73 0.03 0.21 0.00 -1.26 -4.17 105.19 97.05 3i01 n GLY 83 Ca -0.08 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.27 3i01 n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i01 n PRO 84 N -0.35 0.04 -0.08 1.61 -0.05 -1.26 -1.74 135.00 133.17 3i01 n PRO 84 Ca 0.00 0.26 0.11 0.00 -0.05 0.00 0.00 63.50 63.81 3i01 n PRO 84 Cb 0.00 -1.58 0.36 0.00 -0.05 0.00 0.00 33.50 32.23 3i01 n PRO 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3i01 n GLY 85 N 0.19 0.42 0.73 0.55 0.00 -1.26 -4.28 105.19 101.53 3i01 n GLY 85 Ca 0.04 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3i01 n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i01 n SER 86 N 0.44 2.24 -4.22 1.61 3.41 -0.71 -0.67 113.62 115.71 3i01 n SER 86 Ca 0.17 -1.76 -0.13 0.00 -0.26 0.00 0.00 58.87 56.89 3i01 n SER 86 Cb 0.36 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 3i01 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i01 s ARG 87 N -1.86 1.00 1.18 4.33 0.52 -1.26 -4.39 118.95 118.47 3i01 s ARG 87 Ca 0.34 -1.43 -0.14 0.00 -0.52 0.00 0.00 55.73 53.98 3i01 s ARG 87 Cb 0.20 -0.44 0.27 0.00 0.52 0.00 0.00 34.95 35.50 3i01 s ARG 87 CO 0.30 0.01 0.85 0.41 0.02 0.00 0.00 175.30 176.90 3i01 n GLY 88 N -0.16 -2.17 0.26 -3.53 0.00 0.42 -4.85 105.19 95.16 3i01 n GLY 88 Ca -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 3i01 n GLY 88 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i01 h ILE 89 N -2.64 1.22 0.00 -0.61 2.04 -1.94 -0.27 117.51 115.30 3i01 h ILE 89 Ca -0.61 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.32 3i01 h ILE 89 Cb 1.34 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 3i01 h ILE 89 CO 0.48 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.93 3i01 n GLY 91 N 1.22 0.36 3.63 0.00 0.00 -0.11 -4.93 105.19 105.36 3i01 n GLY 91 Ca 0.12 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.66 3i01 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n ALA 92 N -1.54 0.25 -1.60 4.61 0.00 -1.26 -4.54 120.51 116.42 3i01 n ALA 92 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 3i01 n ALA 92 Cb 0.00 -2.19 0.13 0.00 0.00 0.00 0.00 19.45 17.38 3i01 n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i01 s SER 93 N 0.46 3.69 0.37 0.00 0.01 -1.26 -0.44 113.70 116.52 3i01 s SER 93 Ca 0.76 0.93 0.08 0.00 1.31 0.00 0.00 55.95 59.03 3i01 s SER 93 Cb -0.78 -1.48 0.71 0.00 0.21 0.00 0.00 66.02 64.68 3i01 s SER 93 CO 0.46 -2.43 1.90 0.00 0.41 0.00 0.00 173.24 173.57 3i01 h ALA 94 N -1.42 1.45 -0.41 1.44 0.00 -1.93 -2.56 119.26 115.82 3i01 h ALA 94 Ca -0.50 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 3i01 h ALA 94 Cb 1.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3i01 h ALA 94 CO 0.63 0.39 -0.08 0.11 0.00 0.00 0.00 179.25 180.29 3i01 h TRP 95 N 0.33 0.78 -0.15 0.00 0.09 -1.93 -2.21 115.95 112.86 3i01 h TRP 95 Ca 0.07 -0.13 -0.15 0.00 0.09 0.00 0.00 58.89 58.77 3i01 h TRP 95 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 29.16 29.39 3i01 h TRP 95 CO 0.01 0.77 -0.54 1.15 0.09 0.00 0.00 178.44 179.92 3i01 h THR 96 N 0.66 1.34 0.00 0.12 2.02 -1.81 -0.96 112.91 114.27 3i01 h THR 96 Ca 0.12 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.49 3i01 h THR 96 Cb 0.53 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3i01 h THR 96 CO 0.03 0.55 -0.00 0.40 0.37 0.00 0.00 175.52 176.87 3i01 h ILE 97 N 0.34 1.30 -0.39 3.11 2.04 -1.34 -1.11 117.51 121.46 3i01 h ILE 97 Ca 0.01 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.02 3i01 h ILE 97 Cb 1.06 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 3i01 h ILE 97 CO 0.10 0.23 0.13 0.58 0.00 0.00 0.00 178.15 179.19 3i01 h VAL 98 N -0.38 0.86 -0.63 1.67 2.07 -1.20 -2.48 116.25 116.16 3i01 h VAL 98 Ca -0.00 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3i01 h VAL 98 Cb 0.38 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3i01 h VAL 98 CO 0.00 0.05 0.29 0.00 0.02 0.00 0.00 177.57 177.93 3i01 h ALA 99 N 1.26 0.81 -0.53 1.67 0.00 -1.06 -1.32 119.26 120.10 3i01 h ALA 99 Ca 0.18 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 99 Cb 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3i01 h ALA 99 CO -0.20 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.47 3i01 h ARG 100 N 0.87 0.15 -0.02 0.00 3.08 -0.99 0.74 114.38 118.20 3i01 h ARG 100 Ca 0.21 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 3i01 h ARG 100 Cb 0.14 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3i01 h ARG 100 CO -0.02 0.10 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.03 3i01 h ASN 101 N 0.15 0.06 -0.55 7.04 2.35 -1.01 0.31 115.58 123.93 3i01 h ASN 101 Ca 0.27 -0.56 -0.11 0.00 -0.55 0.00 0.00 56.30 55.35 3i01 h ASN 101 Cb 0.41 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3i01 h ASN 101 CO -0.42 0.61 -0.07 1.62 -1.65 0.00 0.00 177.43 177.53 3i01 h VAL 102 N -0.48 1.27 -0.68 2.81 3.04 -1.29 -3.07 116.25 117.84 3i01 h VAL 102 Ca 0.00 -1.22 0.04 0.00 -1.01 0.00 0.00 66.70 64.51 3i01 h VAL 102 Cb 0.60 0.93 -0.04 0.00 -2.01 0.00 0.00 31.29 30.77 3i01 h VAL 102 CO 0.01 0.43 0.45 1.23 -1.01 0.00 0.00 177.57 178.68 3i01 h GLY 103 N 0.91 0.92 0.91 3.17 0.00 0.65 -2.11 103.07 107.52 3i01 h GLY 103 Ca 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3i01 h GLY 103 CO 0.04 0.27 0.10 -2.00 0.00 0.00 0.00 176.54 174.96 3i01 h LEU 104 N 0.80 0.36 -0.22 3.11 5.85 -0.35 0.02 115.31 124.88 3i01 h LEU 104 Ca 0.27 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.85 3i01 h LEU 104 Cb 0.09 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3i01 h LEU 104 CO -0.08 0.43 0.07 0.24 -0.34 0.00 0.00 178.44 178.76 3i01 h MET 105 N 0.27 0.16 -0.79 1.25 2.86 -1.31 -2.00 114.93 115.38 3i01 h MET 105 Ca 0.09 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 3i01 h MET 105 Cb 0.18 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 3i01 h MET 105 CO -0.01 0.11 0.46 0.82 1.06 0.00 0.00 176.91 179.35 3i01 h ILE 106 N 0.17 0.96 -0.57 -1.22 2.04 -1.10 -2.23 117.51 115.57 3i01 h ILE 106 Ca 0.10 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 3i01 h ILE 106 Cb 0.07 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 3i01 h ILE 106 CO -0.11 0.15 0.04 -0.07 0.00 0.00 0.00 178.15 178.16 3i01 h LEU 107 N 0.81 0.95 -0.86 1.44 3.38 -0.67 -0.03 115.31 120.33 3i01 h LEU 107 Ca 0.36 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3i01 h LEU 107 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3i01 h LEU 107 CO -0.21 1.01 0.34 0.71 0.09 0.00 0.00 178.44 180.37 3i01 h THR 108 N 0.87 1.26 -0.48 0.22 1.35 -1.17 0.25 112.91 115.20 3i01 h THR 108 Ca 0.17 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 65.20 3i01 h THR 108 Cb 0.50 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.18 3i01 h THR 108 CO 0.02 0.32 0.14 1.23 -0.25 0.00 0.00 175.52 176.98 3i01 h GLY 109 N 1.16 0.81 1.36 5.82 0.00 -0.61 -2.13 103.07 109.48 3i01 h GLY 109 Ca 0.27 -0.49 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 3i01 h GLY 109 CO -0.03 0.46 -0.65 0.00 0.00 0.00 0.00 176.54 176.32 3i01 h ALA 110 N 1.00 0.52 -0.02 3.60 0.00 -0.91 -0.03 119.26 123.42 3i01 h ALA 110 Ca 0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3i01 h ALA 110 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i01 h ALA 110 CO -0.00 0.70 -0.38 0.00 0.00 0.00 0.00 179.25 179.57 3i01 h ALA 111 N 0.80 1.34 -0.06 0.00 0.00 -0.91 -0.32 119.26 120.10 3i01 h ALA 111 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3i01 h ALA 111 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i01 h ALA 111 CO 0.13 0.49 -0.13 0.00 0.00 0.00 0.00 179.25 179.74 3i01 h ALA 112 N 1.59 0.10 0.00 0.00 0.00 -1.03 -1.56 119.26 118.36 3i01 h ALA 112 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3i01 h ALA 112 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3i01 h ALA 112 CO 0.05 -0.01 -0.29 0.45 0.00 0.00 0.00 179.25 179.45 3i01 h HIS 113 N -0.31 0.00 -0.22 0.00 3.86 -0.87 -2.25 115.15 115.35 3i01 h HIS 113 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3i01 h HIS 113 Cb 0.72 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 3i01 h HIS 113 CO 0.12 0.29 -0.07 0.00 0.86 0.00 0.00 177.93 179.13 3i01 h GLU 115 N 0.16 0.77 -0.03 0.00 4.22 -1.18 0.79 114.58 119.30 3i01 h GLU 115 Ca 0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 3i01 h GLU 115 Cb 0.54 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i01 h GLU 115 CO 0.03 0.59 0.02 1.25 -2.18 0.00 0.00 179.01 178.71 3i01 h HIS 116 N 0.74 0.05 -0.65 0.92 2.76 -1.29 0.02 115.15 117.70 3i01 h HIS 116 Ca 0.19 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3i01 h HIS 116 Cb 0.05 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 3i01 h HIS 116 CO -0.01 0.16 0.41 0.78 -1.30 0.00 0.00 177.93 177.97 3i01 h GLY 117 N -0.07 0.94 1.75 5.26 0.00 -1.08 -2.41 103.07 107.45 3i01 h GLY 117 Ca 0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3i01 h GLY 117 CO -0.00 0.36 -0.27 -0.57 0.00 0.00 0.00 176.54 176.07 3i01 h ASN 118 N 0.89 0.29 -0.00 0.19 -0.00 -0.60 -0.57 115.58 115.78 3i01 h ASN 118 Ca 0.24 -0.09 -0.00 0.00 -0.00 0.00 0.00 56.30 56.44 3i01 h ASN 118 Cb -0.06 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.18 3i01 h ASN 118 CO -0.05 0.56 -0.00 -0.74 -0.00 0.00 0.00 177.43 177.20 3i01 h HIS 119 N 0.26 0.01 -0.14 0.67 2.76 -0.88 -0.63 115.15 117.21 3i01 h HIS 119 Ca 0.04 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3i01 h HIS 119 Cb 0.61 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 3i01 h HIS 119 CO 0.01 0.56 0.09 0.82 -1.30 0.00 0.00 177.93 178.11 3i01 h ILE 120 N -0.55 1.05 -0.60 6.26 2.04 -1.30 -0.86 117.51 123.55 3i01 h ILE 120 Ca 0.00 -0.12 0.12 0.00 1.00 0.00 0.00 64.86 65.86 3i01 h ILE 120 Cb 0.56 0.89 -0.12 0.00 -0.74 0.00 0.00 36.82 37.42 3i01 h ILE 120 CO 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 178.15 178.02 3i01 h ALA 121 N 1.03 0.34 -0.81 1.87 0.00 -1.16 -1.34 119.26 119.19 3i01 h ALA 121 Ca 0.05 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3i01 h ALA 121 Cb 0.01 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3i01 h ALA 121 CO -0.01 -0.46 0.51 1.25 0.00 0.00 0.00 179.25 180.53 3i01 h HIS 122 N -0.03 0.95 -0.05 0.00 -0.00 -0.83 -2.75 115.15 112.44 3i01 h HIS 122 Ca 0.28 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.49 3i01 h HIS 122 Cb 0.47 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 3i01 h HIS 122 CO -0.52 0.52 -0.79 0.00 -0.00 0.00 0.00 177.93 177.14 3i01 h ALA 123 N 1.36 0.55 -0.15 5.26 0.00 -0.93 -1.30 119.26 124.05 3i01 h ALA 123 Ca 0.33 -0.64 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 123 Cb 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3i01 h ALA 123 CO -0.13 0.79 -0.23 1.25 0.00 0.00 0.00 179.25 180.93 3i01 h LEU 124 N 0.24 -0.73 -0.75 0.00 5.85 -1.13 -1.02 115.31 117.77 3i01 h LEU 124 Ca -0.04 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3i01 h LEU 124 Cb 1.38 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 42.69 3i01 h LEU 124 CO 0.13 -0.28 0.47 0.58 -0.34 0.00 0.00 178.44 179.00 3i01 h VAL 125 N -0.28 1.10 -0.47 1.05 2.07 -1.43 -0.51 116.25 117.78 3i01 h VAL 125 Ca 0.11 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3i01 h VAL 125 Cb 0.45 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3i01 h VAL 125 CO -0.32 0.17 0.26 -0.33 0.02 0.00 0.00 177.57 177.37 3i01 h GLU 126 N 0.92 0.66 0.02 1.57 4.39 -0.97 -1.72 114.58 119.44 3i01 h GLU 126 Ca 0.30 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.95 3i01 h GLU 126 Cb 0.03 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 3i01 h GLU 126 CO -0.12 0.52 -0.23 1.98 -1.16 0.00 0.00 179.01 180.00 3i01 h MET 127 N 0.62 -0.36 0.00 2.33 4.05 -1.08 -1.23 114.93 119.26 3i01 h MET 127 Ca 0.17 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3i01 h MET 127 Cb 0.05 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 3i01 h MET 127 CO -0.03 -0.24 -0.06 0.00 0.23 0.00 0.00 176.91 176.81 3i01 h ALA 128 N 0.47 1.29 -0.41 0.39 0.00 -0.76 -1.38 119.26 118.85 3i01 h ALA 128 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 128 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i01 h ALA 128 CO -0.19 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.53 3i01 n GLU 129 N -3.58 2.04 -1.09 0.00 1.02 -0.68 -4.83 120.64 113.52 3i01 n GLU 129 Ca -0.02 -1.52 -0.03 0.00 -0.02 0.00 0.00 57.16 55.56 3i01 n GLU 129 Cb 0.17 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 3i01 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i01 n GLY 130 N 1.12 0.64 0.75 0.62 0.00 -0.52 -4.93 105.19 102.86 3i01 n GLY 130 Ca 0.14 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.59 3i01 n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i01 n LYS 131 N -2.69 2.05 -3.19 1.61 5.02 -0.48 -4.69 118.16 115.79 3i01 n LYS 131 Ca -0.03 -1.87 -0.24 0.00 -2.02 0.00 0.00 58.31 54.15 3i01 n LYS 131 Cb 0.13 -1.33 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 3i01 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i01 n ALA 132 N 0.87 2.35 0.30 7.82 0.00 -1.21 -4.18 120.51 126.46 3i01 n ALA 132 Ca 0.13 -3.34 0.19 0.00 0.00 0.00 0.00 53.44 50.41 3i01 n ALA 132 Cb 0.44 -0.82 0.95 0.00 0.00 0.00 0.00 19.45 20.02 3i01 n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i01 h PRO 133 N 4.05 0.00 0.00 0.00 0.13 -1.83 -1.70 132.00 132.64 3i01 h PRO 133 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3i01 h PRO 133 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3i01 h PRO 133 CO 0.45 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.97 3i01 n ASP 134 N -2.86 0.00 -4.64 1.44 8.00 -1.26 -4.83 116.55 112.40 3i01 n ASP 134 Ca -0.02 -1.02 -0.26 0.00 0.71 0.00 0.00 54.79 54.21 3i01 n ASP 134 Cb 0.12 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 3i01 n ASP 134 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i01 s TYR 135 N -2.00 2.54 -0.02 1.24 1.51 -0.64 -5.03 117.35 114.94 3i01 s TYR 135 Ca 0.45 -0.55 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 3i01 s TYR 135 Cb 0.21 -1.68 0.11 0.00 -0.11 0.00 0.00 41.96 40.48 3i01 s TYR 135 CO 0.35 0.41 1.00 -1.54 -1.11 0.00 0.00 175.55 174.66 3i01 s SER 136 N -3.75 -0.26 -0.66 2.29 1.04 -1.26 -5.00 113.70 106.10 3i01 s SER 136 Ca 0.36 -0.07 -0.27 0.00 0.48 0.00 0.00 55.95 56.45 3i01 s SER 136 Cb 0.04 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.51 3i01 s SER 136 CO 0.19 -0.55 1.39 -0.69 0.98 0.00 0.00 173.24 174.56 3i01 s VAL 137 N -2.93 3.72 -0.74 5.02 1.01 -1.26 -4.32 120.40 120.89 3i01 s VAL 137 Ca 0.08 0.50 0.25 0.00 0.00 0.00 0.00 61.98 62.81 3i01 s VAL 137 Cb -0.01 -4.63 0.05 0.00 0.00 0.00 0.00 36.38 31.80 3i01 s VAL 137 CO -0.06 -1.48 1.38 0.29 0.00 0.00 0.00 175.10 175.23 3i01 n LYS 138 N 9.06 0.21 -3.70 2.72 5.02 0.48 -4.59 118.16 127.36 3i01 n LYS 138 Ca 0.09 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.15 3i01 n LYS 138 Cb 0.49 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.74 3i01 n LYS 138 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i01 s ASP 139 N -3.90 3.65 0.22 4.39 3.68 -0.56 -4.65 116.67 119.50 3i01 s ASP 139 Ca 0.08 -2.53 0.04 0.00 2.13 0.00 0.00 52.55 52.27 3i01 s ASP 139 Cb 0.15 -0.99 0.21 0.00 -1.45 0.00 0.00 42.92 40.83 3i01 s ASP 139 CO 0.70 -0.28 1.53 -0.33 0.13 0.00 0.00 175.17 176.92 3i01 h GLU 140 N 6.85 0.24 -0.78 4.34 5.08 -1.86 -1.77 114.58 126.68 3i01 h GLU 140 Ca -0.02 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3i01 h GLU 140 Cb 0.94 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 3i01 h GLU 140 CO 0.47 0.80 0.40 0.00 -1.00 0.00 0.00 179.01 179.68 3i01 h ALA 141 N 1.15 1.00 -0.58 3.43 0.00 -1.99 -0.74 119.26 121.54 3i01 h ALA 141 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3i01 h ALA 141 Cb 1.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3i01 h ALA 141 CO 0.10 0.54 0.04 -0.22 0.00 0.00 0.00 179.25 179.71 3i01 h LYS 142 N 1.09 1.01 -0.15 0.00 1.63 -1.88 -1.55 116.57 116.72 3i01 h LYS 142 Ca 0.27 -0.30 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3i01 h LYS 142 Cb 0.08 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3i01 h LYS 142 CO -0.04 0.98 0.05 1.25 -3.45 0.00 0.00 179.45 178.24 3i01 h LEU 143 N 0.90 0.05 -0.75 5.20 5.85 -1.08 0.26 115.31 125.75 3i01 h LEU 143 Ca 0.17 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.81 3i01 h LEU 143 Cb 0.50 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3i01 h LEU 143 CO 0.02 0.05 -0.11 0.11 -0.34 0.00 0.00 178.44 178.17 3i01 h LYS 144 N 0.12 0.84 -0.04 1.25 1.57 -1.08 -0.21 116.57 119.02 3i01 h LYS 144 Ca 0.06 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3i01 h LYS 144 Cb 0.04 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3i01 h LYS 144 CO -0.07 0.91 0.02 1.49 -0.57 0.00 0.00 179.45 181.23 3i01 h GLU 145 N 0.75 0.06 -0.45 3.15 4.57 -1.00 -1.18 114.58 120.48 3i01 h GLU 145 Ca 0.12 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3i01 h GLU 145 Cb 0.62 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 3i01 h GLU 145 CO 0.04 0.18 0.24 0.28 -1.18 0.00 0.00 179.01 178.58 3i01 h VAL 146 N -0.08 1.00 -0.29 0.32 2.07 -0.46 -2.00 116.25 116.80 3i01 h VAL 146 Ca 0.01 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.43 3i01 h VAL 146 Cb 0.15 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.33 3i01 h VAL 146 CO -0.00 0.09 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 3i01 h ARG 148 N -0.00 -0.00 -0.73 0.00 9.65 -1.11 0.14 114.38 122.33 3i01 h ARG 148 Ca 0.14 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 59.16 3i01 h ARG 148 Cb 0.22 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 28.70 3i01 h ARG 148 CO -0.30 -0.00 0.26 -0.09 2.80 0.00 0.00 179.97 182.63 3i01 h ARG 149 N -0.00 0.38 -0.32 0.20 2.43 -1.11 -0.50 114.38 115.46 3i01 h ARG 149 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3i01 h ARG 149 Cb 0.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3i01 h ARG 149 CO -0.28 0.25 0.00 1.33 -1.51 0.00 0.00 179.97 179.76 3i01 n VAL 150 N -5.04 0.43 -0.86 0.20 0.24 -0.79 -4.90 118.33 107.60 3i01 n VAL 150 Ca 0.14 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3i01 n VAL 150 Cb 0.41 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 3i01 n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i01 n GLY 151 N 0.92 0.48 3.76 7.63 0.00 -0.20 -5.03 105.19 112.75 3i01 n GLY 151 Ca 0.10 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 3i01 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 152 N -2.00 4.92 -0.22 -0.61 1.01 0.44 -4.99 121.20 119.75 3i01 s ILE 152 Ca 0.00 1.28 -0.27 0.00 0.00 0.00 0.00 60.65 61.66 3i01 s ILE 152 Cb 0.00 -3.95 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 3i01 s ILE 152 CO 0.00 0.40 0.93 -0.70 0.00 0.00 0.00 174.94 175.56 3i01 s GLU 153 N -0.06 4.24 0.04 2.79 -6.30 -1.26 -4.10 118.70 114.06 3i01 s GLU 153 Ca 0.32 1.15 0.03 0.00 -2.50 0.00 0.00 54.97 53.97 3i01 s GLU 153 Cb -0.18 -3.63 -0.25 0.00 0.00 0.00 0.00 34.13 30.07 3i01 s GLU 153 CO 0.17 -0.52 1.00 0.28 0.02 0.00 0.00 175.26 176.21 3i01 h VAL 154 N 5.38 1.33 -3.52 3.70 2.07 -1.94 -3.47 116.25 119.81 3i01 h VAL 154 Ca -0.23 -3.03 -0.53 0.00 0.82 0.00 0.00 66.70 63.73 3i01 h VAL 154 Cb 1.09 2.75 0.09 0.00 -1.52 0.00 0.00 31.29 33.70 3i01 h VAL 154 CO 0.91 0.82 0.84 -1.61 0.02 0.00 0.00 177.57 178.55 3i01 s GLU 155 N -2.65 4.14 -0.79 1.57 2.02 -1.26 -2.79 118.70 118.94 3i01 s GLU 155 Ca -0.04 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.48 3i01 s GLU 155 Cb 0.08 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.29 3i01 s GLU 155 CO 0.84 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.96 3i01 n GLY 156 N 1.67 0.95 3.33 -1.39 0.00 -1.26 -5.02 105.19 103.47 3i01 n GLY 156 Ca 0.06 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 3i01 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i01 s LYS 157 N -2.49 2.47 0.86 1.61 1.02 -1.12 -5.13 119.74 116.97 3i01 s LYS 157 Ca 0.00 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.02 3i01 s LYS 157 Cb 0.00 -2.21 0.11 0.00 -0.52 0.00 0.00 37.83 35.21 3i01 s LYS 157 CO 0.00 0.47 1.10 -1.54 -0.92 0.00 0.00 175.35 174.46 3i01 s SER 158 N -0.38 3.82 0.54 2.83 1.04 -1.26 -4.86 113.70 115.42 3i01 s SER 158 Ca 0.03 1.38 0.31 0.00 0.48 0.00 0.00 55.95 58.16 3i01 s SER 158 Cb -0.12 -2.08 1.52 0.00 0.10 0.00 0.00 66.02 65.44 3i01 s SER 158 CO 0.02 -2.41 2.07 -0.37 0.98 0.00 0.00 173.24 173.53 3i01 h VAL 159 N -1.39 0.36 0.04 5.02 -1.51 -1.99 -2.28 116.25 114.50 3i01 h VAL 159 Ca -0.49 -0.52 -0.27 0.00 -1.23 0.00 0.00 66.70 64.19 3i01 h VAL 159 Cb 1.28 1.38 0.02 0.00 -2.13 0.00 0.00 31.29 31.84 3i01 h VAL 159 CO 0.57 0.09 -1.09 -0.07 -1.23 0.00 0.00 177.57 175.84 3i01 h LEU 160 N 0.00 0.79 -1.45 4.19 3.38 -1.92 -1.48 115.31 118.82 3i01 h LEU 160 Ca -0.00 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 3i01 h LEU 160 Cb 0.37 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3i01 h LEU 160 CO 0.01 1.47 -0.02 -0.08 0.09 0.00 0.00 178.44 179.92 3i01 h GLU 161 N 0.31 0.33 -0.20 1.13 4.81 -1.78 -1.72 114.58 117.46 3i01 h GLU 161 Ca -0.14 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 3i01 h GLU 161 Cb 1.75 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.08 3i01 h GLU 161 CO 0.20 0.38 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.24 3i01 h LEU 162 N 0.33 0.84 0.07 1.64 3.38 -1.32 -1.20 115.31 119.04 3i01 h LEU 162 Ca 0.07 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.49 3i01 h LEU 162 Cb 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3i01 h LEU 162 CO 0.01 1.27 -0.21 0.00 0.09 0.00 0.00 178.44 179.59 3i01 h ALA 163 N 0.59 -0.32 -0.24 1.53 0.00 -1.06 0.24 119.26 119.99 3i01 h ALA 163 Ca -0.01 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i01 h ALA 163 Cb 1.18 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 3i01 h ALA 163 CO 0.12 -0.73 -0.12 0.37 0.00 0.00 0.00 179.25 178.89 3i01 h GLN 164 N -0.37 -0.08 -0.27 0.00 4.15 -1.31 -1.53 115.11 115.68 3i01 h GLN 164 Ca 0.04 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3i01 h GLN 164 Cb 0.42 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3i01 h GLN 164 CO -0.15 -0.06 0.06 1.49 -1.93 0.00 0.00 178.83 178.24 3i01 h GLU 165 N -0.09 0.44 -0.51 1.69 4.81 -1.00 -0.16 114.58 119.76 3i01 h GLU 165 Ca 0.13 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3i01 h GLU 165 Cb 0.28 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3i01 h GLU 165 CO -0.30 0.54 0.00 -0.24 -0.73 0.00 0.00 179.01 178.29 3i01 h VAL 166 N 0.27 1.26 -0.27 0.32 3.04 -0.53 -1.86 116.25 118.49 3i01 h VAL 166 Ca 0.08 -1.08 0.06 0.00 -1.01 0.00 0.00 66.70 64.75 3i01 h VAL 166 Cb 0.31 0.95 -0.05 0.00 -2.01 0.00 0.00 31.29 30.48 3i01 h VAL 166 CO 0.00 0.38 -0.08 1.23 -1.01 0.00 0.00 177.57 178.09 3i01 h GLY 167 N 0.77 0.17 0.83 3.17 0.00 -1.24 -1.59 103.07 105.17 3i01 h GLY 167 Ca 0.15 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.63 3i01 h GLY 167 CO 0.03 -0.12 0.61 0.83 0.00 0.00 0.00 176.54 177.89 3i01 h GLU 168 N -0.03 1.12 -0.87 4.80 5.08 -0.98 -1.15 114.58 122.55 3i01 h GLU 168 Ca 0.13 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3i01 h GLU 168 Cb 0.23 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3i01 h GLU 168 CO -0.29 0.74 0.56 -0.22 -1.00 0.00 0.00 179.01 178.80 3i01 h LYS 169 N 1.15 1.16 -0.61 2.33 1.63 -0.60 -2.07 116.57 119.55 3i01 h LYS 169 Ca 0.38 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 60.03 3i01 h LYS 169 Cb 0.06 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 3i01 h LYS 169 CO -0.14 0.78 0.10 0.00 -3.45 0.00 0.00 179.45 176.73 3i01 h ALA 170 N 1.31 0.81 -0.04 5.00 0.00 -1.04 -2.82 119.26 122.48 3i01 h ALA 170 Ca 0.32 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3i01 h ALA 170 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3i01 h ALA 170 CO -0.07 0.56 -0.32 -0.07 0.00 0.00 0.00 179.25 179.36 3i01 h LEU 171 N 0.91 0.07 -1.22 0.00 3.38 -0.56 -0.97 115.31 116.91 3i01 h LEU 171 Ca 0.18 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3i01 h LEU 171 Cb 0.43 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3i01 h LEU 171 CO 0.01 0.39 0.55 -0.33 0.09 0.00 0.00 178.44 179.14 3i01 h GLU 172 N 0.06 0.95 0.00 1.13 5.08 -1.16 -1.87 114.58 118.77 3i01 h GLU 172 Ca 0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3i01 h GLU 172 Cb 0.60 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3i01 h GLU 172 CO 0.04 0.63 -0.24 -0.44 -1.00 0.00 0.00 179.01 178.00 3i01 h ASP 173 N 0.98 0.00 -0.29 1.42 3.32 -1.10 -1.64 116.42 119.11 3i01 h ASP 173 Ca 0.34 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.21 3i01 h ASP 173 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3i01 h ASP 173 CO -0.11 0.24 -0.54 -0.26 -1.72 0.00 0.00 179.24 176.85 3i01 h PHE 174 N 0.00 1.11 0.00 4.55 -1.00 -1.22 0.48 116.94 120.86 3i01 h PHE 174 Ca -0.00 -0.39 -0.20 0.00 2.81 0.00 0.00 57.97 60.19 3i01 h PHE 174 Cb 0.59 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 3i01 h PHE 174 CO 0.00 1.23 -0.98 0.00 -1.61 0.00 0.00 178.31 176.94 3i01 h ARG 175 N 0.68 0.00 -6.76 1.51 3.08 -1.04 -3.26 114.38 108.59 3i01 h ARG 175 Ca 0.02 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.51 3i01 h ARG 175 Cb 1.15 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.30 3i01 h ARG 175 CO 0.12 0.83 0.67 -2.13 -1.07 0.00 0.00 179.97 178.38 3i01 n ARG 176 N -3.28 2.35 -3.14 0.04 0.63 -0.65 -4.91 116.66 107.70 3i01 n ARG 176 Ca -0.02 0.83 -0.18 0.00 -0.92 0.00 0.00 57.85 57.56 3i01 n ARG 176 Cb 0.91 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 31.32 3i01 n ARG 176 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i01 s LEU 177 N -0.87 3.57 0.10 6.15 1.43 -1.26 -2.83 118.68 124.96 3i01 s LEU 177 Ca 0.60 -0.52 -0.36 0.00 -1.03 0.00 0.00 54.13 52.82 3i01 s LEU 177 Cb -0.55 -2.47 -0.17 0.00 0.03 0.00 0.00 46.19 43.03 3i01 s LEU 177 CO 0.57 -0.76 1.28 1.17 0.23 0.00 0.00 176.35 178.84 3i01 n LYS 178 N -1.80 1.06 -0.97 1.70 4.81 -1.26 -1.30 118.16 120.40 3i01 n LYS 178 Ca 0.07 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 3i01 n LYS 178 Cb 0.60 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.66 3i01 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i01 n GLY 179 N 2.35 0.02 0.12 3.14 0.00 -1.26 -4.89 105.19 104.68 3i01 n GLY 179 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 3i01 n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i01 n GLU 180 N 0.66 0.84 0.00 1.61 1.02 -0.42 -5.06 120.64 119.29 3i01 n GLU 180 Ca 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 3i01 n GLU 180 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3i01 n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i01 n GLY 181 N 1.21 0.96 3.18 0.62 0.00 -1.26 -4.95 105.19 104.96 3i01 n GLY 181 Ca 0.17 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 3i01 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i01 s GLU 182 N -1.92 1.31 0.01 1.61 2.02 -1.26 -4.20 118.70 116.27 3i01 s GLU 182 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 3i01 s GLU 182 Cb 0.00 -1.32 -0.09 0.00 0.10 0.00 0.00 34.13 32.82 3i01 s GLU 182 CO 0.00 0.35 1.98 0.00 0.02 0.00 0.00 175.26 177.61 3i01 n ALA 183 N 2.29 1.52 0.01 5.21 0.00 0.17 -4.91 120.51 124.79 3i01 n ALA 183 Ca -0.16 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 3i01 n ALA 183 Cb 0.54 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 3i01 n ALA 183 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i01 h THR 184 N 5.71 0.60 0.00 0.00 2.02 -1.91 -1.74 112.91 117.59 3i01 h THR 184 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3i01 h THR 184 Cb 1.24 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3i01 h THR 184 CO 0.94 0.00 0.00 0.79 0.37 0.00 0.00 175.52 177.62 3i01 n TRP 185 N -5.30 0.45 -0.06 3.16 8.01 -1.26 -1.52 117.44 120.92 3i01 n TRP 185 Ca -0.03 0.17 -0.05 0.00 -1.31 0.00 0.00 57.50 56.28 3i01 n TRP 185 Cb 0.21 -0.78 -0.05 0.00 -2.01 0.00 0.00 31.31 28.69 3i01 n TRP 185 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 3i01 h LEU 186 N 0.00 -0.00 -0.96 -0.99 5.85 -1.84 -3.36 115.31 114.02 3i01 h LEU 186 Ca 0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3i01 h LEU 186 Cb 0.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3i01 h LEU 186 CO 0.00 0.67 -0.12 0.24 -0.34 0.00 0.00 178.44 178.89 3i01 h MET 187 N -1.00 0.00 -0.26 1.25 2.86 -0.88 -2.37 114.93 114.53 3i01 h MET 187 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i01 h MET 187 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3i01 h MET 187 CO 0.00 0.12 0.00 0.25 1.06 0.00 0.00 176.91 178.34 3i01 n THR 188 N -3.22 0.32 0.02 2.22 -2.24 -0.58 -4.10 114.28 106.70 3i01 n THR 188 Ca 0.01 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3i01 n THR 188 Cb 0.43 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3i01 n THR 188 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i01 n THR 189 N 1.28 0.16 -4.30 4.28 -2.24 -0.90 -4.95 114.28 107.61 3i01 n THR 189 Ca 0.18 -0.58 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 3i01 n THR 189 Cb 0.57 0.93 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 3i01 n THR 189 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3i01 s ILE 190 N -0.20 3.13 0.90 2.28 -4.36 -1.17 -4.81 121.20 116.97 3i01 s ILE 190 Ca 0.01 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.31 3i01 s ILE 190 Cb 0.00 -2.79 0.16 0.00 1.25 0.00 0.00 42.46 41.09 3i01 s ILE 190 CO 0.01 -0.32 1.26 0.54 0.24 0.00 0.00 174.94 176.67 3i01 s ASN 191 N -3.69 3.57 0.21 4.36 4.22 -1.26 -4.90 114.94 117.45 3i01 s ASN 191 Ca 0.33 0.34 -0.06 0.00 -2.14 0.00 0.00 52.86 51.32 3i01 s ASN 191 Cb -0.04 -0.52 0.17 0.00 1.28 0.00 0.00 41.25 42.13 3i01 s ASN 191 CO 0.20 -2.45 1.70 -0.33 -2.04 0.00 0.00 177.10 174.18 3i01 h GLU 192 N -1.40 1.00 0.02 3.55 4.39 -1.97 -2.67 114.58 117.51 3i01 h GLU 192 Ca -0.44 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.00 3i01 h GLU 192 Cb 1.26 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 3i01 h GLU 192 CO 0.45 0.95 -0.17 0.78 -1.16 0.00 0.00 179.01 179.86 3i01 h GLY 193 N 1.01 -0.24 1.44 -3.84 0.00 -1.94 -1.02 103.07 98.48 3i01 h GLY 193 Ca 0.18 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 3i01 h GLY 193 CO 0.02 -0.16 0.24 3.21 0.00 0.00 0.00 176.54 179.85 3i01 h ARG 194 N -0.29 0.73 -0.29 4.80 2.47 -1.90 -2.20 114.38 117.70 3i01 h ARG 194 Ca 0.05 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3i01 h ARG 194 Cb 0.35 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 3i01 h ARG 194 CO -0.15 0.57 0.05 0.87 0.56 0.00 0.00 179.97 181.87 3i01 h LYS 195 N 0.73 0.48 -0.51 0.04 1.57 -1.20 0.19 116.57 117.88 3i01 h LYS 195 Ca 0.18 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3i01 h LYS 195 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3i01 h LYS 195 CO -0.02 0.59 0.03 0.93 -0.57 0.00 0.00 179.45 180.41 3i01 h GLU 196 N 0.30 0.82 -0.09 3.15 4.39 -1.17 0.93 114.58 122.90 3i01 h GLU 196 Ca 0.09 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3i01 h GLU 196 Cb 0.34 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3i01 h GLU 196 CO 0.01 0.81 0.01 -0.22 -1.16 0.00 0.00 179.01 178.45 3i01 h LYS 197 N 0.77 0.16 -0.04 2.33 1.63 -1.12 0.31 116.57 120.61 3i01 h LYS 197 Ca 0.16 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.78 3i01 h LYS 197 Cb 0.42 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3i01 h LYS 197 CO 0.02 0.39 -0.56 0.74 -3.45 0.00 0.00 179.45 176.58 3i01 h PHE 198 N -0.10 0.14 -0.11 1.91 0.05 -0.85 -1.25 116.94 116.73 3i01 h PHE 198 Ca 0.03 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.74 3i01 h PHE 198 Cb 0.31 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.23 3i01 h PHE 198 CO 0.02 0.65 -0.03 0.00 -0.18 0.00 0.00 178.31 178.77 3i01 h ARG 199 N 0.08 0.21 0.00 1.51 3.08 -0.66 -1.60 114.38 117.01 3i01 h ARG 199 Ca -0.00 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3i01 h ARG 199 Cb 1.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3i01 h ARG 199 CO 0.08 0.52 -0.30 1.79 -1.07 0.00 0.00 179.97 181.00 3i01 h THR 200 N -0.11 1.07 -0.01 2.04 1.35 -0.85 -2.51 112.91 113.88 3i01 h THR 200 Ca 0.03 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3i01 h THR 200 Cb 0.45 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3i01 h THR 200 CO 0.01 0.29 -0.05 1.41 -0.25 0.00 0.00 175.52 176.94 3i01 n HIS 201 N -3.97 0.00 -3.80 4.73 8.25 -0.48 -4.97 115.22 114.97 3i01 n HIS 201 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 3i01 n HIS 201 Cb 0.36 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.46 3i01 n HIS 201 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i01 n ASN 202 N 0.06 -0.78 -0.06 0.41 5.15 -0.69 -4.90 115.26 114.44 3i01 n ASN 202 Ca 0.18 -0.90 0.02 0.00 -0.60 0.00 0.00 54.58 53.28 3i01 n ASN 202 Cb 0.36 -3.64 0.03 0.00 -0.53 0.00 0.00 39.78 36.00 3i01 n ASN 202 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3i01 n VAL 203 N -4.32 0.91 -1.80 3.44 0.24 -0.69 -4.95 118.33 111.15 3i01 n VAL 203 Ca -0.31 -0.99 -0.42 0.00 -2.04 0.00 0.00 64.34 60.58 3i01 n VAL 203 Cb 0.68 0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 3i01 n VAL 203 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i01 s VAL 204 N -1.13 3.14 0.26 3.34 1.01 -1.22 -4.29 120.40 121.51 3i01 s VAL 204 Ca 0.07 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 3i01 s VAL 204 Cb 0.06 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.18 3i01 s VAL 204 CO 0.01 -0.02 1.32 -2.16 0.00 0.00 0.00 175.10 174.25 3i01 s PRO 205 N 4.01 4.37 -0.04 2.72 0.04 -1.26 -4.91 135.00 139.93 3i01 s PRO 205 Ca 0.82 2.15 -0.00 0.00 0.04 0.00 0.00 61.00 64.01 3i01 s PRO 205 Cb -0.40 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 3i01 s PRO 205 CO 0.37 -0.24 -0.00 0.27 0.04 0.00 0.00 177.00 177.44 3i01 h PHE 206 N 4.50 0.00 -3.70 0.56 -0.00 -1.89 0.52 116.94 116.93 3i01 h PHE 206 Ca -0.47 0.00 -0.41 0.00 -0.00 0.00 0.00 57.97 57.10 3i01 h PHE 206 Cb 1.22 0.00 -0.19 0.00 -0.00 0.00 0.00 35.95 36.98 3i01 h PHE 206 CO 0.59 0.00 -0.76 0.20 -0.00 0.00 0.00 178.31 178.34 3i01 s GLY 207 N -2.65 1.00 -0.02 6.09 0.00 -1.13 -3.11 107.32 107.50 3i01 s GLY 207 Ca -0.00 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 3i01 s GLY 207 CO 0.00 -1.26 1.06 -2.22 0.00 0.00 0.00 173.10 170.68 3i01 h ILE 208 N 3.73 0.73 -0.64 0.90 2.04 -1.03 -1.92 117.51 121.32 3i01 h ILE 208 Ca -0.40 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3i01 h ILE 208 Cb 1.19 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 3i01 h ILE 208 CO 0.48 0.15 0.41 0.45 0.00 0.00 0.00 178.15 179.64 3i01 h HIS 209 N -0.82 0.83 -0.06 1.37 3.86 -1.82 -2.45 115.15 116.06 3i01 h HIS 209 Ca -0.03 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.09 3i01 h HIS 209 Cb 0.51 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i01 h HIS 209 CO 0.05 0.54 -0.37 0.00 0.86 0.00 0.00 177.93 179.01 3i01 h ALA 210 N 1.22 1.27 -0.63 2.45 0.00 -1.79 -1.43 119.26 120.36 3i01 h ALA 210 Ca 0.23 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3i01 h ALA 210 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3i01 h ALA 210 CO -0.05 0.52 0.15 0.77 0.00 0.00 0.00 179.25 180.64 3i01 h SER 211 N 0.10 0.95 -0.10 0.00 0.02 -1.23 -1.77 113.55 111.52 3i01 h SER 211 Ca 0.01 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3i01 h SER 211 Cb 0.71 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3i01 h SER 211 CO 0.05 0.94 0.05 0.40 -1.14 0.00 0.00 176.83 177.13 3i01 h ILE 212 N 0.92 1.12 -0.20 3.27 2.04 -1.23 -3.10 117.51 120.34 3i01 h ILE 212 Ca 0.20 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 3i01 h ILE 212 Cb 0.36 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3i01 h ILE 212 CO 0.00 0.11 -0.26 -1.28 0.00 0.00 0.00 178.15 176.73 3i01 h SER 213 N 0.03 0.38 -0.65 1.72 0.87 -1.32 -2.12 113.55 112.46 3i01 h SER 213 Ca 0.03 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 3i01 h SER 213 Cb 0.14 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3i01 h SER 213 CO -0.00 0.64 0.15 -0.08 -0.53 0.00 0.00 176.83 177.00 3i01 h GLU 214 N 0.34 1.07 -0.21 2.24 4.57 -1.27 -0.96 114.58 120.35 3i01 h GLU 214 Ca 0.05 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 57.88 3i01 h GLU 214 Cb 0.63 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3i01 h GLU 214 CO 0.05 0.95 -0.22 1.25 -1.18 0.00 0.00 179.01 179.86 3i01 h LEU 215 N 1.01 0.56 -0.54 1.64 5.85 -1.35 -1.03 115.31 121.46 3i01 h LEU 215 Ca 0.21 -0.48 0.11 0.00 0.84 0.00 0.00 57.88 58.56 3i01 h LEU 215 Cb 0.38 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 3i01 h LEU 215 CO 0.00 0.92 -0.03 0.58 -0.34 0.00 0.00 178.44 179.57 3i01 h VAL 216 N 0.21 0.54 0.07 1.05 2.07 -1.31 -0.38 116.25 118.50 3i01 h VAL 216 Ca 0.03 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3i01 h VAL 216 Cb 0.77 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3i01 h VAL 216 CO 0.05 0.02 -0.44 -1.13 0.02 0.00 0.00 177.57 176.09 3i01 h ASN 217 N 0.08 -1.32 -1.00 0.57 -0.73 -1.06 -2.66 115.58 109.46 3i01 h ASN 217 Ca 0.27 0.15 0.29 0.00 1.87 0.00 0.00 56.30 58.88 3i01 h ASN 217 Cb 0.42 0.50 -0.04 0.00 0.27 0.00 0.00 38.32 39.47 3i01 h ASN 217 CO -0.48 -0.49 0.73 1.56 -0.37 0.00 0.00 177.43 178.38 3i01 h GLN 218 N -0.64 0.00 0.00 6.67 4.20 -0.32 -2.37 115.11 122.64 3i01 h GLN 218 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3i01 h GLN 218 Cb 0.69 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 3i01 h GLN 218 CO -0.28 0.00 -0.13 0.00 -0.67 0.00 0.00 178.83 177.75 3i01 h ALA 219 N 1.48 0.93 -2.74 3.87 0.00 -0.74 -3.02 119.26 119.02 3i01 h ALA 219 Ca 0.47 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.75 3i01 h ALA 219 Cb 1.93 -0.01 0.16 0.00 0.00 0.00 0.00 17.79 19.87 3i01 h ALA 219 CO -0.00 0.09 0.02 1.58 0.00 0.00 0.00 179.25 180.93 3i01 n HIS 220 N -3.09 0.52 -1.66 0.00 -0.00 -0.90 -4.86 115.22 105.23 3i01 n HIS 220 Ca 0.03 0.44 -0.56 0.00 -0.00 0.00 0.00 57.72 57.63 3i01 n HIS 220 Cb 0.56 -2.10 -0.07 0.00 -0.00 0.00 0.00 29.99 28.38 3i01 n HIS 220 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3i01 n MET 221 N -0.78 1.06 -3.10 1.57 0.00 -1.26 -1.88 117.12 112.72 3i01 n MET 221 Ca 0.13 0.39 -0.13 0.00 -0.00 0.00 0.00 57.70 58.09 3i01 n MET 221 Cb 0.47 -2.04 0.04 0.00 0.00 0.00 0.00 33.22 31.69 3i01 n MET 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i01 n GLY 222 N 3.49 0.12 0.00 -5.12 0.00 -1.26 -5.01 105.19 97.41 3i01 n GLY 222 Ca 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i01 n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i01 n MET 223 N -3.00 0.00 -2.56 1.61 2.00 -0.79 -5.05 117.12 109.34 3i01 n MET 223 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.30 3i01 n MET 223 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.71 3i01 n MET 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3i01 s ASP 224 N -0.57 7.38 -0.04 7.83 3.68 -1.14 -4.91 116.67 128.90 3i01 s ASP 224 Ca 0.00 2.17 0.05 0.00 2.13 0.00 0.00 52.55 56.91 3i01 s ASP 224 Cb 0.00 -2.62 0.08 0.00 -1.45 0.00 0.00 42.92 38.93 3i01 s ASP 224 CO 0.00 -0.06 0.94 -3.20 0.13 0.00 0.00 175.17 172.99 3i01 n ASN 225 N 1.33 1.37 -4.64 -0.34 5.15 -1.26 -4.96 115.26 111.92 3i01 n ASN 225 Ca -0.01 -2.12 -0.39 0.00 -0.60 0.00 0.00 54.58 51.46 3i01 n ASN 225 Cb 0.45 -0.16 -0.08 0.00 -0.53 0.00 0.00 39.78 39.47 3i01 n ASN 225 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i01 s ASP 226 N -1.34 6.41 0.20 1.20 -1.08 -1.26 -4.86 116.67 115.93 3i01 s ASP 226 Ca 0.09 0.48 -0.04 0.00 -0.52 0.00 0.00 52.55 52.57 3i01 s ASP 226 Cb 0.08 -2.25 0.14 0.00 -1.46 0.00 0.00 42.92 39.43 3i01 s ASP 226 CO 0.01 -0.18 1.55 1.55 0.52 0.00 0.00 175.17 178.62 3i01 h PRO 227 N 7.76 0.65 -0.42 4.34 0.13 -1.96 -1.67 132.00 140.82 3i01 h PRO 227 Ca -0.33 -0.35 -0.15 0.00 -0.87 0.00 0.00 66.00 64.31 3i01 h PRO 227 Cb 1.15 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3i01 h PRO 227 CO 0.70 0.95 -0.33 0.28 -0.23 0.00 0.00 178.00 179.38 3i01 h VAL 228 N 0.52 1.27 -0.61 1.56 2.07 -1.98 -0.67 116.25 118.41 3i01 h VAL 228 Ca 0.04 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 3i01 h VAL 228 Cb 0.96 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3i01 h VAL 228 CO 0.09 0.51 0.31 -1.13 0.02 0.00 0.00 177.57 177.36 3i01 h ASN 229 N 0.79 0.76 0.21 0.57 -1.24 -1.95 0.19 115.58 114.93 3i01 h ASN 229 Ca 0.08 -0.07 -0.30 0.00 0.71 0.00 0.00 56.30 56.72 3i01 h ASN 229 Cb 0.92 -0.19 0.03 0.00 0.73 0.00 0.00 38.32 39.80 3i01 h ASN 229 CO 0.09 0.64 -1.36 -0.07 -1.29 0.00 0.00 177.43 175.43 3i01 h LEU 230 N 0.86 0.71 -0.67 0.34 3.38 -1.22 -2.24 115.31 116.46 3i01 h LEU 230 Ca 0.21 -0.93 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 3i01 h LEU 230 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3i01 h LEU 230 CO -0.03 1.65 -0.07 0.58 0.09 0.00 0.00 178.44 180.66 3i01 h VAL 231 N -0.01 1.26 -0.66 1.22 2.07 -0.89 -2.19 116.25 117.05 3i01 h VAL 231 Ca -0.25 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 3i01 h VAL 231 Cb 2.02 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 3i01 h VAL 231 CO 0.22 0.42 0.23 -0.26 0.02 0.00 0.00 177.57 178.21 3i01 h PHE 232 N 0.87 1.00 -0.27 1.57 -1.00 -0.59 -0.84 116.94 117.68 3i01 h PHE 232 Ca 0.15 -0.08 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 3i01 h PHE 232 Cb 0.60 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3i01 h PHE 232 CO 0.04 0.78 -0.17 1.03 -1.61 0.00 0.00 178.31 178.38 3i01 h SER 233 N 0.96 0.46 -0.54 2.17 0.87 -1.27 -0.40 113.55 115.80 3i01 h SER 233 Ca 0.22 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3i01 h SER 233 Cb 0.23 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3i01 h SER 233 CO -0.01 0.65 0.17 0.00 -0.53 0.00 0.00 176.83 177.10 3i01 h ALA 234 N 1.40 0.70 -0.99 6.23 0.00 -0.93 -1.57 119.26 124.11 3i01 h ALA 234 Ca 0.07 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i01 h ALA 234 Cb 0.54 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3i01 h ALA 234 CO 0.04 0.36 0.65 0.82 0.00 0.00 0.00 179.25 181.12 3i01 h ILE 235 N 0.74 1.21 -0.41 0.00 2.04 -0.92 -0.93 117.51 119.24 3i01 h ILE 235 Ca 0.17 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3i01 h ILE 235 Cb 0.28 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 3i01 h ILE 235 CO -0.01 0.24 0.16 -0.09 0.00 0.00 0.00 178.15 178.45 3i01 h ARG 236 N 1.29 0.62 -0.40 2.37 2.43 -0.65 -1.39 114.38 118.66 3i01 h ARG 236 Ca 0.38 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.49 3i01 h ARG 236 Cb -0.07 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 3i01 h ARG 236 CO -0.10 0.58 0.07 0.28 -1.51 0.00 0.00 179.97 179.29 3i01 h VAL 237 N 0.52 0.79 -0.53 0.20 2.07 -1.11 -1.84 116.25 116.34 3i01 h VAL 237 Ca 0.14 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3i01 h VAL 237 Cb 0.20 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3i01 h VAL 237 CO -0.01 0.04 0.24 0.00 0.02 0.00 0.00 177.57 177.85 3i01 h ALA 238 N 1.30 0.68 -0.43 1.67 0.00 -0.93 0.12 119.26 121.67 3i01 h ALA 238 Ca 0.19 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3i01 h ALA 238 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3i01 h ALA 238 CO -0.26 0.26 0.29 -0.07 0.00 0.00 0.00 179.25 179.48 3i01 h LEU 239 N 0.71 0.25 -0.23 0.00 3.38 -1.17 0.31 115.31 118.57 3i01 h LEU 239 Ca 0.18 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3i01 h LEU 239 Cb 0.15 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i01 h LEU 239 CO -0.02 0.16 -0.24 0.00 0.09 0.00 0.00 178.44 178.44 3i01 h ALA 240 N 1.77 0.33 -0.11 1.53 0.00 -0.40 -0.69 119.26 121.69 3i01 h ALA 240 Ca 0.19 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3i01 h ALA 240 Cb 0.40 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3i01 h ALA 240 CO -0.04 0.30 -0.36 0.22 0.00 0.00 0.00 179.25 179.37 3i01 h ASP 241 N 0.25 -1.11 -0.79 0.00 3.58 -0.22 -0.91 116.42 117.22 3i01 h ASP 241 Ca 0.03 0.15 0.13 0.00 0.42 0.00 0.00 57.03 57.77 3i01 h ASP 241 Cb 0.79 0.46 -0.09 0.00 1.72 0.00 0.00 39.33 42.22 3i01 h ASP 241 CO 0.06 -0.39 0.39 0.22 -2.88 0.00 0.00 179.24 176.64 3i01 h TYR 242 N -0.44 0.69 -0.04 0.28 3.20 -0.79 0.46 116.97 120.32 3i01 h TYR 242 Ca 0.09 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.00 3i01 h TYR 242 Cb 0.58 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3i01 h TYR 242 CO -0.43 0.18 -0.06 1.15 -1.64 0.00 0.00 178.16 177.37 3i01 h THR 243 N 0.59 0.84 -0.31 1.81 2.02 -0.70 -1.44 112.91 115.73 3i01 h THR 243 Ca 0.42 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.52 3i01 h THR 243 Cb 0.56 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3i01 h THR 243 CO -0.34 0.00 -0.16 1.23 0.37 0.00 0.00 175.52 176.62 3i01 h GLY 244 N -0.08 0.59 1.00 2.16 0.00 -0.61 -1.35 103.07 104.78 3i01 h GLY 244 Ca 0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3i01 h GLY 244 CO -0.09 0.40 0.33 0.83 0.00 0.00 0.00 176.54 178.01 3i01 h GLU 245 N 0.50 0.90 0.03 4.80 5.08 -0.41 -1.49 114.58 123.99 3i01 h GLU 245 Ca 0.09 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 58.11 3i01 h GLU 245 Cb 0.56 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3i01 h GLU 245 CO 0.04 0.70 -0.97 1.25 -1.00 0.00 0.00 179.01 179.03 3i01 h HIS 246 N 0.87 0.32 0.32 4.33 2.76 -0.81 -1.43 115.15 121.51 3i01 h HIS 246 Ca 0.22 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3i01 h HIS 246 Cb 0.08 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3i01 h HIS 246 CO -0.00 1.05 -0.31 0.82 -1.30 0.00 0.00 177.93 178.19 3i01 h ILE 247 N 0.10 0.35 -0.58 6.26 2.04 -1.18 -1.94 117.51 122.55 3i01 h ILE 247 Ca -0.06 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.92 3i01 h ILE 247 Cb 1.63 0.35 -0.10 0.00 -0.74 0.00 0.00 36.82 37.96 3i01 h ILE 247 CO 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.24 3i01 h ALA 248 N -0.11 0.50 0.25 1.87 0.00 -1.07 -2.21 119.26 118.49 3i01 h ALA 248 Ca -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i01 h ALA 248 Cb 0.59 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i01 h ALA 248 CO -0.06 -0.41 -0.12 1.15 0.00 0.00 0.00 179.25 179.81 3i01 h THR 249 N 0.07 0.78 -0.39 0.00 2.02 -1.24 -0.10 112.91 114.06 3i01 h THR 249 Ca 0.29 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.41 3i01 h THR 249 Cb 0.47 0.87 -0.09 0.00 -1.74 0.00 0.00 68.15 67.66 3i01 h THR 249 CO -0.54 0.03 -0.21 0.44 0.37 0.00 0.00 175.52 175.62 3i01 h ASP 250 N -0.41 -0.70 0.52 4.18 3.32 -1.19 -0.61 116.42 121.54 3i01 h ASP 250 Ca -0.03 0.16 -0.20 0.00 0.02 0.00 0.00 57.03 56.97 3i01 h ASP 250 Cb 0.31 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3i01 h ASP 250 CO 0.06 -0.24 -0.89 -0.26 -1.72 0.00 0.00 179.24 176.19 3i01 h PHE 251 N -0.14 0.37 -0.76 4.55 -1.00 -1.39 -1.31 116.94 117.25 3i01 h PHE 251 Ca 0.19 -0.20 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 3i01 h PHE 251 Cb 0.43 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 3i01 h PHE 251 CO -0.44 1.02 0.33 0.77 -1.61 0.00 0.00 178.31 178.38 3i01 h SER 252 N 0.14 1.03 -0.64 2.17 0.02 -0.83 0.91 113.55 116.34 3i01 h SER 252 Ca -0.05 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 3i01 h SER 252 Cb 1.52 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3i01 h SER 252 CO 0.14 0.90 0.05 0.44 -1.14 0.00 0.00 176.83 177.22 3i01 h ASP 253 N 1.09 1.07 -0.52 3.07 3.32 -0.82 -1.02 116.42 122.61 3i01 h ASP 253 Ca 0.26 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3i01 h ASP 253 Cb 0.17 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3i01 h ASP 253 CO -0.03 1.09 0.27 0.40 -1.72 0.00 0.00 179.24 179.25 3i01 h ILE 254 N 1.02 1.19 -0.06 0.35 2.04 -0.76 -0.02 117.51 121.26 3i01 h ILE 254 Ca 0.19 -0.51 -0.19 0.00 1.00 0.00 0.00 64.86 65.35 3i01 h ILE 254 Cb 0.52 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3i01 h ILE 254 CO 0.02 0.21 -0.78 -0.07 0.00 0.00 0.00 178.15 177.54 3i01 h LEU 255 N 0.70 0.47 0.00 1.44 3.38 -0.76 0.17 115.31 120.70 3i01 h LEU 255 Ca 0.18 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3i01 h LEU 255 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i01 h LEU 255 CO -0.03 1.07 -0.20 0.49 0.09 0.00 0.00 178.44 179.87 3i01 n PHE 256 N -3.81 0.00 0.00 1.13 0.99 -0.39 -3.58 117.46 111.80 3i01 n PHE 256 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 3i01 n PHE 256 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.22 3i01 n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i01 n GLY 257 N 1.14 2.26 3.68 1.37 0.00 -0.02 -4.97 105.19 108.65 3i01 n GLY 257 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3i01 n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i01 s THR 258 N -1.86 4.80 0.58 2.61 2.01 -1.25 -4.46 115.64 118.08 3i01 s THR 258 Ca 0.00 1.95 -0.20 0.00 0.31 0.00 0.00 61.69 63.74 3i01 s THR 258 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 3i01 s THR 258 CO 0.00 0.00 1.26 -2.65 -0.69 0.00 0.00 174.62 172.54 3i01 n PRO 259 N 5.10 1.36 -4.31 4.92 -0.02 -1.26 -5.02 135.00 135.77 3i01 n PRO 259 Ca 0.08 0.51 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 3i01 n PRO 259 Cb 0.49 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 3i01 n PRO 259 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i01 s GLN 260 N -2.98 1.24 0.46 -0.52 -0.21 -1.13 -4.10 119.66 112.42 3i01 s GLN 260 Ca 0.76 -1.55 -0.24 0.00 0.02 0.00 0.00 55.36 54.34 3i01 s GLN 260 Cb -0.41 -0.93 -0.08 0.00 1.00 0.00 0.00 33.01 32.59 3i01 s GLN 260 CO 0.46 0.13 1.25 -2.30 -2.12 0.00 0.00 175.29 172.71 3i01 n PRO 261 N -0.32 1.77 -3.71 2.91 -0.02 -1.19 -4.29 135.00 130.15 3i01 n PRO 261 Ca -0.09 0.64 -0.14 0.00 -2.02 0.00 0.00 63.50 61.89 3i01 n PRO 261 Cb 0.61 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 3i01 n PRO 261 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i01 s VAL 262 N -1.25 0.04 -0.10 -1.45 0.11 0.41 -4.94 120.40 113.23 3i01 s VAL 262 Ca 0.64 -0.29 -0.02 0.00 -2.93 0.00 0.00 61.98 59.38 3i01 s VAL 262 Cb -0.48 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 33.65 3i01 s VAL 262 CO 0.55 -0.16 0.00 -0.69 -3.33 0.00 0.00 175.10 171.47 3i01 s VAL 263 N -0.98 4.29 0.00 2.04 1.01 -1.26 -0.44 120.40 125.06 3i01 s VAL 263 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3i01 s VAL 263 Cb -0.04 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3i01 s VAL 263 CO 0.05 0.59 0.00 -0.24 0.00 0.00 0.00 175.10 175.49 3i01 n SER 264 N 2.33 0.00 -3.93 3.32 2.88 0.09 -4.86 113.62 113.45 3i01 n SER 264 Ca -0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.27 3i01 n SER 264 Cb 0.53 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 3i01 n SER 264 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i01 s GLU 265 N 1.80 0.91 -0.01 -1.46 2.02 -1.26 -1.26 118.70 119.44 3i01 s GLU 265 Ca 0.00 -1.08 -0.12 0.00 0.02 0.00 0.00 54.97 53.79 3i01 s GLU 265 Cb 0.00 0.33 0.02 0.00 0.10 0.00 0.00 34.13 34.58 3i01 s GLU 265 CO 0.00 -0.29 0.26 0.00 0.02 0.00 0.00 175.26 175.24 3i01 s ALA 266 N -3.91 -0.64 0.00 5.21 0.00 -0.42 -1.55 121.76 120.45 3i01 s ALA 266 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3i01 s ALA 266 Cb 0.05 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3i01 s ALA 266 CO -0.07 -0.24 0.00 -1.71 0.00 0.00 0.00 175.76 173.74 3i01 n ASN 267 N 1.40 0.00 0.28 0.00 2.85 0.15 -1.48 115.26 118.46 3i01 n ASN 267 Ca -0.22 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.42 3i01 n ASN 267 Cb 0.56 0.00 0.77 0.00 1.24 0.00 0.00 39.78 42.35 3i01 n ASN 267 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3i01 h MET 268 N 0.00 0.00 0.00 1.20 2.86 -1.53 -2.21 114.93 115.26 3i01 h MET 268 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i01 h MET 268 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3i01 h MET 268 CO 0.00 0.05 0.06 0.78 1.06 0.00 0.00 176.91 178.87 3i01 h GLY 269 N 1.40 0.00 2.00 8.32 0.00 -0.67 -0.73 103.07 113.38 3i01 h GLY 269 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i01 h GLY 269 CO 0.01 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.88 3i01 n VAL 270 N -2.63 1.10 -2.48 4.60 0.24 -0.83 -4.79 118.33 113.55 3i01 n VAL 270 Ca -0.02 0.38 -0.37 0.00 -2.04 0.00 0.00 64.34 62.29 3i01 n VAL 270 Cb 0.11 -1.29 -0.04 0.00 -1.47 0.00 0.00 33.84 31.16 3i01 n VAL 270 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i01 s LEU 271 N -3.87 4.21 -0.18 1.34 1.43 -0.28 -5.02 118.68 116.31 3i01 s LEU 271 Ca 0.03 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 3i01 s LEU 271 Cb 0.07 -4.06 0.04 0.00 0.03 0.00 0.00 46.19 42.27 3i01 s LEU 271 CO 0.26 -0.48 -0.08 -0.62 0.23 0.00 0.00 176.35 175.66 3i01 s ASP 272 N -1.37 3.15 0.61 2.29 -1.08 -1.26 -5.00 116.67 114.02 3i01 s ASP 272 Ca 0.56 -0.79 0.37 0.00 -0.52 0.00 0.00 52.55 52.16 3i01 s ASP 272 Cb -0.25 -1.09 1.98 0.00 -1.46 0.00 0.00 42.92 42.10 3i01 s ASP 272 CO 0.32 -0.16 2.24 1.55 0.52 0.00 0.00 175.17 179.64 3i01 h PRO 273 N 8.04 0.00 -0.42 4.34 0.13 -1.97 -1.76 132.00 140.36 3i01 h PRO 273 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3i01 h PRO 273 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i01 h PRO 273 CO 0.44 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 177.98 3i01 n ASP 274 N -3.36 3.31 -4.63 1.44 8.00 -1.26 -4.92 116.55 115.13 3i01 n ASP 274 Ca -0.02 -1.97 -0.24 0.00 0.71 0.00 0.00 54.79 53.27 3i01 n ASP 274 Cb 0.13 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.88 3i01 n ASP 274 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3i01 s GLN 275 N -1.46 2.10 -0.44 -1.24 -0.21 -0.66 -0.89 119.66 116.86 3i01 s GLN 275 Ca 0.39 -1.72 -0.28 0.00 0.02 0.00 0.00 55.36 53.78 3i01 s GLN 275 Cb 0.22 -1.95 -0.02 0.00 1.00 0.00 0.00 33.01 32.26 3i01 s GLN 275 CO 0.31 0.15 1.86 0.08 -2.12 0.00 0.00 175.29 175.57 3i01 s VAL 276 N -2.50 3.40 -0.61 1.09 1.01 -0.34 -4.86 120.40 117.59 3i01 s VAL 276 Ca 0.35 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.44 3i01 s VAL 276 Cb -0.01 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.72 3i01 s VAL 276 CO 0.19 -0.56 0.99 0.20 0.00 0.00 0.00 175.10 175.93 3i01 s ASN 277 N 7.23 6.27 -0.35 3.32 0.01 -1.26 -0.91 114.94 129.25 3i01 s ASN 277 Ca 0.77 -0.55 -0.10 0.00 -0.71 0.00 0.00 52.86 52.27 3i01 s ASN 277 Cb -0.19 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.04 3i01 s ASN 277 CO 0.29 -1.37 0.18 0.12 -1.51 0.00 0.00 177.10 174.81 3i01 s PHE 278 N 4.21 3.22 -0.17 2.20 5.36 -0.81 -0.37 117.98 131.62 3i01 s PHE 278 Ca 0.29 -0.84 -0.18 0.00 -0.96 0.00 0.00 56.93 55.24 3i01 s PHE 278 Cb -0.13 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 3i01 s PHE 278 CO 0.16 -0.58 0.47 0.08 -1.46 0.00 0.00 175.22 173.89 3i01 s VAL 279 N 1.57 5.16 -0.31 3.12 1.01 0.22 -1.99 120.40 129.18 3i01 s VAL 279 Ca 0.03 0.88 -0.13 0.00 0.00 0.00 0.00 61.98 62.76 3i01 s VAL 279 Cb -0.18 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3i01 s VAL 279 CO 0.06 0.25 0.28 -0.76 0.00 0.00 0.00 175.10 174.94 3i01 s LEU 280 N 1.16 4.26 0.03 3.92 1.43 -0.41 -1.02 118.68 128.04 3i01 s LEU 280 Ca 0.23 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3i01 s LEU 280 Cb -0.15 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3i01 s LEU 280 CO 0.09 -0.20 -0.05 -2.28 0.23 0.00 0.00 176.35 174.15 3i01 s HIS 281 N 1.87 0.45 0.00 0.29 2.46 -0.97 -0.83 115.29 118.56 3i01 s HIS 281 Ca 0.09 -0.55 0.00 0.00 0.47 0.00 0.00 55.06 55.08 3i01 s HIS 281 Cb -0.16 -0.29 0.00 0.00 -0.13 0.00 0.00 32.58 31.99 3i01 s HIS 281 CO 0.11 -0.15 0.00 0.41 -2.47 0.00 0.00 174.74 172.64 3i01 n GLY 282 N 1.45 0.15 0.00 1.59 0.00 -1.25 -3.09 105.19 104.04 3i01 n GLY 282 Ca -0.23 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.84 3i01 n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i01 n HIS 283 N 0.00 0.00 -3.09 1.61 8.25 -1.19 -1.17 115.22 119.63 3i01 n HIS 283 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3i01 n HIS 283 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 3i01 n HIS 283 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3i01 s ASN 284 N -2.80 6.53 0.22 0.41 3.84 -1.26 -4.08 114.94 117.80 3i01 s ASN 284 Ca 0.00 0.50 0.20 0.00 0.21 0.00 0.00 52.86 53.77 3i01 s ASN 284 Cb 0.00 -2.34 0.90 0.00 -0.55 0.00 0.00 41.25 39.26 3i01 s ASN 284 CO 0.00 -0.49 1.61 -0.81 -2.79 0.00 0.00 177.10 174.62 3i01 n PRO 285 N 5.91 0.14 -0.24 0.43 -0.04 -1.26 -1.96 135.00 137.98 3i01 n PRO 285 Ca -0.00 0.45 0.18 0.00 -0.04 0.00 0.00 63.50 64.09 3i01 n PRO 285 Cb 0.49 -1.81 0.49 0.00 -0.04 0.00 0.00 33.50 32.63 3i01 n PRO 285 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i01 h LEU 286 N 0.00 0.44 0.00 1.53 3.38 -2.00 -0.28 115.31 118.39 3i01 h LEU 286 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i01 h LEU 286 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i01 h LEU 286 CO 0.00 0.19 -0.03 0.25 0.09 0.00 0.00 178.44 178.93 3i01 h LEU 287 N 0.45 0.00 -1.08 1.67 5.85 -1.82 -3.39 115.31 116.99 3i01 h LEU 287 Ca 0.46 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.12 3i01 h LEU 287 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 3i01 h LEU 287 CO -0.18 0.51 -0.07 0.77 -0.34 0.00 0.00 178.44 179.13 3i01 h SER 288 N -0.98 0.54 -0.57 1.25 4.64 -1.45 -2.13 113.55 114.85 3i01 h SER 288 Ca 0.00 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3i01 h SER 288 Cb 0.03 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3i01 h SER 288 CO 0.00 0.66 0.27 -0.33 -0.87 0.00 0.00 176.83 176.57 3i01 h GLU 289 N 0.53 0.85 -0.19 4.77 4.39 -1.31 -2.01 114.58 121.61 3i01 h GLU 289 Ca 0.10 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 3i01 h GLU 289 Cb 0.45 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3i01 h GLU 289 CO 0.02 0.67 -0.62 0.82 -1.16 0.00 0.00 179.01 178.75 3i01 h ILE 290 N 0.85 1.31 -0.49 3.13 1.08 -1.58 -2.77 117.51 119.04 3i01 h ILE 290 Ca 0.21 -1.86 0.03 0.00 -0.39 0.00 0.00 64.86 62.84 3i01 h ILE 290 Cb 0.11 1.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.65 3i01 h ILE 290 CO -0.03 0.58 0.28 0.40 -0.69 0.00 0.00 178.15 178.70 3i01 h ILE 291 N 0.49 1.03 -0.20 -0.67 1.08 -1.29 0.48 117.51 118.43 3i01 h ILE 291 Ca -0.01 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.32 3i01 h ILE 291 Cb 1.19 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.33 3i01 h ILE 291 CO 0.12 0.10 -0.07 0.58 -0.69 0.00 0.00 178.15 178.20 3i01 h VAL 292 N 0.55 0.76 0.15 1.67 2.07 -1.30 0.84 116.25 120.99 3i01 h VAL 292 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3i01 h VAL 292 Cb 0.05 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3i01 h VAL 292 CO -0.10 0.00 -0.07 -0.61 0.02 0.00 0.00 177.57 176.80 3i01 h GLN 293 N -0.03 -0.19 -0.89 1.57 5.75 -1.29 -2.81 115.11 117.21 3i01 h GLN 293 Ca 0.10 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 58.80 3i01 h GLN 293 Cb 0.18 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.70 3i01 h GLN 293 CO -0.22 -0.09 0.58 0.00 -2.65 0.00 0.00 178.83 176.45 3i01 h ALA 294 N 0.60 2.08 -0.47 3.38 0.00 -0.57 -1.15 119.26 123.13 3i01 h ALA 294 Ca -0.02 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3i01 h ALA 294 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3i01 h ALA 294 CO 0.03 -0.36 -0.18 0.00 0.00 0.00 0.00 179.25 178.75 3i01 h ALA 295 N 1.61 0.79 -0.54 0.00 0.00 -0.59 -2.33 119.26 118.21 3i01 h ALA 295 Ca 0.46 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3i01 h ALA 295 Cb 1.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3i01 h ALA 295 CO -0.19 0.66 0.37 0.00 0.00 0.00 0.00 179.25 180.09 3i01 h ARG 296 N 0.81 0.26 -0.02 0.00 3.08 -1.03 -1.21 114.38 116.27 3i01 h ARG 296 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3i01 h ARG 296 Cb 0.73 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3i01 h ARG 296 CO 0.06 0.17 -0.07 0.39 -1.07 0.00 0.00 179.97 179.44 3i01 n GLU 297 N -4.45 1.70 -0.02 0.04 1.02 -0.94 -4.14 120.64 113.86 3i01 n GLU 297 Ca 0.09 -1.18 0.03 0.00 -0.02 0.00 0.00 57.16 56.09 3i01 n GLU 297 Cb 0.42 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 30.40 3i01 n GLU 297 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3i01 n MET 298 N 0.38 0.34 0.02 3.49 2.81 -0.48 -4.67 117.12 119.01 3i01 n MET 298 Ca 0.16 -1.01 0.13 0.00 -1.81 0.00 0.00 57.70 55.17 3i01 n MET 298 Cb 0.43 -1.12 0.59 0.00 -0.71 0.00 0.00 33.22 32.41 3i01 n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3i01 h GLU 299 N 1.18 0.20 -0.28 0.03 4.39 -1.66 -2.38 114.58 116.06 3i01 h GLU 299 Ca 0.00 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 3i01 h GLU 299 Cb 0.31 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3i01 h GLU 299 CO 0.00 0.13 -0.24 0.78 -1.16 0.00 0.00 179.01 178.52 3i01 h GLY 300 N 0.20 0.71 1.55 -3.84 0.00 -1.91 -2.25 103.07 97.53 3i01 h GLY 300 Ca 0.20 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3i01 h GLY 300 CO -0.03 0.64 0.18 0.83 0.00 0.00 0.00 176.54 178.15 3i01 h GLU 301 N 0.39 0.58 -0.26 4.80 5.08 -1.76 -1.53 114.58 121.87 3i01 h GLU 301 Ca 0.05 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3i01 h GLU 301 Cb 0.79 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3i01 h GLU 301 CO 0.06 0.48 -0.09 0.00 -1.00 0.00 0.00 179.01 178.46 3i01 h ALA 302 N 1.61 0.37 -0.89 3.43 0.00 -1.42 -2.91 119.26 119.44 3i01 h ALA 302 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i01 h ALA 302 Cb 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3i01 h ALA 302 CO -0.02 0.20 0.52 0.87 0.00 0.00 0.00 179.25 180.82 3i01 h LYS 303 N 0.27 1.23 -0.64 0.00 1.57 -1.17 -2.03 116.57 115.79 3i01 h LYS 303 Ca 0.06 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3i01 h LYS 303 Cb 0.57 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3i01 h LYS 303 CO 0.03 0.88 0.43 0.00 -0.57 0.00 0.00 179.45 180.21 3i01 h ALA 304 N 1.28 1.56 0.00 3.86 0.00 -1.25 0.33 119.26 125.05 3i01 h ALA 304 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i01 h ALA 304 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i01 h ALA 304 CO -0.06 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3i01 n ALA 305 N -2.44 2.59 -0.16 0.00 0.00 -1.00 -4.90 120.51 114.60 3i01 n ALA 305 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i01 n ALA 305 Cb 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.05 3i01 n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i01 n GLY 306 N 0.82 0.58 3.82 0.00 0.00 0.11 -4.76 105.19 105.76 3i01 n GLY 306 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 3i01 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ALA 307 N -2.31 3.05 -1.49 4.61 0.00 -0.80 -4.96 121.76 119.85 3i01 s ALA 307 Ca 0.00 0.37 0.21 0.00 0.00 0.00 0.00 51.96 52.55 3i01 s ALA 307 Cb 0.00 -3.14 1.09 0.00 0.00 0.00 0.00 23.12 21.07 3i01 s ALA 307 CO 0.00 0.10 1.68 1.63 0.00 0.00 0.00 175.76 179.16 3i01 n LYS 308 N -0.73 0.34 -1.64 0.00 4.76 -0.07 -3.75 118.16 117.07 3i01 n LYS 308 Ca 0.07 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 3i01 n LYS 308 Cb 0.54 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 3i01 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i01 n GLY 309 N 0.49 -0.59 3.68 0.72 0.00 -1.26 -4.95 105.19 103.28 3i01 n GLY 309 Ca 0.11 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 3i01 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 310 N -1.44 5.33 -0.71 -0.61 1.01 -1.26 -1.20 121.20 122.31 3i01 s ILE 310 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 3i01 s ILE 310 Cb 0.00 -3.56 0.18 0.00 0.01 0.00 0.00 42.46 39.09 3i01 s ILE 310 CO 0.00 0.34 0.56 0.21 0.00 0.00 0.00 174.94 176.06 3i01 s ASN 311 N 0.88 5.67 0.13 3.58 2.47 -0.09 -4.93 114.94 122.65 3i01 s ASN 311 Ca 0.11 -2.94 -0.31 0.00 0.42 0.00 0.00 52.86 50.14 3i01 s ASN 311 Cb -0.13 -1.94 -0.08 0.00 -1.45 0.00 0.00 41.25 37.64 3i01 s ASN 311 CO 0.04 -0.39 1.38 -0.76 -3.72 0.00 0.00 177.10 173.65 3i01 s LEU 312 N -0.20 4.38 0.07 3.21 1.43 -1.26 -1.92 118.68 124.39 3i01 s LEU 312 Ca 0.19 2.34 0.02 0.00 -1.03 0.00 0.00 54.13 55.64 3i01 s LEU 312 Cb -0.16 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 3i01 s LEU 312 CO -0.06 -0.64 -0.07 0.68 0.23 0.00 0.00 176.35 176.50 3i01 s VAL 313 N 0.96 0.60 0.23 -1.59 -7.23 -0.84 -4.38 120.40 108.14 3i01 s VAL 313 Ca 0.63 -1.58 0.10 0.00 -1.81 0.00 0.00 61.98 59.32 3i01 s VAL 313 Cb -0.37 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 3i01 s VAL 313 CO 0.31 -0.68 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.42 3i01 s GLY 314 N -2.44 1.60 0.00 2.32 0.00 -0.24 -1.29 107.32 107.27 3i01 s GLY 314 Ca 0.03 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 43.05 3i01 s GLY 314 CO -0.03 -1.80 -0.06 -0.42 0.00 0.00 0.00 173.10 170.79 3i01 s ILE 315 N -2.63 0.43 0.00 0.90 1.01 -0.01 -0.91 121.20 119.99 3i01 s ILE 315 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3i01 s ILE 315 Cb -0.03 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.05 3i01 s ILE 315 CO 0.10 0.03 0.00 0.00 0.00 0.00 0.00 174.94 175.07 3i01 h THR 318 N 0.87 1.30 -0.11 0.00 1.03 -1.28 0.30 112.91 115.02 3i01 h THR 318 Ca 0.13 -1.53 0.04 0.00 -0.01 0.00 0.00 66.41 65.04 3i01 h THR 318 Cb 0.70 1.53 -0.06 0.00 -1.07 0.00 0.00 68.15 69.25 3i01 h THR 318 CO 0.05 0.48 -0.31 1.23 -0.01 0.00 0.00 175.52 176.96 3i01 h GLY 319 N 1.06 -0.44 0.23 2.99 0.00 -0.98 -2.25 103.07 103.69 3i01 h GLY 319 Ca 0.04 0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.87 3i01 h GLY 319 CO 0.07 -0.22 0.19 3.43 0.00 0.00 0.00 176.54 180.01 3i01 h ASN 320 N -0.40 0.12 -0.27 0.19 2.35 -0.29 -0.82 115.58 116.45 3i01 h ASN 320 Ca 0.09 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 56.01 3i01 h ASN 320 Cb 0.54 0.11 -0.07 0.00 0.05 0.00 0.00 38.32 38.95 3i01 h ASN 320 CO -0.33 0.06 -0.20 -0.33 -1.65 0.00 0.00 177.43 174.98 3i01 h GLU 321 N 0.34 -0.17 0.00 0.81 4.39 -0.10 0.11 114.58 119.96 3i01 h GLU 321 Ca 0.33 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3i01 h GLU 321 Cb 0.47 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3i01 h GLU 321 CO -0.38 -0.11 -0.49 -0.39 -1.16 0.00 0.00 179.01 176.48 3i01 h VAL 322 N -0.18 0.00 0.01 3.13 -1.51 -1.24 -2.26 116.25 114.20 3i01 h VAL 322 Ca 0.15 -0.96 -0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3i01 h VAL 322 Cb 0.40 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3i01 h VAL 322 CO -0.38 0.00 -0.00 0.25 -1.23 0.00 0.00 177.57 176.21 3i01 h LEU 323 N 0.00 -0.01 -1.28 4.19 5.85 -1.05 0.19 115.31 123.20 3i01 h LEU 323 Ca 0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3i01 h LEU 323 Cb 0.98 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 3i01 h LEU 323 CO 0.00 0.19 0.28 0.24 -0.34 0.00 0.00 178.44 178.80 3i01 h MET 324 N -0.21 0.78 0.00 1.25 2.86 -0.62 -1.10 114.93 117.89 3i01 h MET 324 Ca -0.00 -0.09 -0.29 0.00 -2.06 0.00 0.00 59.70 57.26 3i01 h MET 324 Cb 0.20 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3i01 h MET 324 CO 0.00 0.59 -2.08 0.54 1.06 0.00 0.00 176.91 177.03 3i01 n ARG 325 N -4.38 1.36 -0.00 1.72 1.74 -0.86 -4.31 116.66 111.93 3i01 n ARG 325 Ca 0.05 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.14 3i01 n ARG 325 Cb 0.12 -1.40 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3i01 n ARG 325 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3i01 n GLN 326 N -2.62 -0.72 -0.99 5.56 1.13 0.60 -4.99 117.38 115.35 3i01 n GLN 326 Ca -0.26 -0.62 0.00 0.00 -1.94 0.00 0.00 57.00 54.18 3i01 n GLN 326 Cb 1.00 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 30.31 3i01 n GLN 326 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i01 n GLY 327 N 0.11 0.39 3.70 1.08 0.00 -0.42 -4.92 105.19 105.14 3i01 n GLY 327 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3i01 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 328 N -1.84 2.62 0.61 -0.61 -1.09 -1.06 -4.70 121.20 115.13 3i01 s ILE 328 Ca 0.00 0.25 -0.18 0.00 -2.23 0.00 0.00 60.65 58.49 3i01 s ILE 328 Cb 0.00 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 3i01 s ILE 328 CO 0.00 0.01 1.20 -2.16 -1.23 0.00 0.00 174.94 172.75 3i01 s PRO 329 N 2.17 2.89 -0.19 2.79 0.04 -1.26 -3.83 135.00 137.62 3i01 s PRO 329 Ca 0.76 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 63.41 3i01 s PRO 329 Cb -0.44 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3i01 s PRO 329 CO 0.33 -1.25 0.42 -0.51 0.04 0.00 0.00 177.00 176.03 3i01 s LEU 330 N -4.22 4.17 -0.05 -3.56 1.43 -0.59 -1.08 118.68 114.77 3i01 s LEU 330 Ca 0.76 0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 54.30 3i01 s LEU 330 Cb -0.29 -2.56 -0.30 0.00 0.03 0.00 0.00 46.19 43.06 3i01 s LEU 330 CO 0.34 -0.08 0.69 1.62 0.23 0.00 0.00 176.35 179.16 3i01 h VAL 331 N 5.00 1.05 -2.13 -1.59 3.04 -1.25 0.44 116.25 120.80 3i01 h VAL 331 Ca -0.36 -2.50 0.09 0.00 -1.01 0.00 0.00 66.70 62.91 3i01 h VAL 331 Cb 1.16 2.82 -0.02 0.00 -2.01 0.00 0.00 31.29 33.25 3i01 h VAL 331 CO 0.73 0.80 0.33 1.07 -1.01 0.00 0.00 177.57 179.49 3i01 n THR 332 N -3.75 0.00 -4.23 3.17 5.66 -1.25 -2.50 114.28 111.39 3i01 n THR 332 Ca -0.23 -0.32 -0.11 0.00 -3.05 0.00 0.00 64.05 60.35 3i01 n THR 332 Cb 1.01 0.44 -0.02 0.00 -1.55 0.00 0.00 70.33 70.20 3i01 n THR 332 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3i01 n SER 333 N -0.98 1.93 0.01 1.09 3.41 -1.26 -3.91 113.62 113.91 3i01 n SER 333 Ca -0.01 -1.78 -0.12 0.00 -0.26 0.00 0.00 58.87 56.70 3i01 n SER 333 Cb 0.33 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 3i01 n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i01 h PHE 334 N 1.15 -1.10 0.00 7.33 3.57 -1.95 -2.87 116.94 123.07 3i01 h PHE 334 Ca -0.13 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 3i01 h PHE 334 Cb 0.44 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3i01 h PHE 334 CO 0.00 -0.46 -0.19 0.00 -2.23 0.00 0.00 178.31 175.43 3i01 h ALA 335 N 0.19 1.48 -0.49 2.41 0.00 -1.97 -2.85 119.26 118.03 3i01 h ALA 335 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 335 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i01 h ALA 335 CO -0.37 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 3i01 n SER 336 N -4.01 5.13 0.02 0.00 3.41 -1.09 -4.68 113.62 112.40 3i01 n SER 336 Ca -0.02 -2.92 0.02 0.00 -0.26 0.00 0.00 58.87 55.69 3i01 n SER 336 Cb 0.27 -0.64 0.36 0.00 -0.26 0.00 0.00 64.21 63.95 3i01 n SER 336 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3i01 h GLN 337 N 3.35 0.49 -0.51 4.33 3.07 -1.48 -1.47 115.11 122.90 3i01 h GLN 337 Ca 0.00 -0.07 -0.10 0.00 0.09 0.00 0.00 58.65 58.57 3i01 h GLN 337 Cb 1.79 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 29.24 3i01 h GLN 337 CO 0.40 0.45 -0.08 0.93 0.09 0.00 0.00 178.83 180.62 3i01 h GLU 338 N 0.49 0.92 0.00 0.06 5.08 -1.85 -3.10 114.58 116.18 3i01 h GLU 338 Ca 0.12 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3i01 h GLU 338 Cb 0.17 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3i01 h GLU 338 CO -0.01 0.96 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.79 3i01 h LEU 339 N 0.84 0.00 -1.00 1.33 3.38 -1.62 -0.79 115.31 117.45 3i01 h LEU 339 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3i01 h LEU 339 Cb 0.60 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3i01 h LEU 339 CO 0.04 0.11 0.54 0.00 0.09 0.00 0.00 178.44 179.22 3i01 h ALA 340 N 1.89 1.25 -0.39 1.53 0.00 -1.43 -2.48 119.26 119.63 3i01 h ALA 340 Ca -0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3i01 h ALA 340 Cb 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3i01 h ALA 340 CO 0.01 0.64 -0.29 0.82 0.00 0.00 0.00 179.25 180.44 3i01 h ILE 341 N 1.25 1.28 0.00 0.00 2.04 -1.26 -2.48 117.51 118.34 3i01 h ILE 341 Ca 0.33 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3i01 h ILE 341 Cb -0.05 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3i01 h ILE 341 CO -0.06 0.48 0.05 0.00 0.00 0.00 0.00 178.15 178.62 3i01 h THR 343 N 0.00 0.51 0.00 0.00 1.35 -1.42 -3.45 112.91 109.91 3i01 h THR 343 Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3i01 h THR 343 Cb 0.09 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3i01 h THR 343 CO 0.00 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 3i01 n GLY 344 N -0.09 1.26 0.87 5.82 0.00 -0.29 -0.99 105.19 111.78 3i01 n GLY 344 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3i01 n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n ALA 345 N 0.85 2.41 -2.65 4.61 0.00 -1.26 -4.84 120.51 119.63 3i01 n ALA 345 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 53.44 52.15 3i01 n ALA 345 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 3i01 n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i01 s ILE 346 N -1.37 4.62 -0.07 0.00 -1.09 -1.26 -4.28 121.20 117.75 3i01 s ILE 346 Ca 0.28 1.90 -0.13 0.00 -2.23 0.00 0.00 60.65 60.47 3i01 s ILE 346 Cb 0.17 -4.35 -0.29 0.00 -1.58 0.00 0.00 42.46 36.42 3i01 s ILE 346 CO 0.25 -0.29 0.63 0.44 -1.23 0.00 0.00 174.94 174.73 3i01 h ASP 347 N 7.70 0.52 -4.58 3.58 3.32 -1.04 -3.32 116.42 122.60 3i01 h ASP 347 Ca -0.20 -0.91 -0.15 0.00 0.02 0.00 0.00 57.03 55.80 3i01 h ASP 347 Cb 1.06 -0.17 -0.22 0.00 0.22 0.00 0.00 39.33 40.22 3i01 h ASP 347 CO 1.00 1.71 -0.46 0.00 -1.72 0.00 0.00 179.24 179.77 3i01 s ALA 348 N -2.53 -0.45 -0.27 3.45 0.00 -1.18 -2.14 121.76 118.64 3i01 s ALA 348 Ca -0.18 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 3i01 s ALA 348 Cb 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.16 3i01 s ALA 348 CO 0.82 -0.18 -0.03 1.41 0.00 0.00 0.00 175.76 177.78 3i01 s MET 349 N -0.87 2.67 -0.23 0.00 1.75 -0.32 0.70 119.30 123.01 3i01 s MET 349 Ca -0.10 -1.10 -0.07 0.00 -1.25 0.00 0.00 55.69 53.18 3i01 s MET 349 Cb -0.05 -3.09 -0.03 0.00 2.84 0.00 0.00 34.83 34.50 3i01 s MET 349 CO 0.02 -0.50 0.05 0.00 -0.65 0.00 0.00 175.02 173.94 3i01 s VAL 351 N 1.35 2.16 0.00 0.00 -7.23 0.44 -2.30 120.40 114.83 3i01 s VAL 351 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3i01 s VAL 351 Cb -0.15 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.77 3i01 s VAL 351 CO 0.03 -0.19 0.00 -0.90 -0.31 0.00 0.00 175.10 173.72 3i01 n ASP 352 N 0.25 0.00 -4.10 4.85 5.68 -1.18 -2.80 116.55 119.25 3i01 n ASP 352 Ca -0.13 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.00 3i01 n ASP 352 Cb 0.56 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.42 3i01 n ASP 352 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3i01 s VAL 353 N 0.00 0.82 0.11 2.12 -7.23 -1.26 -4.42 120.40 110.54 3i01 s VAL 353 Ca 0.00 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 3i01 s VAL 353 Cb 0.00 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.14 3i01 s VAL 353 CO 0.00 -0.19 0.00 0.00 -0.31 0.00 0.00 175.10 174.60 3i01 n GLN 354 N 1.68 -1.18 -1.75 4.82 6.02 -1.26 -3.20 117.38 122.52 3i01 n GLN 354 Ca -0.20 0.86 -0.19 0.00 -0.01 0.00 0.00 57.00 57.47 3i01 n GLN 354 Cb 0.55 -0.96 -0.06 0.00 1.02 0.00 0.00 30.24 30.78 3i01 n GLN 354 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i01 s ILE 356 N -2.75 5.16 -0.11 0.00 1.01 -1.26 -4.95 121.20 118.29 3i01 s ILE 356 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3i01 s ILE 356 Cb 0.00 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 3i01 s ILE 356 CO 0.00 -0.38 1.90 -0.04 0.00 0.00 0.00 174.94 176.42 3i01 s MET 357 N 1.95 3.78 0.00 2.79 -1.94 -1.26 -4.87 119.30 119.75 3i01 s MET 357 Ca 0.09 2.15 0.26 0.00 -1.71 0.00 0.00 55.69 56.48 3i01 s MET 357 Cb -0.18 -4.17 1.37 0.00 2.01 0.00 0.00 34.83 33.86 3i01 s MET 357 CO 0.12 -1.35 1.89 -0.35 -0.01 0.00 0.00 175.02 175.32 3i01 n PRO 358 N 7.86 0.47 0.05 2.03 -0.04 -1.26 -1.71 135.00 142.39 3i01 n PRO 358 Ca 0.22 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 3i01 n PRO 358 Cb 0.43 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.67 3i01 n PRO 358 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i01 n SER 359 N -1.23 0.21 -0.20 3.54 3.41 -1.26 -2.67 113.62 115.43 3i01 n SER 359 Ca 0.14 0.58 0.06 0.00 -0.26 0.00 0.00 58.87 59.39 3i01 n SER 359 Cb 0.18 -0.61 0.34 0.00 -0.26 0.00 0.00 64.21 63.86 3i01 n SER 359 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3i01 h ILE 360 N 0.00 1.02 -0.79 -1.33 3.07 -1.73 0.28 117.51 118.03 3i01 h ILE 360 Ca 0.00 -0.27 0.02 0.00 1.55 0.00 0.00 64.86 66.16 3i01 h ILE 360 Cb 0.13 0.16 -0.04 0.00 -0.27 0.00 0.00 36.82 36.80 3i01 h ILE 360 CO 0.00 0.14 0.51 0.77 -1.05 0.00 0.00 178.15 178.53 3i01 h SER 361 N 0.79 0.86 -0.18 2.16 4.64 -1.78 0.24 113.55 120.28 3i01 h SER 361 Ca 0.33 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.51 3i01 h SER 361 Cb 0.28 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3i01 h SER 361 CO -0.11 0.61 -0.33 0.00 -0.87 0.00 0.00 176.83 176.13 3i01 h ALA 362 N 1.32 0.84 -0.06 5.18 0.00 -1.22 -2.86 119.26 122.45 3i01 h ALA 362 Ca 0.31 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3i01 h ALA 362 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i01 h ALA 362 CO -0.09 0.64 -0.17 0.28 0.00 0.00 0.00 179.25 179.91 3i01 h VAL 363 N 0.58 1.43 -0.34 0.00 2.07 -0.04 -3.23 116.25 116.73 3i01 h VAL 363 Ca 0.06 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.15 3i01 h VAL 363 Cb 0.84 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 3i01 h VAL 363 CO 0.07 0.43 0.29 0.00 0.02 0.00 0.00 177.57 178.38 3i01 h ALA 364 N 0.45 2.16 0.00 1.67 0.00 -0.55 -0.63 119.26 122.36 3i01 h ALA 364 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 364 Cb 0.78 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3i01 h ALA 364 CO 0.04 -0.46 -0.31 1.49 0.00 0.00 0.00 179.25 180.00 3i01 h GLU 365 N 0.00 0.00 0.00 0.00 4.81 -1.52 -1.77 114.58 116.10 3i01 h GLU 365 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3i01 h GLU 365 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3i01 h GLU 365 CO -0.00 0.31 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 3i01 n TYR 367 N -1.85 0.00 0.24 0.00 4.02 -0.67 -5.07 117.16 113.83 3i01 n TYR 367 Ca 0.04 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.00 3i01 n TYR 367 Cb 0.27 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.71 3i01 n TYR 367 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3i01 n HIS 368 N 0.00 0.25 -1.84 -0.72 8.25 -1.25 -4.99 115.22 114.91 3i01 n HIS 368 Ca 0.00 -0.21 -0.41 0.00 -0.26 0.00 0.00 57.72 56.84 3i01 n HIS 368 Cb 0.00 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 3i01 n HIS 368 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i01 s THR 369 N -1.09 2.16 -0.21 1.59 2.01 -1.25 -4.83 115.64 114.02 3i01 s THR 369 Ca 0.22 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.24 3i01 s THR 369 Cb 0.13 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 3i01 s THR 369 CO 0.18 0.03 0.27 -0.13 -0.69 0.00 0.00 174.62 174.29 3i01 s ARG 370 N -1.50 4.15 -0.16 4.92 1.81 -0.91 -4.75 118.95 122.51 3i01 s ARG 370 Ca 0.56 -0.02 -0.17 0.00 -1.72 0.00 0.00 55.73 54.38 3i01 s ARG 370 Cb -0.46 -3.51 -0.04 0.00 -0.45 0.00 0.00 34.95 30.49 3i01 s ARG 370 CO 0.57 0.07 0.43 0.42 -0.68 0.00 0.00 175.30 176.11 3i01 s ILE 371 N 1.00 5.20 -0.19 1.52 -1.09 -1.26 -1.17 121.20 125.21 3i01 s ILE 371 Ca 0.14 0.82 0.01 0.00 -2.23 0.00 0.00 60.65 59.38 3i01 s ILE 371 Cb -0.14 -3.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.02 3i01 s ILE 371 CO 0.05 0.29 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.30 3i01 s ILE 372 N 0.98 1.70 0.37 2.92 1.01 -0.43 -2.24 121.20 125.51 3i01 s ILE 372 Ca 0.22 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 3i01 s ILE 372 Cb -0.15 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 3i01 s ILE 372 CO 0.08 0.24 0.70 0.42 0.00 0.00 0.00 174.94 176.38 3i01 s THR 373 N 1.38 4.88 0.00 2.92 -4.23 -0.22 -0.42 115.64 119.96 3i01 s THR 373 Ca -0.00 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 3i01 s THR 373 Cb -0.16 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.94 3i01 s THR 373 CO -0.09 -0.49 0.00 0.35 -0.54 0.00 0.00 174.62 173.85 3i01 n THR 374 N -1.28 0.00 -4.23 3.99 -2.24 -1.12 -0.31 114.28 109.08 3i01 n THR 374 Ca 0.01 -0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 3i01 n THR 374 Cb 0.54 0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 69.18 3i01 n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 s ALA 375 N -0.70 3.36 -0.26 6.98 0.00 -1.26 -2.31 121.76 127.58 3i01 s ALA 375 Ca 0.00 -0.77 0.26 0.00 0.00 0.00 0.00 51.96 51.45 3i01 s ALA 375 Cb 0.00 -1.64 1.17 0.00 0.00 0.00 0.00 23.12 22.65 3i01 s ALA 375 CO 0.00 0.47 1.79 0.38 0.00 0.00 0.00 175.76 178.40 3i01 h ASP 376 N 5.60 0.00 -0.39 0.00 3.04 -1.92 -2.74 116.42 120.01 3i01 h ASP 376 Ca -0.46 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 3i01 h ASP 376 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 3i01 h ASP 376 CO 0.59 0.00 0.00 -0.46 -2.04 0.00 0.00 179.24 177.33 3i01 n ASN 377 N -2.44 3.26 -3.37 4.15 0.23 -1.26 -4.80 115.26 111.02 3i01 n ASN 377 Ca 0.01 -2.16 -0.14 0.00 -0.53 0.00 0.00 54.58 51.75 3i01 n ASN 377 Cb 0.19 -0.32 -0.09 0.00 -2.08 0.00 0.00 39.78 37.49 3i01 n ASN 377 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i01 s ALA 378 N -1.29 -0.71 0.17 -2.53 0.00 -1.03 -5.05 121.76 111.32 3i01 s ALA 378 Ca 0.30 -0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.29 3i01 s ALA 378 Cb 0.17 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3i01 s ALA 378 CO 0.17 -1.68 -0.22 0.15 0.00 0.00 0.00 175.76 174.19 3i01 s LYS 379 N 2.42 1.39 -0.13 0.00 1.02 -1.26 -4.25 119.74 118.93 3i01 s LYS 379 Ca 0.10 -1.44 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 3i01 s LYS 379 Cb -0.14 -1.61 0.04 0.00 -0.52 0.00 0.00 37.83 35.60 3i01 s LYS 379 CO -0.30 0.35 0.03 0.42 -0.92 0.00 0.00 175.35 174.92 3i01 s ILE 380 N -1.73 0.36 0.19 2.17 1.01 -1.26 -5.11 121.20 116.82 3i01 s ILE 380 Ca 0.17 -0.16 -0.32 0.00 0.00 0.00 0.00 60.65 60.34 3i01 s ILE 380 Cb -0.07 -0.72 -0.16 0.00 0.01 0.00 0.00 42.46 41.52 3i01 s ILE 380 CO 0.08 0.01 1.05 -2.65 0.00 0.00 0.00 174.94 173.43 3i01 n PRO 381 N 5.13 0.99 0.00 2.79 -0.02 -1.26 -1.73 135.00 140.90 3i01 n PRO 381 Ca -0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3i01 n PRO 381 Cb 0.49 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3i01 n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i01 n GLY 382 N 1.82 1.65 3.86 -1.23 0.00 -1.26 -4.89 105.19 105.14 3i01 n GLY 382 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3i01 n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ALA 383 N -2.33 3.83 0.23 4.61 0.00 -0.71 -4.93 121.76 122.46 3i01 s ALA 383 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 3i01 s ALA 383 Cb 0.00 -1.91 -0.15 0.00 0.00 0.00 0.00 23.12 21.06 3i01 s ALA 383 CO 0.00 0.63 1.06 0.66 0.00 0.00 0.00 175.76 178.11 3i01 n TYR 384 N 1.86 1.18 -5.12 0.00 4.02 -0.95 -4.83 117.16 113.31 3i01 n TYR 384 Ca -0.19 0.71 -0.32 0.00 -0.01 0.00 0.00 57.90 58.09 3i01 n TYR 384 Cb 0.55 -2.25 -0.16 0.00 -0.02 0.00 0.00 39.34 37.46 3i01 n TYR 384 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3i01 s HIS 385 N -0.62 2.57 -0.22 -0.72 2.46 -1.26 -1.06 115.29 116.45 3i01 s HIS 385 Ca 0.66 -0.75 -0.03 0.00 0.47 0.00 0.00 55.06 55.41 3i01 s HIS 385 Cb -0.79 -1.68 -0.00 0.00 -0.13 0.00 0.00 32.58 29.98 3i01 s HIS 385 CO 0.56 -0.24 -0.05 0.42 -2.47 0.00 0.00 174.74 172.96 3i01 s ILE 386 N 0.03 3.25 -1.18 0.89 1.01 0.57 -4.97 121.20 120.81 3i01 s ILE 386 Ca -0.08 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 59.77 3i01 s ILE 386 Cb -0.15 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 3i01 s ILE 386 CO 0.05 0.40 1.89 -0.62 0.00 0.00 0.00 174.94 176.66 3i01 s ASP 387 N 1.45 5.41 -0.11 3.58 2.15 -1.26 -3.93 116.67 123.96 3i01 s ASP 387 Ca 0.05 -1.71 -0.29 0.00 0.43 0.00 0.00 52.55 51.02 3i01 s ASP 387 Cb -0.14 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.86 3i01 s ASP 387 CO -0.04 -2.66 1.40 -0.47 -0.17 0.00 0.00 175.17 173.23 3i01 s TYR 388 N 9.54 2.56 0.02 -5.34 5.04 -0.98 -5.01 117.35 123.18 3i01 s TYR 388 Ca 0.65 0.72 0.08 0.00 -2.44 0.00 0.00 57.07 56.09 3i01 s TYR 388 Cb -0.00 -3.65 -0.02 0.00 0.35 0.00 0.00 41.96 38.63 3i01 s TYR 388 CO 0.10 -2.48 -0.25 -0.65 -1.34 0.00 0.00 175.55 170.94 3i01 s GLN 389 N 3.58 1.83 0.35 4.97 -1.52 -1.26 -4.93 119.66 122.68 3i01 s GLN 389 Ca 0.62 -1.00 0.04 0.00 -1.95 0.00 0.00 55.36 53.07 3i01 s GLN 389 Cb -0.26 -1.91 0.65 0.00 -0.22 0.00 0.00 33.01 31.27 3i01 s GLN 389 CO 0.21 0.50 1.94 1.79 -0.25 0.00 0.00 175.29 179.49 3i01 h THR 390 N 4.36 1.17 -0.53 -0.19 1.35 -1.95 -1.91 112.91 115.21 3i01 h THR 390 Ca -0.44 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.88 3i01 h THR 390 Cb 1.14 0.65 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 3i01 h THR 390 CO 0.45 0.21 0.31 0.00 -0.25 0.00 0.00 175.52 176.23 3i01 h ALA 391 N 1.57 1.55 -0.46 6.62 0.00 -1.95 -3.09 119.26 123.50 3i01 h ALA 391 Ca 0.15 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 391 Cb 0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 17.79 17.42 3i01 h ALA 391 CO -0.01 0.39 -0.76 0.25 0.00 0.00 0.00 179.25 179.12 3i01 n THR 392 N -4.42 2.22 0.17 0.00 -2.24 -0.79 -4.69 114.28 104.53 3i01 n THR 392 Ca 0.05 -3.68 -0.14 0.00 -2.27 0.00 0.00 64.05 58.01 3i01 n THR 392 Cb 0.08 -0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 67.66 3i01 n THR 392 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 h ALA 393 N 1.80 -0.36 -0.60 6.98 0.00 -1.28 -3.16 119.26 122.64 3i01 h ALA 393 Ca 0.19 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3i01 h ALA 393 Cb 1.37 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 3i01 h ALA 393 CO 0.45 -0.70 0.08 0.97 0.00 0.00 0.00 179.25 180.05 3i01 h ILE 394 N -0.37 0.58 -0.63 0.00 6.09 -1.88 -1.43 117.51 119.87 3i01 h ILE 394 Ca -0.04 -0.07 -0.06 0.00 -1.37 0.00 0.00 64.86 63.32 3i01 h ILE 394 Cb 0.28 0.37 -0.03 0.00 0.47 0.00 0.00 36.82 37.92 3i01 h ILE 394 CO 0.06 0.04 0.16 1.05 -3.07 0.00 0.00 178.15 176.38 3i01 h GLU 395 N 0.19 1.01 -0.88 2.19 4.11 -1.97 0.11 114.58 119.35 3i01 h GLU 395 Ca 0.31 -0.24 0.03 0.00 0.07 0.00 0.00 59.36 59.53 3i01 h GLU 395 Cb 0.49 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3i01 h GLU 395 CO -0.45 0.91 0.58 0.77 0.07 0.00 0.00 179.01 180.90 3i01 h SER 396 N 0.93 0.97 -0.32 3.06 0.02 -1.46 -0.23 113.55 116.51 3i01 h SER 396 Ca 0.20 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 3i01 h SER 396 Cb 0.36 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3i01 h SER 396 CO 0.00 0.68 -0.26 0.00 -1.14 0.00 0.00 176.83 176.11 3i01 h ALA 397 N 1.47 0.47 -0.78 3.77 0.00 -0.86 -1.31 119.26 122.03 3i01 h ALA 397 Ca 0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 397 Cb -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3i01 h ALA 397 CO -0.09 0.46 0.36 0.87 0.00 0.00 0.00 179.25 180.85 3i01 h LYS 398 N 0.51 1.12 -0.73 0.00 1.57 -0.91 -2.31 116.57 115.83 3i01 h LYS 398 Ca 0.06 -0.16 0.12 0.00 -1.87 0.00 0.00 60.65 58.79 3i01 h LYS 398 Cb 0.82 -0.20 -0.08 0.00 0.08 0.00 0.00 32.23 32.85 3i01 h LYS 398 CO 0.07 0.86 0.33 1.15 -0.57 0.00 0.00 179.45 181.29 3i01 h THR 399 N 1.11 0.75 -0.38 -0.16 2.02 -0.79 -0.66 112.91 114.80 3i01 h THR 399 Ca 0.27 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 67.13 3i01 h THR 399 Cb 0.12 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3i01 h THR 399 CO -0.03 0.09 -0.31 0.00 0.37 0.00 0.00 175.52 175.64 3i01 h ALA 400 N 1.49 0.72 -0.16 6.16 0.00 -0.83 -1.35 119.26 125.29 3i01 h ALA 400 Ca 0.38 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3i01 h ALA 400 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i01 h ALA 400 CO -0.33 0.66 -0.37 0.82 0.00 0.00 0.00 179.25 180.02 3i01 h ILE 401 N 0.71 1.30 -0.46 0.00 2.04 -1.23 -1.55 117.51 118.31 3i01 h ILE 401 Ca 0.08 -1.46 -0.10 0.00 1.00 0.00 0.00 64.86 64.37 3i01 h ILE 401 Cb 0.87 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3i01 h ILE 401 CO 0.08 0.45 -0.11 0.03 0.00 0.00 0.00 178.15 178.60 3i01 h ARG 402 N 0.29 0.84 -0.46 2.37 3.08 -0.54 0.10 114.38 120.06 3i01 h ARG 402 Ca 0.03 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.80 3i01 h ARG 402 Cb 0.79 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3i01 h ARG 402 CO 0.06 0.91 0.30 0.52 -1.07 0.00 0.00 179.97 180.69 3i01 h MET 403 N 0.76 0.60 -0.73 0.04 2.86 -0.81 -2.20 114.93 115.44 3i01 h MET 403 Ca 0.13 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3i01 h MET 403 Cb 0.61 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3i01 h MET 403 CO 0.04 0.40 0.32 0.00 1.06 0.00 0.00 176.91 178.72 3i01 h ALA 404 N 1.17 0.95 -0.42 6.32 0.00 -0.35 -1.74 119.26 125.18 3i01 h ALA 404 Ca 0.17 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3i01 h ALA 404 Cb -0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.36 3i01 h ALA 404 CO -0.04 0.55 -0.05 0.82 0.00 0.00 0.00 179.25 180.53 3i01 h ILE 405 N 1.04 0.63 -0.96 0.00 2.04 -0.63 -0.84 117.51 118.80 3i01 h ILE 405 Ca 0.25 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.10 3i01 h ILE 405 Cb 0.18 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3i01 h ILE 405 CO -0.02 0.01 0.63 -0.33 0.00 0.00 0.00 178.15 178.44 3i01 h GLU 406 N 0.06 1.25 -0.53 2.37 4.39 -1.12 -2.29 114.58 118.72 3i01 h GLU 406 Ca 0.21 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 3i01 h GLU 406 Cb 0.31 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3i01 h GLU 406 CO -0.39 0.82 0.12 0.00 -1.16 0.00 0.00 179.01 178.40 3i01 h ALA 407 N 1.41 1.22 -0.04 3.43 0.00 -0.83 -2.40 119.26 122.05 3i01 h ALA 407 Ca 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3i01 h ALA 407 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3i01 h ALA 407 CO -0.08 0.54 -0.00 0.35 0.00 0.00 0.00 179.25 180.05 3i01 h PHE 408 N 0.78 -0.00 -0.11 0.00 3.57 -0.67 -2.03 116.94 118.47 3i01 h PHE 408 Ca 0.17 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 3i01 h PHE 408 Cb 0.30 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 3i01 h PHE 408 CO 0.02 -0.01 -0.10 0.87 -2.23 0.00 0.00 178.31 176.86 3i01 h LYS 409 N 0.01 -0.12 -0.85 1.11 1.57 -1.36 -0.75 116.57 116.19 3i01 h LYS 409 Ca 0.02 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 3i01 h LYS 409 Cb 0.02 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 3i01 h LYS 409 CO -0.03 -0.08 0.56 0.93 -0.57 0.00 0.00 179.45 180.26 3i01 h GLU 410 N -0.12 0.59 0.14 3.15 5.08 -1.39 0.12 114.58 122.13 3i01 h GLU 410 Ca 0.08 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 3i01 h GLU 410 Cb 0.23 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.36 3i01 h GLU 410 CO -0.19 0.39 -1.29 0.07 -1.00 0.00 0.00 179.01 176.99 3i01 h ARG 411 N 0.60 0.29 -0.45 2.33 0.11 -0.77 -1.57 114.38 114.92 3i01 h ARG 411 Ca 0.43 -0.50 -0.14 0.00 0.10 0.00 0.00 59.98 59.87 3i01 h ARG 411 Cb 0.78 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 3i01 h ARG 411 CO -0.18 1.23 -0.26 0.87 0.10 0.00 0.00 179.97 181.73 3i01 h LYS 412 N 0.08 0.96 -0.27 0.08 1.79 -0.63 -2.67 116.57 115.91 3i01 h LYS 412 Ca -0.15 -0.43 -0.01 0.00 -2.18 0.00 0.00 60.65 57.87 3i01 h LYS 412 Cb 1.99 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.61 3i01 h LYS 412 CO 0.21 1.10 0.13 1.49 -1.08 0.00 0.00 179.45 181.30 3i01 h GLU 413 N 0.82 0.39 0.00 3.15 4.81 -0.82 -3.17 114.58 119.76 3i01 h GLU 413 Ca 0.10 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3i01 h GLU 413 Cb 0.84 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3i01 h GLU 413 CO 0.07 0.37 -0.25 0.66 -0.73 0.00 0.00 179.01 179.14 3i01 h SER 414 N 0.31 0.00 -1.66 1.04 4.64 -1.29 -3.47 113.55 113.12 3i01 h SER 414 Ca 0.09 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.11 3i01 h SER 414 Cb 0.11 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 3i01 h SER 414 CO -0.01 0.25 -0.35 0.59 -0.87 0.00 0.00 176.83 176.43 3i01 n ASN 415 N -3.39 -4.68 -4.76 4.97 4.13 -1.01 -4.99 115.26 105.52 3i01 n ASN 415 Ca 0.00 0.13 -0.35 0.00 1.68 0.00 0.00 54.58 56.04 3i01 n ASN 415 Cb 0.45 -3.71 0.03 0.00 -1.54 0.00 0.00 39.78 35.01 3i01 n ASN 415 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3i01 s ARG 416 N -4.24 2.97 0.79 3.52 0.52 -1.25 -4.96 118.95 116.30 3i01 s ARG 416 Ca 0.00 1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 56.74 3i01 s ARG 416 Cb 0.00 -1.95 0.07 0.00 0.52 0.00 0.00 34.95 33.59 3i01 s ARG 416 CO 0.00 -1.16 1.12 -1.25 0.02 0.00 0.00 175.30 174.03 3i01 s PRO 417 N -3.55 1.95 0.04 3.54 0.04 -1.26 -5.03 135.00 130.74 3i01 s PRO 417 Ca 0.73 1.38 0.08 0.00 0.04 0.00 0.00 61.00 63.23 3i01 s PRO 417 Cb -0.26 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3i01 s PRO 417 CO 0.34 -1.90 -0.22 0.08 0.04 0.00 0.00 177.00 175.33 3i01 s VAL 418 N -2.64 1.81 -0.17 -0.36 1.01 -1.26 -4.73 120.40 114.06 3i01 s VAL 418 Ca 0.65 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3i01 s VAL 418 Cb -0.21 -1.57 0.06 0.00 0.00 0.00 0.00 36.38 34.66 3i01 s VAL 418 CO 0.53 0.26 0.06 -0.47 0.00 0.00 0.00 175.10 175.48 3i01 s TYR 419 N -0.79 0.64 -0.24 5.22 5.04 -0.16 -5.04 117.35 122.01 3i01 s TYR 419 Ca 0.09 -0.56 -0.00 0.00 -2.44 0.00 0.00 57.07 54.15 3i01 s TYR 419 Cb -0.09 -0.86 0.03 0.00 0.35 0.00 0.00 41.96 41.39 3i01 s TYR 419 CO 0.02 -0.54 -0.09 0.42 -1.34 0.00 0.00 175.55 174.02 3i01 s ILE 420 N 1.99 2.62 0.30 3.14 1.01 -1.26 -4.42 121.20 124.58 3i01 s ILE 420 Ca 0.01 -1.16 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 3i01 s ILE 420 Cb -0.16 -2.35 -0.12 0.00 0.01 0.00 0.00 42.46 39.84 3i01 s ILE 420 CO -0.08 0.18 1.46 -2.65 0.00 0.00 0.00 174.94 173.85 3i01 n PRO 421 N 4.61 2.39 -2.20 2.79 -0.02 -1.26 -4.83 135.00 136.47 3i01 n PRO 421 Ca -0.16 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 3i01 n PRO 421 Cb 0.46 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3i01 n PRO 421 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i01 n GLN 422 N 1.46 4.84 -4.05 -0.52 1.13 -1.26 -2.22 117.38 116.77 3i01 n GLN 422 Ca 0.07 -3.84 -0.26 0.00 -1.94 0.00 0.00 57.00 51.03 3i01 n GLN 422 Cb 0.36 -2.59 -0.17 0.00 0.11 0.00 0.00 30.24 27.95 3i01 n GLN 422 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i01 s ILE 423 N -2.11 1.05 0.02 5.09 1.01 -1.26 -4.95 121.20 120.05 3i01 s ILE 423 Ca 0.49 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 3i01 s ILE 423 Cb 0.18 -1.04 0.09 0.00 0.01 0.00 0.00 42.46 41.70 3i01 s ILE 423 CO -0.10 0.37 0.76 -1.59 0.00 0.00 0.00 174.94 174.37 3i01 s LYS 424 N 1.48 1.00 0.01 2.79 -2.85 -1.26 -1.19 119.74 119.72 3i01 s LYS 424 Ca 0.01 -0.18 0.02 0.00 -1.00 0.00 0.00 55.97 54.82 3i01 s LYS 424 Cb -0.13 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 3i01 s LYS 424 CO -0.06 -0.40 -0.06 -0.80 0.10 0.00 0.00 175.35 174.13 3i01 s ASN 425 N -2.12 0.71 0.32 0.03 0.01 -0.55 -4.95 114.94 108.40 3i01 s ASN 425 Ca -0.01 -0.27 -0.29 0.00 -0.71 0.00 0.00 52.86 51.58 3i01 s ASN 425 Cb -0.01 -0.03 -0.11 0.00 0.41 0.00 0.00 41.25 41.52 3i01 s ASN 425 CO -0.05 -0.04 1.44 -0.60 -1.51 0.00 0.00 177.10 176.34 3i01 s ARG 426 N -0.69 4.22 -0.06 -0.60 3.52 -1.26 -1.30 118.95 122.77 3i01 s ARG 426 Ca -0.03 2.41 0.04 0.00 -0.13 0.00 0.00 55.73 58.02 3i01 s ARG 426 Cb -0.05 -3.04 -0.00 0.00 -1.56 0.00 0.00 34.95 30.30 3i01 s ARG 426 CO 0.00 -0.42 -0.20 0.08 -0.81 0.00 0.00 175.30 173.95 3i01 s VAL 427 N -0.72 1.66 -0.16 7.11 1.01 -0.39 -3.63 120.40 125.28 3i01 s VAL 427 Ca 0.55 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 3i01 s VAL 427 Cb -0.44 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3i01 s VAL 427 CO 0.54 0.47 -0.01 -0.69 0.00 0.00 0.00 175.10 175.41 3i01 s VAL 428 N 0.19 4.19 0.00 2.92 1.01 -0.33 -0.73 120.40 127.64 3i01 s VAL 428 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3i01 s VAL 428 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3i01 s VAL 428 CO 0.04 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.64 3i01 n ALA 429 N 3.43 0.00 -0.55 5.51 0.00 0.42 -4.60 120.51 124.72 3i01 n ALA 429 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i01 n ALA 429 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i01 n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i01 n GLY 430 N 0.00 0.80 2.85 0.00 0.00 -1.24 -0.44 105.19 107.16 3i01 n GLY 430 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3i01 n GLY 430 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i01 n TRP 431 N -2.45 2.99 -0.78 1.61 7.02 -0.99 -2.83 117.44 122.00 3i01 n TRP 431 Ca 0.00 -2.81 -0.33 0.00 -1.02 0.00 0.00 57.50 53.35 3i01 n TRP 431 Cb 0.04 -2.01 0.13 0.00 -2.42 0.00 0.00 31.31 27.05 3i01 n TRP 431 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3i01 n SER 432 N 4.08 -2.04 -0.02 -0.99 3.41 -1.26 -4.28 113.62 112.53 3i01 n SER 432 Ca 0.41 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3i01 n SER 432 Cb 0.37 -1.20 0.31 0.00 -0.26 0.00 0.00 64.21 63.42 3i01 n SER 432 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i01 h LEU 433 N -1.61 0.52 -0.73 1.04 5.85 -1.92 -1.23 115.31 117.23 3i01 h LEU 433 Ca -0.44 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.26 3i01 h LEU 433 Cb 1.29 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 3i01 h LEU 433 CO 0.35 0.54 0.42 -0.33 -0.34 0.00 0.00 178.44 179.08 3i01 h GLU 434 N 0.55 0.76 -0.31 1.25 3.07 -1.90 -0.69 114.58 117.30 3i01 h GLU 434 Ca 0.13 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 3i01 h GLU 434 Cb 0.25 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3i01 h GLU 434 CO 0.00 0.50 -0.37 0.00 -1.40 0.00 0.00 179.01 177.74 3i01 h ALA 435 N 1.37 0.47 -0.49 3.43 0.00 -1.67 -2.35 119.26 120.02 3i01 h ALA 435 Ca 0.32 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i01 h ALA 435 Cb 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3i01 h ALA 435 CO -0.18 0.55 0.31 -0.07 0.00 0.00 0.00 179.25 179.86 3i01 h LEU 436 N 0.57 0.51 -0.23 0.00 3.38 -0.87 -1.84 115.31 116.84 3i01 h LEU 436 Ca 0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3i01 h LEU 436 Cb 0.95 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3i01 h LEU 436 CO 0.09 0.37 0.13 0.74 0.09 0.00 0.00 178.44 179.85 3i01 h THR 437 N 0.62 1.11 -0.80 0.22 2.02 -1.06 -1.08 112.91 113.93 3i01 h THR 437 Ca 0.19 -0.29 0.09 0.00 0.77 0.00 0.00 66.41 67.17 3i01 h THR 437 Cb -0.02 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 3i01 h THR 437 CO -0.07 0.11 0.52 0.50 0.37 0.00 0.00 175.52 176.95 3i01 h LYS 438 N 0.27 0.76 0.05 6.66 3.64 -1.34 0.67 116.57 127.28 3i01 h LYS 438 Ca 0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3i01 h LYS 438 Cb 0.06 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3i01 h LYS 438 CO -0.01 0.50 -0.03 1.25 -2.27 0.00 0.00 179.45 178.89 3i01 h LEU 439 N 0.78 -0.06 -0.94 5.20 5.85 -0.94 -3.14 115.31 122.05 3i01 h LEU 439 Ca 0.36 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3i01 h LEU 439 Cb 0.39 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3i01 h LEU 439 CO -0.14 0.14 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.03 3i01 h LEU 440 N -0.27 0.73 -2.16 2.25 3.38 -0.76 -2.91 115.31 115.58 3i01 h LEU 440 Ca -0.01 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3i01 h LEU 440 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i01 h LEU 440 CO 0.01 0.80 0.29 0.00 0.09 0.00 0.00 178.44 179.64 3i01 h ALA 441 N 1.28 1.73 0.00 1.53 0.00 0.39 -0.13 119.26 124.05 3i01 h ALA 441 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i01 h ALA 441 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i01 h ALA 441 CO 0.02 -0.39 0.00 1.79 0.00 0.00 0.00 179.25 180.67 3i01 h THR 442 N 0.00 0.00 0.00 0.00 1.35 -1.51 -2.46 112.91 110.29 3i01 h THR 442 Ca 0.09 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3i01 h THR 442 Cb 0.67 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3i01 h THR 442 CO -0.00 0.00 -0.91 0.00 -0.25 0.00 0.00 175.52 174.36 3i01 n GLN 443 N -2.34 2.18 -2.98 4.72 1.13 -0.07 -4.88 117.38 115.13 3i01 n GLN 443 Ca 0.01 -0.04 0.01 0.00 -1.94 0.00 0.00 57.00 55.04 3i01 n GLN 443 Cb 0.19 -1.12 -0.00 0.00 0.11 0.00 0.00 30.24 29.41 3i01 n GLN 443 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3i01 s ASN 444 N -2.54 -0.96 0.52 1.08 3.84 -1.10 -5.02 114.94 110.77 3i01 s ASN 444 Ca 0.01 -0.52 0.27 0.00 0.21 0.00 0.00 52.86 52.83 3i01 s ASN 444 Cb 0.08 1.23 1.46 0.00 -0.55 0.00 0.00 41.25 43.47 3i01 s ASN 444 CO 0.47 -0.10 2.08 0.00 -2.79 0.00 0.00 177.10 176.75 3i01 h ALA 445 N 6.16 1.30 0.00 1.71 0.00 -1.73 -2.78 119.26 123.91 3i01 h ALA 445 Ca 0.01 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 445 Cb 1.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3i01 h ALA 445 CO 0.01 0.14 -0.89 1.96 0.00 0.00 0.00 179.25 180.48 3i01 h GLN 446 N 0.00 0.00 -1.08 0.00 7.50 -1.97 -3.40 115.11 116.16 3i01 h GLN 446 Ca -0.00 0.00 -0.39 0.00 0.50 0.00 0.00 58.65 58.76 3i01 h GLN 446 Cb 0.32 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 27.57 3i01 h GLN 446 CO 0.01 0.71 -0.84 -1.71 -1.50 0.00 0.00 178.83 175.50 3i01 n ASN 447 N -3.24 -0.93 -0.28 1.46 2.85 -1.18 -5.03 115.26 108.91 3i01 n ASN 447 Ca -0.01 -3.16 0.10 0.00 -0.11 0.00 0.00 54.58 51.40 3i01 n ASN 447 Cb 0.86 0.53 0.25 0.00 1.24 0.00 0.00 39.78 42.65 3i01 n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i01 h PRO 448 N 3.49 0.35 0.00 1.20 0.11 -1.72 -1.52 132.00 133.91 3i01 h PRO 448 Ca -0.01 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3i01 h PRO 448 Cb 0.99 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3i01 h PRO 448 CO 0.36 0.23 -0.09 0.97 -0.21 0.00 0.00 178.00 179.27 3i01 h ILE 449 N 0.36 0.40 -0.81 4.15 6.09 -1.91 -2.12 117.51 123.67 3i01 h ILE 449 Ca 0.49 -0.47 0.09 0.00 -1.37 0.00 0.00 64.86 63.60 3i01 h ILE 449 Cb 0.89 1.33 -0.06 0.00 0.47 0.00 0.00 36.82 39.45 3i01 h ILE 449 CO -0.51 0.09 0.53 -0.09 -3.07 0.00 0.00 178.15 175.09 3i01 h ARG 450 N 0.00 0.76 -0.66 2.19 9.65 -1.65 0.14 114.38 124.81 3i01 h ARG 450 Ca -0.00 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 3i01 h ARG 450 Cb 0.32 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 3i01 h ARG 450 CO 0.01 0.50 0.40 0.28 2.80 0.00 0.00 179.97 183.96 3i01 h VAL 451 N 0.78 1.06 0.10 0.20 2.07 -1.49 0.28 116.25 119.25 3i01 h VAL 451 Ca 0.37 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3i01 h VAL 451 Cb 0.40 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3i01 h VAL 451 CO -0.14 0.14 -0.05 0.25 0.02 0.00 0.00 177.57 177.79 3i01 h LEU 452 N 0.77 -0.11 -0.83 2.57 5.85 -1.37 -2.99 115.31 119.19 3i01 h LEU 452 Ca 0.27 -0.40 0.17 0.00 0.84 0.00 0.00 57.88 58.76 3i01 h LEU 452 Cb 0.06 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.01 3i01 h LEU 452 CO -0.12 0.38 0.36 0.78 -0.34 0.00 0.00 178.44 179.50 3i01 h ASN 453 N -0.65 0.35 0.19 1.25 2.35 -0.68 -2.35 115.58 116.04 3i01 h ASN 453 Ca -0.01 0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 3i01 h ASN 453 Cb 0.51 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3i01 h ASN 453 CO 0.02 0.09 -0.52 -0.61 -1.65 0.00 0.00 177.43 174.77 3i01 h GLN 454 N 0.47 0.36 -0.17 0.81 5.75 -0.51 0.47 115.11 122.29 3i01 h GLN 454 Ca 0.48 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.65 3i01 h GLN 454 Cb 0.79 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 3i01 h GLN 454 CO -0.44 0.79 -0.38 0.00 -2.65 0.00 0.00 178.83 176.14 3i01 h ALA 455 N 1.17 1.03 -0.06 3.38 0.00 -1.28 0.59 119.26 124.09 3i01 h ALA 455 Ca 0.01 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 3i01 h ALA 455 Cb 1.01 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3i01 h ALA 455 CO 0.09 0.60 -0.64 0.82 0.00 0.00 0.00 179.25 180.11 3i01 h ILE 456 N 0.31 1.36 -0.32 0.00 2.04 -1.04 0.22 117.51 120.08 3i01 h ILE 456 Ca 0.03 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 63.87 3i01 h ILE 456 Cb 0.82 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 3i01 h ILE 456 CO 0.07 0.60 0.05 -0.07 0.00 0.00 0.00 178.15 178.79 3i01 h LEU 457 N 0.14 0.44 0.00 1.44 3.38 -0.49 -2.78 115.31 117.43 3i01 h LEU 457 Ca -0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i01 h LEU 457 Cb 1.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3i01 h LEU 457 CO 0.13 0.47 -0.15 0.47 0.09 0.00 0.00 178.44 179.44 3i01 n ASP 458 N -4.33 0.51 0.00 -0.43 8.00 0.16 -4.93 116.55 115.53 3i01 n ASP 458 Ca 0.01 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.91 3i01 n ASP 458 Cb 0.20 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3i01 n ASP 458 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i01 n GLY 459 N 1.39 0.74 0.20 0.44 0.00 -1.05 -4.95 105.19 101.96 3i01 n GLY 459 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3i01 n GLY 459 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i01 h GLU 460 N 3.61 0.67 -6.28 1.61 4.81 -1.27 -3.44 114.58 114.29 3i01 h GLU 460 Ca 0.00 -0.45 -0.66 0.00 -0.13 0.00 0.00 59.36 58.11 3i01 h GLU 460 Cb 0.00 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 29.31 3i01 h GLU 460 CO 0.00 1.07 -0.67 -0.51 -0.73 0.00 0.00 179.01 178.18 3i01 s LEU 461 N -8.71 3.40 0.45 1.64 1.43 -0.38 -3.87 118.68 112.64 3i01 s LEU 461 Ca -0.12 -0.13 0.25 0.00 -1.03 0.00 0.00 54.13 53.10 3i01 s LEU 461 Cb 0.08 -2.04 0.63 0.00 0.03 0.00 0.00 46.19 44.88 3i01 s LEU 461 CO 0.85 0.23 1.71 0.00 0.23 0.00 0.00 176.35 179.37 3i01 h ALA 462 N 3.96 0.97 0.00 4.21 0.00 -1.44 -3.38 119.26 123.58 3i01 h ALA 462 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3i01 h ALA 462 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i01 h ALA 462 CO 0.57 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3i01 n GLY 463 N 0.75 0.51 3.42 0.00 0.00 -1.26 -4.68 105.19 103.93 3i01 n GLY 463 Ca 0.03 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 3i01 n GLY 463 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 464 N -2.30 2.70 -0.04 1.61 1.01 -0.28 -1.48 120.40 121.63 3i01 s VAL 464 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3i01 s VAL 464 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3i01 s VAL 464 CO 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 175.10 175.56 3i01 s ALA 465 N -0.67 1.17 -0.25 5.51 0.00 -0.74 -1.02 121.76 125.76 3i01 s ALA 465 Ca 0.11 -0.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 3i01 s ALA 465 Cb -0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 3i01 s ALA 465 CO 0.00 0.19 0.15 -1.17 0.00 0.00 0.00 175.76 174.94 3i01 s LEU 466 N 0.18 3.99 -0.16 0.00 2.96 0.13 -1.14 118.68 124.65 3i01 s LEU 466 Ca -0.05 0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 3i01 s LEU 466 Cb -0.11 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3i01 s LEU 466 CO 0.01 0.02 0.04 -0.63 -1.32 0.00 0.00 176.35 174.47 3i01 s ILE 467 N 1.33 4.57 0.33 6.68 -1.09 0.13 -0.45 121.20 132.69 3i01 s ILE 467 Ca 0.07 -0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.34 3i01 s ILE 467 Cb -0.15 -3.02 -0.00 0.00 -1.58 0.00 0.00 42.46 37.71 3i01 s ILE 467 CO 0.07 0.50 0.45 0.00 -1.23 0.00 0.00 174.94 174.72 3i01 n GLY 469 N -0.54 -2.58 0.00 0.00 0.00 -1.26 -4.21 105.19 96.61 3i01 n GLY 469 Ca 0.01 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3i01 n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ASN 471 N -1.00 5.50 -0.23 0.00 0.02 -1.20 -4.32 114.94 113.71 3i01 s ASN 471 Ca 0.00 -0.20 -0.04 0.00 -1.02 0.00 0.00 52.86 51.60 3i01 s ASN 471 Cb 0.00 -1.41 0.12 0.00 0.02 0.00 0.00 41.25 39.98 3i01 s ASN 471 CO 0.00 0.01 0.39 0.21 0.02 0.00 0.00 177.10 177.73 3i01 s ASN 472 N -3.50 0.08 0.00 -1.22 3.84 -1.07 -4.36 114.94 108.71 3i01 s ASN 472 Ca 0.32 0.45 0.08 0.00 0.21 0.00 0.00 52.86 53.92 3i01 s ASN 472 Cb -0.09 1.19 0.47 0.00 -0.55 0.00 0.00 41.25 42.27 3i01 s ASN 472 CO 0.24 -0.28 0.95 0.18 -2.79 0.00 0.00 177.10 175.40 3i01 n LEU 473 N 5.37 0.00 -0.29 3.21 4.77 -1.26 -1.78 117.00 127.02 3i01 n LEU 473 Ca -0.05 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3i01 n LEU 473 Cb 0.50 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.86 3i01 n LEU 473 CO 0.04 0.00 1.24 0.11 -1.33 0.00 0.00 177.39 177.45 3i01 h LYS 474 N 0.00 0.93 -6.24 3.23 1.57 -1.96 -3.41 116.57 110.69 3i01 h LYS 474 Ca 0.00 -0.06 -0.63 0.00 -1.87 0.00 0.00 60.65 58.09 3i01 h LYS 474 Cb 0.00 -0.21 -0.10 0.00 0.08 0.00 0.00 32.23 32.01 3i01 h LYS 474 CO 0.00 0.62 -0.61 0.20 -0.57 0.00 0.00 179.45 179.08 3i01 s GLY 475 N -3.46 1.94 0.13 3.86 0.00 -0.73 -1.85 107.32 107.20 3i01 s GLY 475 Ca -0.11 -1.09 -0.35 0.00 0.00 0.00 0.00 44.72 43.17 3i01 s GLY 475 CO 0.80 -1.07 1.44 0.69 0.00 0.00 0.00 173.10 174.95 3i01 n PHE 476 N 0.34 1.85 -1.68 1.90 3.01 -1.26 -4.65 117.46 116.97 3i01 n PHE 476 Ca -0.09 0.47 -0.57 0.00 1.01 0.00 0.00 57.45 58.27 3i01 n PHE 476 Cb 0.52 -2.42 -0.07 0.00 -0.01 0.00 0.00 39.48 37.50 3i01 n PHE 476 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3i01 n GLN 477 N 2.86 1.02 -0.21 -1.08 7.27 0.75 -2.07 117.38 125.92 3i01 n GLN 477 Ca 0.17 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.62 3i01 n GLN 477 Cb 0.24 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 30.86 3i01 n GLN 477 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3i01 n ASP 478 N 4.52 0.00 -0.31 1.69 8.00 -1.26 -2.00 116.55 127.19 3i01 n ASP 478 Ca 0.25 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.71 3i01 n ASP 478 Cb 0.13 -0.17 0.08 0.00 -0.02 0.00 0.00 41.12 41.14 3i01 n ASP 478 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3i01 h ASN 479 N 0.00 1.04 0.18 -2.24 -1.24 -1.78 -1.56 115.58 109.96 3i01 h ASN 479 Ca 0.00 -0.09 -0.26 0.00 0.71 0.00 0.00 56.30 56.66 3i01 h ASN 479 Cb 0.00 -0.26 0.02 0.00 0.73 0.00 0.00 38.32 38.81 3i01 h ASN 479 CO 0.00 0.82 -1.19 0.28 -1.29 0.00 0.00 177.43 176.05 3i01 h SER 480 N 1.17 0.58 -0.44 1.15 0.02 -1.89 -1.89 113.55 112.25 3i01 h SER 480 Ca 0.30 -0.93 0.08 0.00 -0.84 0.00 0.00 61.79 60.40 3i01 h SER 480 Cb 0.00 -0.19 -0.09 0.00 0.14 0.00 0.00 62.40 62.26 3i01 h SER 480 CO -0.05 1.56 -0.39 0.45 -1.14 0.00 0.00 176.83 177.26 3i01 h HIS 481 N -0.17 -1.11 -0.48 3.45 3.86 -1.87 -1.18 115.15 117.65 3i01 h HIS 481 Ca -0.22 0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3i01 h HIS 481 Cb 1.86 0.55 -0.02 0.00 1.06 0.00 0.00 27.41 30.85 3i01 h HIS 481 CO 0.16 -0.42 0.17 -0.07 0.86 0.00 0.00 177.93 178.63 3i01 h LEU 482 N -0.28 0.68 -0.38 2.43 -0.00 -1.35 0.97 115.31 117.38 3i01 h LEU 482 Ca 0.16 -0.19 -0.14 0.00 -0.00 0.00 0.00 57.88 57.71 3i01 h LEU 482 Cb 0.57 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 3i01 h LEU 482 CO -0.59 0.68 -0.32 0.74 -0.00 0.00 0.00 178.44 178.95 3i01 h THR 483 N 0.63 1.28 -0.22 0.22 2.02 -1.18 -1.06 112.91 114.61 3i01 h THR 483 Ca 0.16 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 3i01 h THR 483 Cb 0.23 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3i01 h THR 483 CO -0.01 0.50 0.09 0.58 0.37 0.00 0.00 175.52 177.05 3i01 h VAL 484 N 0.69 1.16 0.11 3.16 2.07 -1.15 -2.39 116.25 119.90 3i01 h VAL 484 Ca 0.07 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3i01 h VAL 484 Cb 0.91 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3i01 h VAL 484 CO 0.08 0.16 -0.05 0.24 0.02 0.00 0.00 177.57 178.02 3i01 h MET 485 N 0.20 -0.15 -0.59 1.57 2.07 -0.67 -2.23 114.93 115.13 3i01 h MET 485 Ca 0.07 0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.71 3i01 h MET 485 Cb 0.17 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.90 3i01 h MET 485 CO -0.01 -0.02 0.34 0.87 1.07 0.00 0.00 176.91 179.17 3i01 h LYS 486 N -0.24 0.80 -0.14 1.72 1.57 -1.20 0.24 116.57 119.31 3i01 h LYS 486 Ca -0.02 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 3i01 h LYS 486 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3i01 h LYS 486 CO 0.03 0.57 -0.48 1.49 -0.57 0.00 0.00 179.45 180.49 3i01 h GLU 487 N 0.81 0.37 -0.08 3.15 4.57 -1.38 -2.27 114.58 119.76 3i01 h GLU 487 Ca 0.21 -0.21 -0.20 0.00 -1.18 0.00 0.00 59.36 57.99 3i01 h GLU 487 Cb -0.01 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3i01 h GLU 487 CO -0.04 0.77 -0.71 -0.07 -1.18 0.00 0.00 179.01 177.78 3i01 h LEU 488 N 0.30 0.77 -0.65 1.64 3.38 -0.99 -2.38 115.31 117.38 3i01 h LEU 488 Ca 0.02 -0.68 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 3i01 h LEU 488 Cb 0.96 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3i01 h LEU 488 CO 0.08 1.33 0.28 -0.07 0.09 0.00 0.00 178.44 180.15 3i01 h LEU 489 N 0.27 0.88 -1.15 1.67 3.38 -1.00 -0.81 115.31 118.54 3i01 h LEU 489 Ca -0.07 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.86 3i01 h LEU 489 Cb 1.36 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 3i01 h LEU 489 CO 0.14 0.79 0.60 0.50 0.09 0.00 0.00 178.44 180.56 3i01 h LYS 490 N 0.91 0.86 -0.79 1.13 3.64 -1.33 -1.22 116.57 119.78 3i01 h LYS 490 Ca 0.22 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3i01 h LYS 490 Cb 0.17 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 3i01 h LYS 490 CO -0.02 0.57 0.13 0.09 -2.27 0.00 0.00 179.45 177.95 3i01 n ASN 491 N -4.57 4.13 -1.68 4.20 3.02 -0.90 -3.50 115.26 115.97 3i01 n ASN 491 Ca 0.17 -2.79 -0.14 0.00 -0.03 0.00 0.00 54.58 51.79 3i01 n ASN 491 Cb 0.36 -0.66 -0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3i01 n ASN 491 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i01 n ASN 492 N 0.14 -4.39 -4.79 6.41 3.02 -0.82 -4.41 115.26 110.42 3i01 n ASN 492 Ca 0.26 -0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 3i01 n ASN 492 Cb 1.03 -3.52 -0.06 0.00 -0.61 0.00 0.00 39.78 36.62 3i01 n ASN 492 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i01 s VAL 493 N -2.74 4.73 -0.53 2.41 1.01 -0.35 -1.39 120.40 123.54 3i01 s VAL 493 Ca 0.02 1.33 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 3i01 s VAL 493 Cb -0.01 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3i01 s VAL 493 CO 0.03 0.50 1.20 0.12 0.00 0.00 0.00 175.10 176.94 3i01 s PHE 494 N -0.77 2.66 -0.27 5.22 5.36 -0.55 -4.52 117.98 125.12 3i01 s PHE 494 Ca 0.31 0.56 -0.09 0.00 -0.96 0.00 0.00 56.93 56.75 3i01 s PHE 494 Cb -0.20 -4.47 -0.04 0.00 -0.34 0.00 0.00 43.02 37.97 3i01 s PHE 494 CO 0.20 -1.50 0.13 0.08 -1.46 0.00 0.00 175.22 172.67 3i01 s VAL 495 N 4.84 4.78 0.17 3.12 1.01 -1.26 -1.79 120.40 131.28 3i01 s VAL 495 Ca 0.47 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.46 3i01 s VAL 495 Cb -0.08 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3i01 s VAL 495 CO 0.29 0.28 0.12 0.68 0.00 0.00 0.00 175.10 176.46 3i01 s VAL 496 N 1.68 4.40 0.06 2.92 -7.23 -0.29 -1.08 120.40 120.86 3i01 s VAL 496 Ca 0.07 -1.13 -0.13 0.00 -1.81 0.00 0.00 61.98 58.97 3i01 s VAL 496 Cb -0.16 -3.25 0.02 0.00 0.56 0.00 0.00 36.38 33.56 3i01 s VAL 496 CO 0.07 -0.12 0.30 0.00 -0.31 0.00 0.00 175.10 175.05 3i01 s ALA 497 N -1.76 -0.66 0.27 1.32 0.00 -0.63 -0.69 121.76 119.61 3i01 s ALA 497 Ca 0.31 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 3i01 s ALA 497 Cb -0.10 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 3i01 s ALA 497 CO 0.23 -0.46 0.34 0.95 0.00 0.00 0.00 175.76 176.83 3i01 s THR 498 N -2.88 0.00 0.00 0.00 -4.23 -0.50 -0.91 115.64 107.12 3i01 s THR 498 Ca -0.03 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3i01 s THR 498 Cb 0.00 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3i01 s THR 498 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3i01 n GLY 499 N -0.43 1.67 0.25 3.99 0.00 -0.54 -1.67 105.19 108.46 3i01 n GLY 499 Ca 0.01 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.67 3i01 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 h SER 501 N 0.00 -0.04 0.46 0.00 0.87 -1.10 -0.37 113.55 113.36 3i01 h SER 501 Ca -0.00 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 3i01 h SER 501 Cb 0.64 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3i01 h SER 501 CO 0.01 -0.01 -0.41 0.00 -0.53 0.00 0.00 176.83 175.89 3i01 h ALA 502 N 1.08 1.27 -0.21 6.23 0.00 -0.83 -2.28 119.26 124.51 3i01 h ALA 502 Ca 0.04 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3i01 h ALA 502 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i01 h ALA 502 CO -0.08 0.51 -0.42 1.96 0.00 0.00 0.00 179.25 181.22 3i01 h GLN 503 N 0.00 0.52 -0.20 0.00 4.20 -1.12 -0.33 115.11 118.17 3i01 h GLN 503 Ca -0.00 -0.27 0.04 0.00 0.06 0.00 0.00 58.65 58.48 3i01 h GLN 503 Cb 0.75 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 3i01 h GLN 503 CO 0.05 0.85 -0.07 0.00 -0.67 0.00 0.00 178.83 178.99 3i01 h ALA 504 N 1.12 0.11 -0.06 3.87 0.00 -0.59 0.32 119.26 124.02 3i01 h ALA 504 Ca 0.03 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i01 h ALA 504 Cb 0.92 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3i01 h ALA 504 CO 0.08 -0.49 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 3i01 h ALA 505 N 1.16 0.01 -0.08 0.00 0.00 -1.31 -2.22 119.26 116.82 3i01 h ALA 505 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i01 h ALA 505 Cb 0.19 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3i01 h ALA 505 CO -0.23 -0.52 -0.08 0.78 0.00 0.00 0.00 179.25 179.21 3i01 h GLY 506 N -0.05 -0.01 1.32 0.00 0.00 -0.49 -0.55 103.07 103.28 3i01 h GLY 506 Ca 0.04 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.53 3i01 h GLY 506 CO -0.10 -0.09 0.30 0.50 0.00 0.00 0.00 176.54 177.16 3i01 h LYS 507 N -0.09 0.32 -0.05 4.80 1.57 -0.31 -3.27 116.57 119.53 3i01 h LYS 507 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3i01 h LYS 507 Cb 0.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3i01 h LYS 507 CO -0.14 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3i01 n LEU 508 N -4.47 1.72 0.00 2.94 4.77 -0.84 -4.54 117.00 116.57 3i01 n LEU 508 Ca 0.06 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 3i01 n LEU 508 Cb 0.28 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3i01 n LEU 508 CO 0.35 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3i01 n GLY 509 N 0.14 0.84 0.05 -0.72 0.00 -0.53 -4.97 105.19 100.00 3i01 n GLY 509 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3i01 n GLY 509 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i01 n LEU 510 N 0.00 0.33 -1.56 0.99 4.32 -0.33 -2.50 117.00 118.26 3i01 n LEU 510 Ca 0.00 0.16 0.10 0.00 -0.02 0.00 0.00 56.01 56.25 3i01 n LEU 510 Cb 0.00 -0.30 0.36 0.00 -1.62 0.00 0.00 43.42 41.85 3i01 n LEU 510 CO 0.00 0.07 0.81 0.18 -1.22 0.00 0.00 177.39 177.23 3i01 n LEU 511 N -1.28 4.61 -4.45 2.23 4.77 -1.21 -2.59 117.00 119.09 3i01 n LEU 511 Ca 0.10 -2.32 -0.40 0.00 -0.03 0.00 0.00 56.01 53.36 3i01 n LEU 511 Cb 0.31 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 3i01 n LEU 511 CO 0.28 0.86 -0.17 -0.62 -1.33 0.00 0.00 177.39 176.41 3i01 s ASP 512 N -0.92 5.75 0.53 -1.43 -1.08 -1.04 -1.19 116.67 117.30 3i01 s ASP 512 Ca 0.51 -0.61 0.34 0.00 -0.52 0.00 0.00 52.55 52.28 3i01 s ASP 512 Cb 0.32 -2.05 1.51 0.00 -1.46 0.00 0.00 42.92 41.23 3i01 s ASP 512 CO 0.27 -0.26 1.83 -0.65 0.52 0.00 0.00 175.17 176.89 3i01 h PRO 513 N 8.42 0.02 0.00 4.34 0.11 -1.89 0.24 132.00 143.24 3i01 h PRO 513 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3i01 h PRO 513 Cb 1.14 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i01 h PRO 513 CO 0.64 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 3i01 n ALA 514 N -2.74 1.27 0.91 -0.75 0.00 -1.26 -2.35 120.51 115.59 3i01 n ALA 514 Ca 0.23 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.80 3i01 n ALA 514 Cb 1.13 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 19.51 3i01 n ALA 514 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i01 n ASN 515 N -1.67 2.72 -0.17 0.00 3.02 0.84 -4.41 115.26 115.59 3i01 n ASN 515 Ca 0.01 -1.86 -0.04 0.00 -0.03 0.00 0.00 54.58 52.66 3i01 n ASN 515 Cb 0.08 0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.32 3i01 n ASN 515 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3i01 h VAL 516 N 4.06 0.29 0.00 2.41 2.07 -1.57 -1.54 116.25 121.97 3i01 h VAL 516 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3i01 h VAL 516 Cb 0.89 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3i01 h VAL 516 CO 0.00 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.39 3i01 h GLU 517 N -0.13 0.00 0.00 1.57 4.57 -1.82 -1.35 114.58 117.42 3i01 h GLU 517 Ca 0.23 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.22 3i01 h GLU 517 Cb 0.50 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 3i01 h GLU 517 CO -0.59 0.12 -0.93 0.00 -1.18 0.00 0.00 179.01 176.43 3i01 h THR 518 N 0.00 1.48 0.00 0.32 1.03 -1.58 -3.40 112.91 110.76 3i01 h THR 518 Ca -0.00 -3.12 -0.18 0.00 -0.01 0.00 0.00 66.41 63.10 3i01 h THR 518 Cb 0.25 2.73 -0.03 0.00 -1.07 0.00 0.00 68.15 70.02 3i01 h THR 518 CO 0.02 0.84 -1.68 -1.22 -0.01 0.00 0.00 175.52 173.47 3i01 n TYR 519 N -3.30 0.00 -3.31 0.00 0.53 -0.68 -5.03 117.16 105.37 3i01 n TYR 519 Ca -0.00 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.49 3i01 n TYR 519 Cb 0.90 -0.49 -0.06 0.00 -1.03 0.00 0.00 39.34 38.66 3i01 n TYR 519 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i01 n GLY 521 N 3.44 -1.86 0.26 0.00 0.00 -0.53 -4.60 105.19 101.91 3i01 n GLY 521 Ca -0.07 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.03 3i01 n GLY 521 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i01 h ASP 522 N -2.27 0.32 0.23 1.61 3.32 -1.91 -0.62 116.42 117.10 3i01 h ASP 522 Ca -0.54 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 3i01 h ASP 522 Cb 1.32 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3i01 h ASP 522 CO 0.43 0.40 -0.11 1.23 -1.72 0.00 0.00 179.24 179.47 3i01 h GLY 523 N 0.68 -0.32 0.98 2.75 0.00 -1.91 -1.45 103.07 103.80 3i01 h GLY 523 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3i01 h GLY 523 CO 0.01 -0.12 0.09 -2.00 0.00 0.00 0.00 176.54 174.52 3i01 h LEU 524 N -0.65 0.15 -0.32 3.11 5.85 -1.62 -0.91 115.31 120.91 3i01 h LEU 524 Ca -0.03 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3i01 h LEU 524 Cb 0.46 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3i01 h LEU 524 CO 0.05 0.11 -0.01 0.50 -0.34 0.00 0.00 178.44 178.75 3i01 h LYS 525 N 0.18 0.08 -0.50 1.25 3.64 -1.14 0.32 116.57 120.39 3i01 h LYS 525 Ca 0.05 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3i01 h LYS 525 Cb -0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3i01 h LYS 525 CO -0.02 0.05 -0.09 0.78 -2.27 0.00 0.00 179.45 177.90 3i01 h GLY 526 N 0.08 1.00 0.81 5.01 0.00 -1.15 0.87 103.07 109.68 3i01 h GLY 526 Ca 0.16 -0.77 0.03 0.00 0.00 0.00 0.00 47.33 46.75 3i01 h GLY 526 CO -0.27 0.70 0.21 -2.75 0.00 0.00 0.00 176.54 174.43 3i01 h PHE 527 N 0.83 0.38 -0.55 5.60 3.57 -0.34 -2.01 116.94 124.42 3i01 h PHE 527 Ca 0.14 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3i01 h PHE 527 Cb 0.62 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3i01 h PHE 527 CO 0.04 0.20 0.07 -0.07 -2.23 0.00 0.00 178.31 176.32 3i01 h LEU 528 N 0.42 0.89 -1.14 0.59 3.38 -0.02 -2.34 115.31 117.09 3i01 h LEU 528 Ca 0.17 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3i01 h LEU 528 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3i01 h LEU 528 CO -0.12 0.94 -0.08 0.11 0.09 0.00 0.00 178.44 179.38 3i01 h LYS 529 N 0.81 0.50 -0.36 1.13 1.79 -0.75 0.16 116.57 119.85 3i01 h LYS 529 Ca 0.16 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 3i01 h LYS 529 Cb 0.44 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 3i01 h LYS 529 CO 0.01 0.59 -0.18 -0.09 -1.08 0.00 0.00 179.45 178.71 3i01 h ARG 530 N 0.47 0.75 -0.56 3.15 2.43 -1.31 -1.16 114.38 118.16 3i01 h ARG 530 Ca 0.09 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 58.95 3i01 h ARG 530 Cb 0.44 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3i01 h ARG 530 CO 0.02 0.94 0.34 -0.07 -1.51 0.00 0.00 179.97 179.70 3i01 h LEU 531 N 0.54 0.56 -0.45 3.80 3.38 -1.25 -2.32 115.31 119.58 3i01 h LEU 531 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3i01 h LEU 531 Cb 0.72 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3i01 h LEU 531 CO 0.05 0.40 -0.50 1.23 0.09 0.00 0.00 178.44 179.72 3i01 h GLY 532 N 0.68 0.80 0.93 0.83 0.00 -0.73 -2.99 103.07 102.59 3i01 h GLY 532 Ca 0.22 -0.89 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 3i01 h GLY 532 CO -0.09 0.80 -0.01 0.83 0.00 0.00 0.00 176.54 178.07 3i01 h GLU 533 N 0.58 0.65 0.00 4.80 5.08 -1.26 -3.27 114.58 121.16 3i01 h GLU 533 Ca 0.03 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3i01 h GLU 533 Cb 1.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3i01 h GLU 533 CO 0.10 0.77 0.00 0.78 -1.00 0.00 0.00 179.01 179.66 3i01 h GLY 534 N 0.47 0.00 0.04 -3.84 0.00 -1.31 -3.32 103.07 95.11 3i01 h GLY 534 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 3i01 h GLY 534 CO 0.02 0.00 -2.08 0.00 0.00 0.00 0.00 176.54 174.49 3i01 n ALA 535 N -1.89 2.41 -3.60 3.60 0.00 -1.14 -4.92 120.51 114.97 3i01 n ALA 535 Ca 0.01 -0.75 -0.26 0.00 0.00 0.00 0.00 53.44 52.44 3i01 n ALA 535 Cb 0.21 -0.60 0.03 0.00 0.00 0.00 0.00 19.45 19.09 3i01 n ALA 535 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i01 n ASN 536 N -2.42 -5.65 -4.54 0.00 4.13 -1.25 -4.94 115.26 100.59 3i01 n ASN 536 Ca -0.12 -0.87 -0.42 0.00 1.68 0.00 0.00 54.58 54.85 3i01 n ASN 536 Cb 0.74 -3.40 -0.08 0.00 -1.54 0.00 0.00 39.78 35.51 3i01 n ASN 536 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3i01 s ILE 537 N -3.32 5.00 -2.00 2.41 -1.16 -1.26 -4.94 121.20 115.93 3i01 s ILE 537 Ca 0.33 0.18 0.11 0.00 -0.51 0.00 0.00 60.65 60.76 3i01 s ILE 537 Cb -0.12 -4.01 0.31 0.00 0.61 0.00 0.00 42.46 39.25 3i01 s ILE 537 CO 0.85 -0.31 1.09 -0.62 -2.81 0.00 0.00 174.94 173.14 3i01 n GLU 538 N 5.80 0.51 0.00 3.50 -0.58 -1.26 -4.32 120.64 124.29 3i01 n GLU 538 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3i01 n GLU 538 Cb 0.48 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 3i01 n GLU 538 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3i01 n ILE 539 N -0.83 0.00 0.00 -3.67 -5.35 -1.26 -5.19 119.36 103.06 3i01 n ILE 539 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 3i01 n ILE 539 Cb 0.04 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 3i01 n ILE 539 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i01 n GLY 540 N 2.55 2.38 3.73 3.28 0.00 -1.26 -5.09 105.19 110.77 3i01 n GLY 540 Ca 0.00 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 3i01 n GLY 540 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i01 s LEU 541 N 0.00 4.24 0.75 0.99 1.43 -1.26 -4.85 118.68 119.98 3i01 s LEU 541 Ca 0.00 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.50 3i01 s LEU 541 Cb 0.00 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 43.91 3i01 s LEU 541 CO 0.00 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.61 3i01 s PRO 542 N 0.50 2.21 0.16 1.29 0.04 -1.26 -4.30 135.00 133.63 3i01 s PRO 542 Ca 0.16 0.04 -0.08 0.00 0.04 0.00 0.00 61.00 61.16 3i01 s PRO 542 Cb -0.13 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3i01 s PRO 542 CO 0.04 -1.36 1.48 -1.00 0.04 0.00 0.00 177.00 176.20 3i01 h PRO 543 N -0.81 0.77 -6.12 0.56 0.13 -1.78 -3.44 132.00 121.31 3i01 h PRO 543 Ca -0.45 -0.45 -0.68 0.00 -0.87 0.00 0.00 66.00 63.54 3i01 h PRO 543 Cb 1.31 0.04 -0.20 0.00 0.13 0.00 0.00 31.00 32.27 3i01 h PRO 543 CO 0.64 1.08 -0.71 0.08 -0.23 0.00 0.00 178.00 178.85 3i01 s VAL 544 N -4.18 3.53 -0.46 1.56 1.01 -1.07 -4.53 120.40 116.26 3i01 s VAL 544 Ca -0.09 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3i01 s VAL 544 Cb 0.11 -2.44 0.09 0.00 0.00 0.00 0.00 36.38 34.14 3i01 s VAL 544 CO 0.87 0.59 0.36 -0.36 0.00 0.00 0.00 175.10 176.55 3i01 s PHE 545 N -0.69 3.30 -0.45 5.22 0.40 -0.24 -4.73 117.98 120.78 3i01 s PHE 545 Ca 0.10 -1.30 -0.27 0.00 -0.60 0.00 0.00 56.93 54.86 3i01 s PHE 545 Cb -0.11 -3.23 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 3i01 s PHE 545 CO 0.01 -0.87 2.07 -1.58 0.70 0.00 0.00 175.22 175.55 3i01 s HIS 546 N 1.53 1.44 -2.54 0.36 2.46 -1.26 -1.60 115.29 115.67 3i01 s HIS 546 Ca 0.04 0.96 0.25 0.00 0.47 0.00 0.00 55.06 56.78 3i01 s HIS 546 Cb -0.25 -3.91 0.70 0.00 -0.13 0.00 0.00 32.58 28.99 3i01 s HIS 546 CO 0.04 -2.77 1.54 -1.33 -2.47 0.00 0.00 174.74 169.74 3i01 n MET 547 N 8.90 1.94 0.00 2.88 2.81 -0.09 -2.35 117.12 131.21 3i01 n MET 547 Ca 0.27 -1.38 0.00 0.00 -1.81 0.00 0.00 57.70 54.78 3i01 n MET 547 Cb 0.51 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3i01 n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i01 n GLY 548 N 1.24 0.28 3.79 3.03 0.00 -1.25 -4.69 105.19 107.60 3i01 n GLY 548 Ca 0.17 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 3i01 n GLY 548 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i01 s SER 549 N -4.00 3.06 0.20 1.61 1.04 -1.26 -1.47 113.70 112.88 3i01 s SER 549 Ca 0.00 0.78 -0.10 0.00 0.48 0.00 0.00 55.95 57.10 3i01 s SER 549 Cb 0.00 -1.20 0.21 0.00 0.10 0.00 0.00 66.02 65.12 3i01 s SER 549 CO 0.00 -2.81 1.80 0.00 0.98 0.00 0.00 173.24 173.21 3i01 h VAL 551 N 0.64 0.59 0.00 0.00 -1.51 -1.94 -0.38 116.25 113.65 3i01 h VAL 551 Ca 0.28 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.74 3i01 h VAL 551 Cb 0.16 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 3i01 h VAL 551 CO -0.17 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.65 3i01 n ASP 552 N -4.30 0.00 -0.17 4.19 8.00 0.10 -0.87 116.55 123.50 3i01 n ASP 552 Ca 0.17 -0.25 0.27 0.00 0.71 0.00 0.00 54.79 55.69 3i01 n ASP 552 Cb 0.89 -0.17 0.70 0.00 -0.02 0.00 0.00 41.12 42.52 3i01 n ASP 552 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3i01 h ASN 553 N 0.00 0.04 -0.39 -2.24 2.35 -0.95 -0.55 115.58 113.85 3i01 h ASN 553 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.83 3i01 h ASN 553 Cb 0.11 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3i01 h ASN 553 CO 0.00 0.02 0.27 0.77 -1.65 0.00 0.00 177.43 176.83 3i01 h SER 554 N 0.04 0.17 -0.06 5.81 4.64 -1.22 -1.73 113.55 121.21 3i01 h SER 554 Ca 0.42 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.59 3i01 h SER 554 Cb 1.60 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 3i01 h SER 554 CO -0.02 0.11 -0.46 0.03 -0.87 0.00 0.00 176.83 175.62 3i01 h ARG 555 N 0.20 0.61 -0.44 4.77 3.08 -1.31 -2.31 114.38 118.98 3i01 h ARG 555 Ca 0.18 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3i01 h ARG 555 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3i01 h ARG 555 CO -0.03 0.94 0.15 0.00 -1.07 0.00 0.00 179.97 179.96 3i01 h ALA 556 N 1.01 1.44 -0.11 0.04 0.00 -1.35 -0.79 119.26 119.50 3i01 h ALA 556 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3i01 h ALA 556 Cb 0.99 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i01 h ALA 556 CO 0.09 0.42 0.01 0.28 0.00 0.00 0.00 179.25 180.05 3i01 h VAL 557 N 0.62 1.24 -0.75 0.00 2.07 -1.29 -0.43 116.25 117.71 3i01 h VAL 557 Ca 0.15 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 67.03 3i01 h VAL 557 Cb 0.17 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 3i01 h VAL 557 CO -0.01 0.22 0.35 0.44 0.02 0.00 0.00 177.57 178.59 3i01 h ASP 558 N -0.07 0.42 -0.39 0.57 3.32 -1.31 0.16 116.42 119.12 3i01 h ASP 558 Ca 0.03 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3i01 h ASP 558 Cb 0.33 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3i01 h ASP 558 CO 0.00 0.21 0.24 0.25 -1.72 0.00 0.00 179.24 178.23 3i01 h LEU 559 N 0.56 0.47 -0.42 1.55 5.85 -0.88 0.18 115.31 122.62 3i01 h LEU 559 Ca 0.39 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.14 3i01 h LEU 559 Cb 0.49 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3i01 h LEU 559 CO -0.32 0.37 -0.03 0.25 -0.34 0.00 0.00 178.44 178.37 3i01 h LEU 560 N 0.52 -0.24 -0.49 2.25 5.85 -0.26 -1.20 115.31 121.73 3i01 h LEU 560 Ca 0.14 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3i01 h LEU 560 Cb -0.01 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3i01 h LEU 560 CO -0.03 -0.08 0.03 0.24 -0.34 0.00 0.00 178.44 178.26 3i01 h MET 561 N 0.07 0.85 -0.54 1.25 2.86 -0.58 0.13 114.93 118.98 3i01 h MET 561 Ca 0.21 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3i01 h MET 561 Cb 0.31 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 3i01 h MET 561 CO -0.37 0.88 0.26 0.00 1.06 0.00 0.00 176.91 178.73 3i01 h ALA 562 N 0.94 0.70 -0.49 6.32 0.00 -0.60 -1.05 119.26 125.08 3i01 h ALA 562 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i01 h ALA 562 Cb 0.48 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3i01 h ALA 562 CO 0.02 -0.10 0.31 0.52 0.00 0.00 0.00 179.25 180.00 3i01 h MET 563 N 0.50 0.66 0.21 0.00 2.07 -1.00 -2.14 114.93 115.24 3i01 h MET 563 Ca 0.25 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.81 3i01 h MET 563 Cb 0.19 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.78 3i01 h MET 563 CO -0.19 0.47 -0.10 0.00 1.07 0.00 0.00 176.91 178.16 3i01 h ALA 564 N 1.16 -0.28 -0.80 6.32 0.00 -0.55 -1.14 119.26 123.97 3i01 h ALA 564 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i01 h ALA 564 Cb -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3i01 h ALA 564 CO -0.04 -0.66 0.53 -0.91 0.00 0.00 0.00 179.25 178.17 3i01 h ASN 565 N -0.28 0.90 0.48 0.00 2.35 -1.17 -2.15 115.58 115.70 3i01 h ASN 565 Ca -0.03 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 3i01 h ASN 565 Cb 0.22 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3i01 h ASN 565 CO 0.05 0.64 -0.59 -0.78 -1.65 0.00 0.00 177.43 175.10 3i01 h ASP 566 N 1.05 0.12 1.10 5.81 1.82 -1.27 -2.98 116.42 122.08 3i01 h ASP 566 Ca 0.30 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 3i01 h ASP 566 Cb -0.08 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.89 3i01 h ASP 566 CO -0.07 0.68 0.00 0.18 -1.61 0.00 0.00 179.24 178.42 3i01 n LEU 567 N -3.86 0.73 -1.40 2.28 4.77 -0.44 -4.95 117.00 114.14 3i01 n LEU 567 Ca -0.02 0.62 -0.10 0.00 -0.03 0.00 0.00 56.01 56.48 3i01 n LEU 567 Cb 0.60 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3i01 n LEU 567 CO 0.43 -0.37 -0.03 0.61 -1.33 0.00 0.00 177.39 176.70 3i01 n GLY 568 N 0.66 0.09 3.23 -0.72 0.00 -0.85 -5.07 105.19 102.53 3i01 n GLY 568 Ca 0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3i01 n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i01 s VAL 569 N -2.73 0.77 0.70 1.61 -7.23 -0.99 -5.02 120.40 107.50 3i01 s VAL 569 Ca 0.10 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.15 3i01 s VAL 569 Cb -0.05 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.95 3i01 s VAL 569 CO 0.13 -0.62 1.11 -0.62 -0.31 0.00 0.00 175.10 174.79 3i01 s ASP 570 N -3.14 4.84 0.50 4.85 3.68 -1.26 -4.41 116.67 121.74 3i01 s ASP 570 Ca 0.20 1.98 0.24 0.00 2.13 0.00 0.00 52.55 57.10 3i01 s ASP 570 Cb 0.05 -2.55 1.33 0.00 -1.45 0.00 0.00 42.92 40.30 3i01 s ASP 570 CO 0.01 -1.81 1.95 0.71 0.13 0.00 0.00 175.17 176.16 3i01 h THR 571 N -0.33 0.70 0.00 1.71 1.35 -1.90 -0.06 112.91 114.38 3i01 h THR 571 Ca -0.46 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3i01 h THR 571 Cb 1.25 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3i01 h THR 571 CO 0.53 0.02 0.06 -0.65 -0.25 0.00 0.00 175.52 175.23 3i01 h PRO 572 N 0.11 0.00 -0.01 4.72 0.11 -1.83 -0.20 132.00 134.89 3i01 h PRO 572 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3i01 h PRO 572 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i01 h PRO 572 CO -0.04 0.00 -0.45 1.63 -0.21 0.00 0.00 178.00 178.93 3i01 n LYS 573 N -2.28 1.31 -2.82 1.05 5.02 -0.04 -4.93 118.16 115.48 3i01 n LYS 573 Ca -0.01 -0.96 -0.41 0.00 -2.02 0.00 0.00 58.31 54.90 3i01 n LYS 573 Cb 0.09 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 3i01 n LYS 573 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i01 s VAL 574 N -2.36 4.58 -1.26 -0.18 1.01 -0.09 -4.86 120.40 117.24 3i01 s VAL 574 Ca 0.17 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.88 3i01 s VAL 574 Cb 0.17 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3i01 s VAL 574 CO 0.54 0.34 1.87 -2.65 0.00 0.00 0.00 175.10 175.19 3i01 n PRO 575 N 2.78 2.68 -3.71 2.72 -0.02 -1.26 -4.82 135.00 133.36 3i01 n PRO 575 Ca 0.01 -2.90 -0.13 0.00 -2.02 0.00 0.00 63.50 58.45 3i01 n PRO 575 Cb 0.50 -3.48 -0.13 0.00 -0.02 0.00 0.00 33.50 30.36 3i01 n PRO 575 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i01 s PHE 576 N 5.66 -0.32 -0.00 6.00 5.36 -1.25 -1.12 117.98 132.29 3i01 s PHE 576 Ca 0.56 0.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.34 3i01 s PHE 576 Cb 0.05 -0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.72 3i01 s PHE 576 CO 0.07 -0.26 -0.08 0.08 -1.46 0.00 0.00 175.22 173.57 3i01 s VAL 577 N 1.57 0.65 0.07 3.12 1.01 -0.19 -4.17 120.40 122.46 3i01 s VAL 577 Ca -0.06 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3i01 s VAL 577 Cb -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3i01 s VAL 577 CO -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 175.10 175.16 3i01 s ALA 578 N -0.24 3.22 -0.12 5.51 0.00 -0.76 -0.69 121.76 128.68 3i01 s ALA 578 Ca 0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 3i01 s ALA 578 Cb -0.03 -1.16 0.06 0.00 0.00 0.00 0.00 23.12 21.98 3i01 s ALA 578 CO -0.00 0.68 0.24 0.45 0.00 0.00 0.00 175.76 177.13 3i01 s SER 579 N -2.12 0.31 -0.81 0.00 0.15 0.40 0.10 113.70 111.74 3i01 s SER 579 Ca 0.24 0.55 0.02 0.00 0.70 0.00 0.00 55.95 57.45 3i01 s SER 579 Cb -0.12 0.59 0.20 0.00 -1.71 0.00 0.00 66.02 64.99 3i01 s SER 579 CO 0.16 -0.23 0.69 0.00 1.20 0.00 0.00 173.24 175.05 3i01 n ALA 580 N 5.17 3.71 0.29 5.45 0.00 0.11 -0.57 120.51 134.68 3i01 n ALA 580 Ca -0.09 -4.60 0.17 0.00 0.00 0.00 0.00 53.44 48.92 3i01 n ALA 580 Cb 0.50 -1.37 0.89 0.00 0.00 0.00 0.00 19.45 19.47 3i01 n ALA 580 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i01 h PRO 581 N 5.55 0.00 -0.71 0.00 0.11 -1.80 -1.37 132.00 133.78 3i01 h PRO 581 Ca 0.16 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.91 3i01 h PRO 581 Cb 0.77 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.47 3i01 h PRO 581 CO 0.81 0.05 -1.03 0.39 -0.21 0.00 0.00 178.00 178.01 3i01 n GLU 582 N -3.36 2.20 -1.76 1.05 1.02 -1.26 -3.68 120.64 114.84 3i01 n GLU 582 Ca -0.02 -3.70 -0.40 0.00 -0.02 0.00 0.00 57.16 53.02 3i01 n GLU 582 Cb 0.19 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 29.88 3i01 n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i01 n ALA 583 N -0.51 2.04 0.11 0.62 0.00 -1.18 -2.58 120.51 119.00 3i01 n ALA 583 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3i01 n ALA 583 Cb 0.83 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3i01 n ALA 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i01 n MET 584 N -0.21 0.00 -1.43 0.00 0.00 -1.26 -4.70 117.12 109.52 3i01 n MET 584 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.42 3i01 n MET 584 Cb 0.41 -0.08 0.09 0.00 0.00 0.00 0.00 33.22 33.64 3i01 n MET 584 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3i01 s SER 585 N -5.12 4.41 0.47 6.12 1.04 -1.26 -4.88 113.70 114.48 3i01 s SER 585 Ca 0.00 2.12 0.19 0.00 0.48 0.00 0.00 55.95 58.74 3i01 s SER 585 Cb 0.00 -2.56 1.18 0.00 0.10 0.00 0.00 66.02 64.74 3i01 s SER 585 CO 0.00 -2.10 1.95 1.23 0.98 0.00 0.00 173.24 175.30 3i01 h GLY 586 N -0.51 0.42 0.97 7.32 0.00 -1.93 -2.42 103.07 106.92 3i01 h GLY 586 Ca -0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 3i01 h GLY 586 CO 0.50 0.04 0.24 0.50 0.00 0.00 0.00 176.54 177.83 3i01 h LYS 587 N 0.26 0.68 -0.70 4.80 1.57 -1.82 -1.45 116.57 119.90 3i01 h LYS 587 Ca 0.32 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3i01 h LYS 587 Cb 0.88 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3i01 h LYS 587 CO -0.07 0.55 0.45 0.00 -0.57 0.00 0.00 179.45 179.81 3i01 h ALA 588 N 1.09 0.90 -0.56 3.86 0.00 -1.83 -0.19 119.26 122.52 3i01 h ALA 588 Ca 0.17 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3i01 h ALA 588 Cb 0.09 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 3i01 h ALA 588 CO -0.02 0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.74 3i01 h ALA 589 N 1.24 0.68 -0.34 0.00 0.00 -1.26 -1.78 119.26 117.81 3i01 h ALA 589 Ca 0.26 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3i01 h ALA 589 Cb -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i01 h ALA 589 CO -0.05 -0.24 0.10 0.00 0.00 0.00 0.00 179.25 179.05 3i01 h ALA 590 N 1.40 0.44 -0.68 0.00 0.00 -0.92 -1.93 119.26 117.58 3i01 h ALA 590 Ca 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3i01 h ALA 590 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3i01 h ALA 590 CO -0.31 0.09 0.34 0.82 0.00 0.00 0.00 179.25 180.19 3i01 h ILE 591 N 0.39 1.22 -0.11 0.00 2.04 -0.96 0.03 117.51 120.12 3i01 h ILE 591 Ca 0.11 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3i01 h ILE 591 Cb 0.27 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3i01 h ILE 591 CO -0.00 0.25 -0.19 1.23 0.00 0.00 0.00 178.15 179.44 3i01 h GLY 592 N 0.94 0.20 0.94 5.37 0.00 -1.25 -0.42 103.07 108.84 3i01 h GLY 592 Ca 0.24 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.28 3i01 h GLY 592 CO -0.03 0.12 -0.52 -0.84 0.00 0.00 0.00 176.54 175.27 3i01 h THR 593 N 0.17 1.34 0.00 4.70 2.02 -0.59 -2.76 112.91 117.79 3i01 h THR 593 Ca 0.03 -1.80 -0.12 0.00 0.77 0.00 0.00 66.41 65.29 3i01 h THR 593 Cb 0.45 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 3i01 h THR 593 CO 0.03 0.55 -0.59 4.11 0.37 0.00 0.00 175.52 179.99 3i01 h TRP 594 N 0.23 0.00 -0.10 3.16 -0.00 -0.58 -1.93 115.95 116.73 3i01 h TRP 594 Ca -0.03 0.00 0.04 0.00 -0.00 0.00 0.00 58.89 58.91 3i01 h TRP 594 Cb 1.15 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 30.25 3i01 h TRP 594 CO 0.10 0.59 -0.27 -1.49 -0.00 0.00 0.00 178.44 177.38 3i01 h TRP 595 N 0.00 -0.72 -0.65 0.12 4.06 -1.01 -1.09 115.95 116.66 3i01 h TRP 595 Ca -0.01 0.03 0.08 0.00 2.06 0.00 0.00 58.89 61.06 3i01 h TRP 595 Cb 1.09 0.33 -0.07 0.00 -1.00 0.00 0.00 29.16 29.51 3i01 h TRP 595 CO 0.00 -0.35 0.30 0.28 -3.56 0.00 0.00 178.44 175.11 3i01 h VAL 596 N -0.35 0.85 -0.31 1.49 2.07 -1.27 -1.92 116.25 116.80 3i01 h VAL 596 Ca 0.09 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3i01 h VAL 596 Cb 0.49 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3i01 h VAL 596 CO -0.30 0.10 -0.03 0.28 0.02 0.00 0.00 177.57 177.64 3i01 h SER 597 N 0.54 0.46 -0.04 0.57 0.02 -1.01 -1.51 113.55 112.58 3i01 h SER 597 Ca 0.32 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3i01 h SER 597 Cb 0.32 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3i01 h SER 597 CO -0.26 0.55 0.00 0.18 -1.14 0.00 0.00 176.83 176.16 3i01 n LEU 598 N -4.27 0.61 0.00 5.07 4.77 -0.44 -4.93 117.00 117.81 3i01 n LEU 598 Ca 0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3i01 n LEU 598 Cb 0.25 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3i01 n LEU 598 CO 0.39 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3i01 n GLY 599 N 0.99 1.39 3.31 -0.72 0.00 -0.57 -4.69 105.19 104.90 3i01 n GLY 599 Ca 0.18 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3i01 n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 600 N -2.00 2.12 0.24 1.61 1.01 -1.13 -3.56 120.40 118.69 3i01 s VAL 600 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 3i01 s VAL 600 Cb 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 3i01 s VAL 600 CO 0.00 0.58 1.41 -2.84 0.00 0.00 0.00 175.10 174.25 3i01 s PRO 601 N -0.50 4.29 -0.28 2.72 0.02 -1.26 -2.75 135.00 137.25 3i01 s PRO 601 Ca 0.06 2.25 0.02 0.00 0.02 0.00 0.00 61.00 63.36 3i01 s PRO 601 Cb -0.11 -3.12 0.08 0.00 0.02 0.00 0.00 34.50 31.36 3i01 s PRO 601 CO 0.00 -0.38 -0.01 0.99 -0.33 0.00 0.00 177.00 177.27 3i01 s THR 602 N -0.03 1.73 -0.04 0.99 2.01 0.50 -1.83 115.64 118.97 3i01 s THR 602 Ca 0.58 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 3i01 s THR 602 Cb -0.41 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 3i01 s THR 602 CO 0.43 -0.30 0.96 -2.28 -0.69 0.00 0.00 174.62 172.74 3i01 s HIS 603 N 1.25 3.61 -0.15 4.92 5.04 0.28 -0.30 115.29 129.93 3i01 s HIS 603 Ca 0.00 1.63 0.02 0.00 -1.54 0.00 0.00 55.06 55.17 3i01 s HIS 603 Cb -0.19 -3.11 0.01 0.00 0.04 0.00 0.00 32.58 29.33 3i01 s HIS 603 CO -0.09 -0.07 -0.21 0.08 -2.34 0.00 0.00 174.74 172.11 3i01 s VAL 604 N 1.31 2.02 -2.02 0.89 1.01 -0.31 0.09 120.40 123.39 3i01 s VAL 604 Ca 0.50 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.62 3i01 s VAL 604 Cb -0.20 -1.80 0.23 0.00 0.00 0.00 0.00 36.38 34.60 3i01 s VAL 604 CO 0.24 0.54 1.21 0.61 0.00 0.00 0.00 175.10 177.70 3i01 n GLY 605 N 4.30 0.04 3.01 4.51 0.00 -0.52 -2.44 105.19 114.09 3i01 n GLY 605 Ca -0.20 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3i01 n GLY 605 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i01 s THR 606 N -1.71 0.20 -0.21 2.61 -4.23 -1.26 -4.23 115.64 106.82 3i01 s THR 606 Ca 0.17 -1.11 -0.16 0.00 -1.18 0.00 0.00 61.69 59.41 3i01 s THR 606 Cb 0.09 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 3i01 s THR 606 CO 0.12 -0.58 0.41 -0.32 -0.54 0.00 0.00 174.62 173.70 3i01 s MET 607 N -1.95 4.16 0.92 3.99 1.75 -1.26 -4.91 119.30 122.00 3i01 s MET 607 Ca -0.11 0.20 -0.12 0.00 -1.25 0.00 0.00 55.69 54.42 3i01 s MET 607 Cb -0.07 -3.55 0.14 0.00 2.84 0.00 0.00 34.83 34.20 3i01 s MET 607 CO -0.02 -0.07 1.09 -1.25 -0.65 0.00 0.00 175.02 174.12 3i01 s PRO 608 N 1.40 1.08 -0.91 4.11 0.04 -1.26 -4.89 135.00 134.56 3i01 s PRO 608 Ca 0.19 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.76 3i01 s PRO 608 Cb -0.15 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 3i01 s PRO 608 CO 0.08 -2.34 1.97 -0.35 0.04 0.00 0.00 177.00 176.40 3i01 n PRO 609 N -3.94 1.75 0.00 0.56 -0.04 -1.26 -4.42 135.00 127.65 3i01 n PRO 609 Ca 0.07 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 3i01 n PRO 609 Cb 0.56 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 3i01 n PRO 609 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i01 n VAL 610 N 6.01 0.00 0.28 0.52 0.24 -1.24 -3.69 118.33 120.45 3i01 n VAL 610 Ca 0.50 -0.16 0.12 0.00 -2.04 0.00 0.00 64.34 62.76 3i01 n VAL 610 Cb 0.41 0.71 0.77 0.00 -1.47 0.00 0.00 33.84 34.25 3i01 n VAL 610 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3i01 h GLU 611 N 0.00 0.00 -0.06 7.34 5.08 -1.77 -2.55 114.58 122.62 3i01 h GLU 611 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3i01 h GLU 611 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i01 h GLU 611 CO 0.00 0.03 0.36 0.78 -1.00 0.00 0.00 179.01 179.18 3i01 h GLY 612 N 0.13 0.00 -7.71 -3.84 0.00 -1.45 -3.38 103.07 86.82 3i01 h GLY 612 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.69 3i01 h GLY 612 CO 0.00 0.00 -0.78 -0.45 0.00 0.00 0.00 176.54 175.31 3i01 s SER 613 N -4.52 4.15 0.45 0.19 0.15 -0.96 -4.89 113.70 108.27 3i01 s SER 613 Ca -0.03 -1.35 0.13 0.00 0.70 0.00 0.00 55.95 55.40 3i01 s SER 613 Cb 0.09 -1.34 1.05 0.00 -1.71 0.00 0.00 66.02 64.11 3i01 s SER 613 CO 0.31 -0.24 2.04 0.44 1.20 0.00 0.00 173.24 176.99 3i01 h ASP 614 N 7.86 0.30 0.31 5.45 3.32 -1.83 -0.69 116.42 131.15 3i01 h ASP 614 Ca -0.17 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3i01 h ASP 614 Cb 1.05 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3i01 h ASP 614 CO 0.44 0.20 -0.15 0.25 -1.72 0.00 0.00 179.24 178.26 3i01 h LEU 615 N 0.35 -0.35 -0.94 1.55 6.46 -1.93 -1.01 115.31 119.43 3i01 h LEU 615 Ca 0.18 -0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3i01 h LEU 615 Cb 0.27 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 3i01 h LEU 615 CO -0.04 0.01 0.62 0.40 -0.62 0.00 0.00 178.44 178.81 3i01 h ILE 616 N -0.76 1.23 -0.33 4.05 1.08 -1.84 -1.84 117.51 119.10 3i01 h ILE 616 Ca -0.04 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3i01 h ILE 616 Cb 0.50 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 3i01 h ILE 616 CO 0.07 0.23 0.21 0.22 -0.69 0.00 0.00 178.15 178.19 3i01 h TYR 617 N 1.26 0.43 -0.32 1.37 5.03 -1.10 -1.28 116.97 122.36 3i01 h TYR 617 Ca 0.35 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.58 3i01 h TYR 617 Cb -0.12 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 3i01 h TYR 617 CO -0.01 0.29 -0.15 1.03 -1.32 0.00 0.00 178.16 178.01 3i01 h SER 618 N 0.44 0.56 -0.45 -2.11 0.87 -0.97 -0.81 113.55 111.09 3i01 h SER 618 Ca 0.12 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3i01 h SER 618 Cb -0.02 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3i01 h SER 618 CO -0.02 0.73 0.24 0.40 -0.53 0.00 0.00 176.83 177.65 3i01 h ILE 619 N 0.52 1.00 -0.14 2.23 2.04 -0.90 0.14 117.51 122.39 3i01 h ILE 619 Ca 0.09 -0.16 -0.17 0.00 1.00 0.00 0.00 64.86 65.61 3i01 h ILE 619 Cb 0.56 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3i01 h ILE 619 CO 0.04 0.09 -0.64 -0.07 0.00 0.00 0.00 178.15 177.57 3i01 h LEU 620 N 0.48 0.59 0.00 1.44 3.38 -1.00 -0.87 115.31 119.33 3i01 h LEU 620 Ca 0.19 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3i01 h LEU 620 Cb 0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3i01 h LEU 620 CO -0.11 1.07 -2.06 0.35 0.09 0.00 0.00 178.44 177.78 3i01 n THR 621 N -3.91 0.58 0.06 0.22 -2.24 -0.33 -1.20 114.28 107.46 3i01 n THR 621 Ca -0.04 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3i01 n THR 621 Cb 0.65 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3i01 n THR 621 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 n GLN 622 N -2.49 0.00 0.12 -0.78 6.02 0.31 -4.54 117.38 116.03 3i01 n GLN 622 Ca -0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.83 3i01 n GLN 622 Cb 0.79 -0.41 0.21 0.00 1.02 0.00 0.00 30.24 31.86 3i01 n GLN 622 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3i01 h ILE 623 N 0.00 1.36 -0.98 5.09 1.08 -1.09 -2.71 117.51 120.25 3i01 h ILE 623 Ca 0.00 -1.75 0.13 0.00 -0.39 0.00 0.00 64.86 62.86 3i01 h ILE 623 Cb 0.08 1.89 -0.08 0.00 -3.07 0.00 0.00 36.82 35.64 3i01 h ILE 623 CO 0.00 0.51 0.62 0.00 -0.69 0.00 0.00 178.15 178.59 3i01 h ALA 624 N 1.39 1.61 0.00 1.87 0.00 -1.38 -0.53 119.26 122.21 3i01 h ALA 624 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i01 h ALA 624 Cb 0.93 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i01 h ALA 624 CO 0.07 0.13 -0.09 0.66 0.00 0.00 0.00 179.25 180.02 3i01 h SER 625 N 0.90 0.00 0.33 0.00 4.64 -1.09 0.39 113.55 118.73 3i01 h SER 625 Ca 0.50 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.49 3i01 h SER 625 Cb 0.59 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 3i01 h SER 625 CO -0.27 0.09 -1.81 0.44 -0.87 0.00 0.00 176.83 174.41 3i01 h ASP 626 N 0.00 0.23 0.00 4.97 3.32 -1.42 -3.03 116.42 120.49 3i01 h ASP 626 Ca -0.00 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 3i01 h ASP 626 Cb 0.25 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3i01 h ASP 626 CO 0.01 1.43 -0.11 0.58 -1.72 0.00 0.00 179.24 179.43 3i01 h VAL 627 N 0.04 0.39 0.01 -1.35 2.07 -0.73 -3.41 116.25 113.27 3i01 h VAL 627 Ca -0.34 -1.31 -0.35 0.00 0.82 0.00 0.00 66.70 65.52 3i01 h VAL 627 Cb 2.02 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 3i01 h VAL 627 CO 0.10 0.13 -2.17 -1.22 0.02 0.00 0.00 177.57 174.43 3i01 n TYR 628 N -4.71 0.39 0.00 1.57 4.02 0.11 -5.00 117.16 113.53 3i01 n TYR 628 Ca -0.04 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 3i01 n TYR 628 Cb 0.16 -1.07 0.00 0.00 -0.02 0.00 0.00 39.34 38.41 3i01 n TYR 628 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i01 n GLY 629 N 1.78 2.42 3.98 2.72 0.00 0.59 -4.40 105.19 112.28 3i01 n GLY 629 Ca -0.30 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 3i01 n GLY 629 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i01 s GLY 630 N -2.44 1.81 -0.12 -0.02 0.00 -1.20 -4.53 107.32 100.83 3i01 s GLY 630 Ca 0.00 -1.39 -0.32 0.00 0.00 0.00 0.00 44.72 43.01 3i01 s GLY 630 CO 0.00 -1.15 1.08 -2.52 0.00 0.00 0.00 173.10 170.51 3i01 s TYR 631 N -2.60 -0.22 -0.03 1.90 -0.85 -1.11 -2.18 117.35 112.25 3i01 s TYR 631 Ca 0.55 0.14 -0.23 0.00 -0.52 0.00 0.00 57.07 57.01 3i01 s TYR 631 Cb -0.10 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 3i01 s TYR 631 CO 0.37 -0.34 0.69 -0.06 -1.52 0.00 0.00 175.55 174.69 3i01 s PHE 632 N -2.65 3.63 -0.55 -3.49 0.40 -0.34 -0.37 117.98 114.60 3i01 s PHE 632 Ca 0.07 1.28 -0.13 0.00 -0.60 0.00 0.00 56.93 57.55 3i01 s PHE 632 Cb -0.01 -2.77 0.14 0.00 0.51 0.00 0.00 43.02 40.89 3i01 s PHE 632 CO -0.06 0.17 0.48 0.42 0.70 0.00 0.00 175.22 176.93 3i01 s ILE 633 N 0.45 4.87 -0.40 0.64 1.01 0.59 -4.52 121.20 123.83 3i01 s ILE 633 Ca 0.36 -1.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.02 3i01 s ILE 633 Cb -0.18 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.17 3i01 s ILE 633 CO 0.19 -0.86 0.79 -0.36 0.00 0.00 0.00 174.94 174.70 3i01 s PHE 634 N 1.30 3.05 -0.19 3.97 2.99 -1.26 -1.16 117.98 126.68 3i01 s PHE 634 Ca 0.06 0.40 -0.05 0.00 0.00 0.00 0.00 56.93 57.34 3i01 s PHE 634 Cb -0.26 -3.54 0.09 0.00 0.00 0.00 0.00 43.02 39.31 3i01 s PHE 634 CO 0.00 -0.85 0.34 -2.00 -0.00 0.00 0.00 175.22 172.71 3i01 s GLU 635 N 3.22 0.26 0.16 0.44 2.56 -1.02 -3.65 118.70 120.66 3i01 s GLU 635 Ca 0.31 0.75 0.12 0.00 0.00 0.00 0.00 54.97 56.15 3i01 s GLU 635 Cb -0.13 -0.12 -0.10 0.00 2.00 0.00 0.00 34.13 35.79 3i01 s GLU 635 CO 0.20 -0.39 1.22 0.52 -0.56 0.00 0.00 175.26 176.24 3i01 h MET 636 N 8.22 0.00 -6.54 4.30 2.86 -1.81 -3.36 114.93 118.60 3i01 h MET 636 Ca -0.16 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.91 3i01 h MET 636 Cb 1.13 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.73 3i01 h MET 636 CO 0.18 0.65 1.01 0.34 1.06 0.00 0.00 176.91 180.15 3i01 s ASP 637 N -6.42 6.49 0.51 1.22 3.68 -1.26 -4.91 116.67 115.97 3i01 s ASP 637 Ca 0.01 0.81 0.29 0.00 2.13 0.00 0.00 52.55 55.79 3i01 s ASP 637 Cb 0.09 -2.54 1.26 0.00 -1.45 0.00 0.00 42.92 40.27 3i01 s ASP 637 CO 0.79 -1.31 1.96 1.55 0.13 0.00 0.00 175.17 178.29 3i01 h PRO 638 N 10.01 0.00 -0.13 4.34 0.13 -1.92 0.90 132.00 145.33 3i01 h PRO 638 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 3i01 h PRO 638 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3i01 h PRO 638 CO 1.09 0.12 -0.33 0.37 -0.23 0.00 0.00 178.00 179.02 3i01 h GLN 639 N 0.00 0.45 -0.88 0.86 5.75 -1.91 -1.78 115.11 117.61 3i01 h GLN 639 Ca -0.00 -0.31 0.03 0.00 -0.15 0.00 0.00 58.65 58.22 3i01 h GLN 639 Cb 0.55 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 3i01 h GLN 639 CO 0.02 0.93 0.57 0.28 -2.65 0.00 0.00 178.83 177.97 3i01 h VAL 640 N 0.05 1.14 -0.61 2.39 2.07 -1.92 -2.95 116.25 116.42 3i01 h VAL 640 Ca -0.00 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3i01 h VAL 640 Cb 0.94 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3i01 h VAL 640 CO 0.07 0.20 0.40 0.00 0.02 0.00 0.00 177.57 178.26 3i01 h ALA 641 N 1.36 0.78 -0.24 1.67 0.00 -0.75 -1.75 119.26 120.34 3i01 h ALA 641 Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3i01 h ALA 641 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3i01 h ALA 641 CO -0.12 0.18 -0.25 0.00 0.00 0.00 0.00 179.25 179.06 3i01 h ALA 642 N 1.24 1.13 -0.30 0.00 0.00 -1.21 0.42 119.26 120.54 3i01 h ALA 642 Ca 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i01 h ALA 642 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i01 h ALA 642 CO -0.06 0.55 0.16 -0.09 0.00 0.00 0.00 179.25 179.80 3i01 h ARG 643 N 0.40 0.43 -0.34 0.00 2.43 -1.28 -1.28 114.38 114.73 3i01 h ARG 643 Ca 0.06 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3i01 h ARG 643 Cb 0.65 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3i01 h ARG 643 CO 0.05 0.39 -0.14 0.87 -1.51 0.00 0.00 179.97 179.63 3i01 h LYS 644 N 0.37 0.60 -0.32 0.20 1.57 -0.91 -0.55 116.57 117.53 3i01 h LYS 644 Ca 0.11 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3i01 h LYS 644 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3i01 h LYS 644 CO -0.02 0.72 0.06 0.82 -0.57 0.00 0.00 179.45 180.47 3i01 h ILE 645 N 0.55 1.23 -0.31 1.86 2.04 -0.82 -1.03 117.51 121.03 3i01 h ILE 645 Ca 0.10 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 3i01 h ILE 645 Cb 0.56 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3i01 h ILE 645 CO 0.04 0.26 -0.06 -0.07 0.00 0.00 0.00 178.15 178.31 3i01 h LEU 646 N 0.35 0.47 -0.48 1.44 3.38 -1.03 -1.91 115.31 117.53 3i01 h LEU 646 Ca 0.10 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3i01 h LEU 646 Cb 0.33 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3i01 h LEU 646 CO 0.00 0.58 0.16 -0.78 0.09 0.00 0.00 178.44 178.50 3i01 h ASP 647 N 0.47 0.16 -0.02 -0.43 1.82 -0.95 0.11 116.42 117.57 3i01 h ASP 647 Ca 0.09 0.06 -0.19 0.00 -0.39 0.00 0.00 57.03 56.60 3i01 h ASP 647 Cb 0.40 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.46 3i01 h ASP 647 CO 0.02 0.12 -0.66 0.00 -1.61 0.00 0.00 179.24 177.11 3i01 h ALA 648 N 1.32 0.52 0.05 -0.78 0.00 -0.68 -0.26 119.26 119.43 3i01 h ALA 648 Ca 0.23 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3i01 h ALA 648 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i01 h ALA 648 CO -0.24 0.71 -0.02 -0.07 0.00 0.00 0.00 179.25 179.62 3i01 h LEU 649 N 0.47 -0.05 -1.00 0.00 3.38 -1.08 -2.79 115.31 114.24 3i01 h LEU 649 Ca -0.02 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 57.88 3i01 h LEU 649 Cb 1.25 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 3i01 h LEU 649 CO 0.13 0.18 0.62 -0.08 0.09 0.00 0.00 178.44 179.38 3i01 h GLU 650 N -0.29 0.91 -0.64 1.13 4.22 -0.74 -0.17 114.58 119.01 3i01 h GLU 650 Ca -0.01 -0.05 0.08 0.00 0.08 0.00 0.00 59.36 59.46 3i01 h GLU 650 Cb 0.26 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3i01 h GLU 650 CO 0.01 0.60 0.30 -0.92 -2.18 0.00 0.00 179.01 176.83 3i01 h TYR 651 N 0.94 0.54 -0.01 0.92 3.20 -0.84 0.94 116.97 122.65 3i01 h TYR 651 Ca 0.51 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.34 3i01 h TYR 651 Cb 0.58 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.70 3i01 h TYR 651 CO -0.01 0.20 -0.28 0.00 -1.64 0.00 0.00 178.16 176.44 3i01 h ARG 652 N 0.54 0.21 -0.99 1.82 3.08 -0.82 -1.91 114.38 116.31 3i01 h ARG 652 Ca 0.31 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.18 3i01 h ARG 652 Cb 0.30 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3i01 h ARG 652 CO -0.25 0.91 0.65 1.79 -1.07 0.00 0.00 179.97 182.01 3i01 h THR 653 N -0.41 1.20 0.10 2.04 1.35 -1.19 -1.40 112.91 114.61 3i01 h THR 653 Ca -0.03 -0.44 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3i01 h THR 653 Cb 1.00 -0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 3i01 h THR 653 CO 0.05 0.23 -0.07 -0.25 -0.25 0.00 0.00 175.52 175.24 3i01 h TRP 654 N 1.28 -0.17 0.00 4.73 7.01 -0.73 -2.14 115.95 125.93 3i01 h TRP 654 Ca 0.38 -0.00 -0.16 0.00 2.11 0.00 0.00 58.89 61.22 3i01 h TRP 654 Cb -0.06 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3i01 h TRP 654 CO -0.00 -0.11 -0.78 -0.22 -2.79 0.00 0.00 178.44 174.54 3i01 h LYS 655 N -0.17 0.00 -0.33 2.65 3.64 -1.26 -1.85 116.57 119.24 3i01 h LYS 655 Ca -0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3i01 h LYS 655 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3i01 h LYS 655 CO 0.00 0.78 -0.06 1.25 -2.27 0.00 0.00 179.45 179.15 3i01 h LEU 656 N 0.00 0.63 -0.93 5.20 6.46 -1.27 0.58 115.31 125.99 3i01 h LEU 656 Ca -0.01 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.37 3i01 h LEU 656 Cb 1.45 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 41.17 3i01 h LEU 656 CO 0.10 0.83 0.34 1.23 -0.62 0.00 0.00 178.44 180.33 3i01 h GLY 657 N 0.42 1.20 0.86 3.75 0.00 -1.29 -1.28 103.07 106.73 3i01 h GLY 657 Ca 0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3i01 h GLY 657 CO 0.03 0.58 -0.16 -2.08 0.00 0.00 0.00 176.54 174.91 3i01 h VAL 658 N 1.10 0.70 -0.65 4.60 2.07 -1.28 -2.20 116.25 120.59 3i01 h VAL 658 Ca 0.26 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3i01 h VAL 658 Cb 0.15 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 3i01 h VAL 658 CO -0.03 0.06 0.31 0.45 0.02 0.00 0.00 177.57 178.37 3i01 h HIS 659 N -0.58 0.55 -0.69 1.57 3.86 -0.77 -1.20 115.15 117.88 3i01 h HIS 659 Ca -0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3i01 h HIS 659 Cb 0.43 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3i01 h HIS 659 CO -0.02 0.20 0.38 0.87 0.86 0.00 0.00 177.93 180.22 3i01 h LYS 660 N 0.54 0.96 -0.27 2.45 1.57 -1.23 -0.60 116.57 119.99 3i01 h LYS 660 Ca 0.32 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3i01 h LYS 660 Cb 0.33 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3i01 h LYS 660 CO -0.26 0.71 0.13 0.93 -0.57 0.00 0.00 179.45 180.39 3i01 h GLU 661 N 0.94 0.38 -0.53 3.15 5.08 -1.04 -1.97 114.58 120.59 3i01 h GLU 661 Ca 0.24 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3i01 h GLU 661 Cb 0.03 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 3i01 h GLU 661 CO -0.04 0.36 0.27 0.28 -1.00 0.00 0.00 179.01 178.89 3i01 h VAL 662 N 0.30 0.96 -0.47 3.13 2.07 -1.15 0.12 116.25 121.22 3i01 h VAL 662 Ca 0.09 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3i01 h VAL 662 Cb 0.10 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3i01 h VAL 662 CO -0.01 0.10 0.30 0.00 0.02 0.00 0.00 177.57 177.97 3i01 h ALA 663 N 1.28 0.60 0.79 1.67 0.00 -1.01 0.33 119.26 122.92 3i01 h ALA 663 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3i01 h ALA 663 Cb 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i01 h ALA 663 CO -0.16 0.01 -0.38 1.49 0.00 0.00 0.00 179.25 180.21 3i01 h GLU 664 N 0.60 -1.02 -0.45 0.00 4.81 -1.25 0.44 114.58 117.71 3i01 h GLU 664 Ca 0.18 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 3i01 h GLU 664 Cb -0.03 0.23 -0.09 0.00 0.63 0.00 0.00 28.75 29.49 3i01 h GLU 664 CO -0.06 -0.66 -0.21 -0.09 -0.73 0.00 0.00 179.01 177.25 3i01 h ARG 665 N -1.16 -0.11 -0.01 1.92 2.43 -0.60 -2.24 114.38 114.60 3i01 h ARG 665 Ca -0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3i01 h ARG 665 Cb 0.82 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3i01 h ARG 665 CO 0.18 -0.08 -0.26 0.66 -1.51 0.00 0.00 179.97 178.96 3i01 n TYR 666 N -5.39 0.00 -3.18 2.20 4.02 0.12 -4.97 117.16 109.95 3i01 n TYR 666 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.84 3i01 n TYR 666 Cb 0.30 -0.15 0.03 0.00 -0.02 0.00 0.00 39.34 39.50 3i01 n TYR 666 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3i01 n GLU 667 N -0.82 -1.69 -4.22 -0.72 1.02 0.26 -5.03 120.64 109.44 3i01 n GLU 667 Ca 0.12 1.19 -0.13 0.00 -0.02 0.00 0.00 57.16 58.32 3i01 n GLU 667 Cb 0.34 -5.63 -0.10 0.00 -0.02 0.00 0.00 31.44 26.03 3i01 n GLU 667 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i01 s THR 668 N -3.17 0.29 0.78 2.62 -4.23 0.13 -5.01 115.64 107.04 3i01 s THR 668 Ca 0.20 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 3i01 s THR 668 Cb -0.03 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.54 3i01 s THR 668 CO 0.75 -0.23 1.15 2.29 -0.54 0.00 0.00 174.62 178.04 3i01 n LYS 669 N -0.26 0.34 -1.88 3.99 2.85 -1.26 -4.60 118.16 117.33 3i01 n LYS 669 Ca -0.02 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 57.00 3i01 n LYS 669 Cb 0.65 -2.39 -0.03 0.00 -0.65 0.00 0.00 35.03 32.60 3i01 n LYS 669 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3i01 s LEU 670 N -4.90 4.37 0.26 -5.58 2.96 -1.26 -4.79 118.68 109.74 3i01 s LEU 670 Ca 0.74 2.68 -0.31 0.00 -0.22 0.00 0.00 54.13 57.03 3i01 s LEU 670 Cb -0.31 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.66 3i01 s LEU 670 CO 0.50 -0.86 1.52 0.00 -1.32 0.00 0.00 176.35 176.19 3i01 n GLN 672 N 2.21 2.30 -1.58 0.00 1.13 -1.26 -4.97 117.38 115.21 3i01 n GLN 672 Ca 0.10 -2.09 -0.40 0.00 -1.94 0.00 0.00 57.00 52.67 3i01 n GLN 672 Cb 0.34 -1.46 0.03 0.00 0.11 0.00 0.00 30.24 29.26 3i01 n GLN 672 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i01 n GLY 673 N 1.33 -0.53 0.00 1.08 0.00 -1.26 -4.94 105.19 100.88 3i01 n GLY 673 Ca 0.16 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3i01 n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60