#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 3.24 0.31 0.54 0.52 -1.26 -4.96 118.95 117.35 3i01 s ARG 3 Ca 0.00 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.55 3i01 s ARG 3 Cb 0.00 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 3i01 s ARG 3 CO 0.00 0.24 0.33 -0.06 0.02 0.00 0.00 175.30 175.83 3i01 s PHE 4 N 0.26 3.05 0.13 -0.53 0.40 -1.26 -5.01 117.98 115.02 3i01 s PHE 4 Ca -0.11 -0.22 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 3i01 s PHE 4 Cb -0.16 -1.77 -0.09 0.00 0.51 0.00 0.00 43.02 41.52 3i01 s PHE 4 CO 0.06 0.21 1.31 -0.09 0.70 0.00 0.00 175.22 177.41 3i01 h ARG 5 N 1.18 0.46 -6.29 0.44 2.43 -1.93 -3.38 114.38 107.29 3i01 h ARG 5 Ca -0.46 -0.47 -0.53 0.00 -0.81 0.00 0.00 59.98 57.70 3i01 h ARG 5 Cb 1.25 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.87 3i01 h ARG 5 CO 0.57 1.12 1.16 0.34 -1.51 0.00 0.00 179.97 181.65 3i01 s ASP 6 N -7.09 5.93 0.46 -3.80 -1.08 -1.26 -4.91 116.67 104.92 3i01 s ASP 6 Ca -0.06 0.13 0.14 0.00 -0.52 0.00 0.00 52.55 52.24 3i01 s ASP 6 Cb 0.09 -2.55 1.10 0.00 -1.46 0.00 0.00 42.92 40.10 3i01 s ASP 6 CO 0.87 -1.90 2.04 -0.07 0.52 0.00 0.00 175.17 176.63 3i01 h LEU 7 N 13.89 0.26 0.00 -1.34 3.38 -2.02 0.46 115.31 129.93 3i01 h LEU 7 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i01 h LEU 7 Cb 1.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i01 h LEU 7 CO 1.21 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 178.37 3i01 n SER 8 N -4.47 0.00 -4.48 -0.43 3.41 -1.26 -4.55 113.62 101.84 3i01 n SER 8 Ca 0.05 -0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 57.71 3i01 n SER 8 Cb 0.27 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.00 3.22 0.24 7.33 5.65 0.16 -5.02 115.29 124.87 3i01 s HIS 9 Ca 0.26 -0.46 0.02 0.00 0.25 0.00 0.00 55.06 55.13 3i01 s HIS 9 Cb 0.12 -2.47 -0.01 0.00 -1.18 0.00 0.00 32.58 29.04 3i01 s HIS 9 CO 0.20 -0.47 0.07 0.27 -0.65 0.00 0.00 174.74 174.17 3i01 n ASN 10 N 5.08 1.31 0.00 9.88 0.23 -1.26 -4.52 115.26 125.97 3i01 n ASN 10 Ca -0.12 -2.25 0.14 0.00 -0.53 0.00 0.00 54.58 51.81 3i01 n ASN 10 Cb 0.49 0.55 0.68 0.00 -2.08 0.00 0.00 39.78 39.41 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 -2.62 3.55 0.76 0.00 1.81 -1.26 -4.73 118.95 116.45 3i01 s ARG 12 Ca 0.25 -0.26 -0.12 0.00 -1.72 0.00 0.00 55.73 53.87 3i01 s ARG 12 Cb 0.18 -2.83 0.05 0.00 -0.45 0.00 0.00 34.95 31.91 3i01 s ARG 12 CO 0.43 0.40 1.12 -1.25 -0.68 0.00 0.00 175.30 175.32 3i01 s PRO 13 N -3.19 2.20 1.15 3.54 0.04 -1.24 -4.96 135.00 132.53 3i01 s PRO 13 Ca 0.39 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 3i01 s PRO 13 Cb -0.11 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.75 3i01 s PRO 13 CO 0.28 -1.71 0.55 -1.13 0.04 0.00 0.00 177.00 175.03 3i01 n SER 14 N -3.23 -2.02 0.00 6.66 3.41 -1.26 -4.91 113.62 112.27 3i01 n SER 14 Ca 0.10 -0.13 0.05 0.00 -0.26 0.00 0.00 58.87 58.63 3i01 n SER 14 Cb 0.52 -1.13 0.27 0.00 -0.26 0.00 0.00 64.21 63.62 3i01 n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i01 n GLU 15 N -3.59 0.82 -1.56 4.33 -0.58 -1.26 -4.90 120.64 113.90 3i01 n GLU 15 Ca 0.02 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.35 3i01 n GLU 15 Cb 0.58 -1.18 0.01 0.00 -0.57 0.00 0.00 31.44 30.28 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 -0.68 -0.35 -1.63 0.62 0.00 -1.26 -4.92 120.51 112.31 3i01 n ALA 16 Ca 0.07 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.35 3i01 n ALA 16 Cb 0.03 -1.99 0.04 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.94 2.85 0.23 0.00 0.04 -1.26 -4.95 135.00 129.98 3i01 s PRO 17 Ca 0.64 1.67 0.17 0.00 0.04 0.00 0.00 61.00 63.52 3i01 s PRO 17 Cb -0.56 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.08 3i01 s PRO 17 CO 0.56 -1.26 1.27 0.00 0.04 0.00 0.00 177.00 177.61 3i01 h ARG 18 N 0.53 0.00 -4.83 4.56 2.47 -1.93 -3.43 114.38 111.75 3i01 h ARG 18 Ca -0.49 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.58 3i01 h ARG 18 Cb 1.28 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.24 3i01 h ARG 18 CO 0.54 0.37 -0.83 0.08 0.56 0.00 0.00 179.97 180.69 3i01 s VAL 19 N -3.00 1.90 -0.01 2.04 1.01 -1.26 -4.50 120.40 116.59 3i01 s VAL 19 Ca 0.02 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 3i01 s VAL 19 Cb 0.08 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 3i01 s VAL 19 CO 0.76 0.29 1.69 -0.32 0.00 0.00 0.00 175.10 177.53 3i01 s MET 20 N 1.30 4.18 -0.57 2.72 1.75 0.85 -4.39 119.30 125.14 3i01 s MET 20 Ca 0.00 2.28 -0.17 0.00 -1.25 0.00 0.00 55.69 56.55 3i01 s MET 20 Cb -0.15 -3.90 0.03 0.00 2.84 0.00 0.00 34.83 33.64 3i01 s MET 20 CO -0.10 -0.83 0.56 0.39 -0.65 0.00 0.00 175.02 174.40 3i01 n GLU 21 N 6.75 -1.53 0.23 4.11 1.02 -1.26 -4.79 120.64 125.16 3i01 n GLU 21 Ca 0.17 0.94 0.16 0.00 -0.02 0.00 0.00 57.16 58.41 3i01 n GLU 21 Cb 0.42 -1.86 0.72 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.82 0.00 -0.00 3.49 0.13 -1.96 -2.12 132.00 132.36 3i01 h PRO 22 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3i01 h PRO 22 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3i01 h PRO 22 CO 0.27 0.00 -0.01 1.63 -0.23 0.00 0.00 178.00 179.66 3i01 n LYS 23 N -2.69 0.55 -3.54 0.86 5.02 -1.26 -4.72 118.16 112.38 3i01 n LYS 23 Ca -0.00 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 3i01 n LYS 23 Cb 0.19 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.46 5.85 0.43 4.39 3.84 -0.80 -4.95 114.94 121.24 3i01 s ASN 24 Ca 0.32 -1.11 0.29 0.00 0.21 0.00 0.00 52.86 52.57 3i01 s ASN 24 Cb 0.21 -2.07 1.11 0.00 -0.55 0.00 0.00 41.25 39.95 3i01 s ASN 24 CO 0.45 -0.46 1.85 0.08 -2.79 0.00 0.00 177.10 176.23 3i01 h ARG 25 N 8.51 0.00 -2.23 0.43 0.11 -1.88 -3.35 114.38 115.98 3i01 h ARG 25 Ca -0.26 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.47 3i01 h ARG 25 Cb 1.10 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.12 3i01 h ARG 25 CO 0.72 0.00 0.71 -0.25 0.10 0.00 0.00 179.97 181.26 3i01 n ASP 26 N -2.78 6.26 -3.73 0.08 8.00 -1.26 -4.79 116.55 118.33 3i01 n ASP 26 Ca 0.02 -2.63 -0.42 0.00 0.71 0.00 0.00 54.79 52.47 3i01 n ASP 26 Cb 0.32 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 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 2.46 3.78 -3.57 -1.24 1.74 -1.26 -4.82 116.66 113.75 3i01 n ARG 27 Ca 0.52 -3.36 -0.09 0.00 -0.77 0.00 0.00 57.85 54.15 3i01 n ARG 27 Cb 0.70 -2.88 -0.04 0.00 -1.02 0.00 0.00 32.46 29.21 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 0.37 0.00 -0.60 0.55 -1.32 -1.26 -1.37 115.64 112.01 3i01 s THR 28 Ca 0.45 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.99 3i01 s THR 28 Cb 0.13 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.22 3i01 s THR 28 CO -0.03 0.00 0.91 1.33 -2.21 0.00 0.00 174.62 174.62 3i01 n VAL 29 N 0.48 0.50 -2.69 5.08 0.24 -0.99 -4.84 118.33 116.10 3i01 n VAL 29 Ca -0.08 -0.75 -0.43 0.00 -2.04 0.00 0.00 64.34 61.04 3i01 n VAL 29 Cb 0.59 0.81 -0.02 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 -0.74 7.13 0.23 -1.34 -1.08 -1.26 -4.94 116.67 114.67 3i01 s ASP 30 Ca 0.09 1.41 0.05 0.00 -0.52 0.00 0.00 52.55 53.58 3i01 s ASP 30 Cb 0.06 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.19 3i01 s ASP 30 CO 0.08 -0.57 1.53 -0.65 0.52 0.00 0.00 175.17 176.08 3i01 h PRO 31 N 7.33 0.21 -0.83 4.34 0.11 -1.98 -1.33 132.00 139.85 3i01 h PRO 31 Ca -0.24 -0.16 0.19 0.00 0.11 0.00 0.00 66.00 65.90 3i01 h PRO 31 Cb 1.10 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 3i01 h PRO 31 CO 0.92 0.79 0.32 0.00 -0.21 0.00 0.00 178.00 179.82 3i01 h ALA 32 N 1.17 1.24 0.11 -0.75 0.00 -1.93 0.32 119.26 119.42 3i01 h ALA 32 Ca -0.01 0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 3i01 h ALA 32 Cb 1.17 0.16 0.02 0.00 0.00 0.00 0.00 17.79 19.15 3i01 h ALA 32 CO 0.10 -0.31 -0.98 0.28 0.00 0.00 0.00 179.25 178.33 3i01 h VAL 33 N 0.38 1.38 -0.40 0.00 2.07 -1.77 -1.83 116.25 116.08 3i01 h VAL 33 Ca 0.50 -2.41 0.10 0.00 0.82 0.00 0.00 66.70 65.71 3i01 h VAL 33 Cb 0.88 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 3i01 h VAL 33 CO -0.51 0.71 0.28 -0.07 0.02 0.00 0.00 177.57 178.01 3i01 h LEU 34 N -0.02 0.08 -0.11 2.57 3.38 -0.81 -1.08 115.31 119.32 3i01 h LEU 34 Ca -0.15 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 3i01 h LEU 34 Cb 1.71 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.46 3i01 h LEU 34 CO 0.19 0.05 -0.73 -0.33 0.09 0.00 0.00 178.44 177.71 3i01 h GLU 35 N 0.09 0.69 0.00 1.13 5.08 -0.59 -3.04 114.58 117.93 3i01 h GLU 35 Ca 0.19 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 3i01 h GLU 35 Cb 0.63 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3i01 h GLU 35 CO -0.02 1.20 -0.08 0.52 -1.00 0.00 0.00 179.01 179.64 3i01 h MET 36 N 0.37 0.00 -0.01 2.33 2.86 -0.65 -2.90 114.93 116.93 3i01 h MET 36 Ca -0.06 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.33 3i01 h MET 36 Cb 1.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.04 3i01 h MET 36 CO 0.15 0.08 -1.00 -0.07 1.06 0.00 0.00 176.91 177.13 3i01 h LEU 37 N 0.00 0.80 -0.29 1.22 3.38 -1.15 0.31 115.31 119.58 3i01 h LEU 37 Ca -0.00 -0.63 0.07 0.00 0.09 0.00 0.00 57.88 57.41 3i01 h LEU 37 Cb 0.66 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 3i01 h LEU 37 CO 0.01 1.43 -0.20 0.58 0.09 0.00 0.00 178.44 180.35 3i01 h VAL 38 N 0.35 0.45 -0.02 1.22 2.07 -1.41 0.53 116.25 119.44 3i01 h VAL 38 Ca -0.11 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 3i01 h VAL 38 Cb 1.64 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3i01 h VAL 38 CO 0.19 0.00 -0.47 0.50 0.02 0.00 0.00 177.57 177.81 3i01 h LYS 39 N -0.18 0.04 -0.30 1.57 3.64 -1.33 -2.38 116.57 117.63 3i01 h LYS 39 Ca 0.15 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 3i01 h LYS 39 Cb 0.41 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3i01 h LYS 39 CO -0.40 0.51 -0.44 0.66 -2.27 0.00 0.00 179.45 177.52 3i01 h SER 40 N 0.03 0.81 -0.15 4.20 4.64 0.01 -1.93 113.55 121.16 3i01 h SER 40 Ca -0.00 -0.39 0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3i01 h SER 40 Cb 0.85 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3i01 h SER 40 CO 0.06 1.13 0.03 0.50 -0.87 0.00 0.00 176.83 177.68 3i01 h LYS 41 N 0.61 0.08 -0.35 4.77 3.64 -0.75 -2.41 116.57 122.16 3i01 h LYS 41 Ca 0.04 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3i01 h LYS 41 Cb 1.00 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 3i01 h LYS 41 CO 0.09 0.06 0.10 -0.44 -2.27 0.00 0.00 179.45 176.99 3i01 h ASP 42 N 0.09 0.08 0.00 4.20 5.19 -1.33 -2.59 116.42 122.05 3i01 h ASP 42 Ca 0.07 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 3i01 h ASP 42 Cb 0.06 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3i01 h ASP 42 CO -0.09 0.08 0.00 0.47 -3.12 0.00 0.00 179.24 176.58 3i01 n ASP 43 N -5.05 0.00 -3.75 6.45 8.00 -0.74 -4.89 116.55 116.58 3i01 n ASP 43 Ca 0.01 -1.26 -0.24 0.00 0.71 0.00 0.00 54.79 54.01 3i01 n ASP 43 Cb 0.14 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.55 -5.53 -4.87 -1.24 4.76 -0.98 -5.00 118.16 104.76 3i01 n LYS 44 Ca 0.01 0.65 -0.33 0.00 -2.87 0.00 0.00 58.31 55.77 3i01 n LYS 44 Cb 0.01 -5.40 -0.15 0.00 -1.84 0.00 0.00 35.03 27.64 3i01 n LYS 44 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i01 s VAL 45 N -3.49 2.71 -0.06 -0.18 1.01 -0.92 -5.07 120.40 114.40 3i01 s VAL 45 Ca 0.29 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 3i01 s VAL 45 Cb -0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3i01 s VAL 45 CO 0.81 0.53 0.47 -0.63 0.00 0.00 0.00 175.10 176.28 3i01 s ILE 46 N 0.42 5.09 0.28 2.22 1.01 -1.26 -4.60 121.20 124.35 3i01 s ILE 46 Ca -0.12 0.96 0.04 0.00 0.00 0.00 0.00 60.65 61.52 3i01 s ILE 46 Cb -0.16 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 3i01 s ILE 46 CO 0.06 0.43 0.01 0.42 0.00 0.00 0.00 174.94 175.85 3i01 s THR 47 N -0.07 1.22 0.58 2.92 -4.23 -1.26 -4.94 115.64 109.86 3i01 s THR 47 Ca 0.26 -2.04 0.28 0.00 -1.18 0.00 0.00 61.69 59.01 3i01 s THR 47 Cb -0.16 -2.54 0.38 0.00 1.34 0.00 0.00 72.50 71.52 3i01 s THR 47 CO 0.12 -0.19 1.96 0.00 -0.54 0.00 0.00 174.62 175.97 3i01 h ALA 48 N 2.30 2.18 0.00 3.99 0.00 -1.98 0.38 119.26 126.12 3i01 h ALA 48 Ca -0.40 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3i01 h ALA 48 Cb 1.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i01 h ALA 48 CO 0.67 -0.63 -0.41 0.74 0.00 0.00 0.00 179.25 179.62 3i01 h PHE 49 N 0.00 0.00 0.02 0.00 -1.00 -1.90 0.43 116.94 114.49 3i01 h PHE 49 Ca 0.20 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.65 3i01 h PHE 49 Cb 1.02 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.53 3i01 h PHE 49 CO 0.00 0.41 -1.99 -0.25 -1.61 0.00 0.00 178.31 174.87 3i01 n ASP 50 N -3.36 0.91 -0.16 2.17 8.00 0.12 -3.60 116.55 120.62 3i01 n ASP 50 Ca 0.01 0.23 -0.09 0.00 0.71 0.00 0.00 54.79 55.65 3i01 n ASP 50 Cb 0.60 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 3i01 n ASP 50 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3i01 h ARG 51 N 0.01 0.76 -0.62 -1.24 3.08 -0.88 -1.95 114.38 113.54 3i01 h ARG 51 Ca -0.40 -0.19 0.11 0.00 0.07 0.00 0.00 59.98 59.57 3i01 h ARG 51 Cb 2.07 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 31.94 3i01 h ARG 51 CO 0.05 0.75 0.18 0.35 -1.07 0.00 0.00 179.97 180.24 3i01 h PHE 52 N 0.64 0.30 -0.35 3.04 3.57 -0.29 -1.51 116.94 122.34 3i01 h PHE 52 Ca 0.15 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 3i01 h PHE 52 Cb 0.34 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3i01 h PHE 52 CO 0.02 0.02 -0.26 0.28 -2.23 0.00 0.00 178.31 176.14 3i01 h VAL 53 N 0.33 1.28 0.00 1.41 2.07 -1.57 -2.53 116.25 117.24 3i01 h VAL 53 Ca 0.32 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 3i01 h VAL 53 Cb 0.46 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3i01 h VAL 53 CO -0.37 0.46 -0.30 0.00 0.02 0.00 0.00 177.57 177.38 3i01 h ALA 54 N 1.08 1.23 0.00 1.67 0.00 -0.56 -2.22 119.26 120.46 3i01 h ALA 54 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i01 h ALA 54 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i01 h ALA 54 CO 0.06 0.37 0.00 1.96 0.00 0.00 0.00 179.25 181.64 3i01 h GLN 55 N 0.00 0.00 -6.93 0.00 1.08 -0.85 -3.47 115.11 104.94 3i01 h GLN 55 Ca -0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 3i01 h GLN 55 Cb 0.64 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.09 3i01 h GLN 55 CO 0.04 0.00 0.43 -0.65 -0.95 0.00 0.00 178.83 177.69 3i01 s GLN 56 N -3.35 4.25 0.39 1.46 -1.52 -0.84 -3.66 119.66 116.40 3i01 s GLN 56 Ca 0.05 1.58 -0.24 0.00 -1.95 0.00 0.00 55.36 54.80 3i01 s GLN 56 Cb 0.09 -2.68 -0.09 0.00 -0.22 0.00 0.00 33.01 30.12 3i01 s GLN 56 CO 0.51 -0.08 1.06 -1.25 -0.25 0.00 0.00 175.29 175.28 3i01 s PRO 57 N -2.28 4.18 0.24 2.91 0.04 -1.26 -5.08 135.00 133.75 3i01 s PRO 57 Ca 0.55 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 3i01 s PRO 57 Cb -0.24 -2.58 -0.08 0.00 0.04 0.00 0.00 34.50 31.65 3i01 s PRO 57 CO 0.31 -0.13 0.59 -0.65 0.04 0.00 0.00 177.00 177.15 3i01 s GLN 58 N -2.44 3.87 0.15 4.56 -0.21 -1.24 -4.96 119.66 119.39 3i01 s GLN 58 Ca 0.57 0.39 -0.34 0.00 0.02 0.00 0.00 55.36 56.00 3i01 s GLN 58 Cb -0.23 -2.65 -0.15 0.00 1.00 0.00 0.00 33.01 30.99 3i01 s GLN 58 CO 0.29 0.31 1.44 0.00 -2.12 0.00 0.00 175.29 175.21 3i01 h LYS 60 N 5.02 0.00 0.15 0.00 3.64 -1.98 -2.76 116.57 120.65 3i01 h LYS 60 Ca -0.46 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3i01 h LYS 60 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3i01 h LYS 60 CO 0.82 0.40 -0.07 0.82 -2.27 0.00 0.00 179.45 179.15 3i01 h ILE 61 N 0.00 0.91 -0.99 2.00 2.04 -1.98 -2.75 117.51 116.74 3i01 h ILE 61 Ca -0.13 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3i01 h ILE 61 Cb 1.59 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 3i01 h ILE 61 CO 0.06 0.06 0.65 1.23 0.00 0.00 0.00 178.15 180.15 3i01 h GLY 62 N -0.31 1.40 2.00 5.37 0.00 -1.92 -2.55 103.07 107.05 3i01 h GLY 62 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3i01 h GLY 62 CO 0.03 0.49 0.00 -1.82 0.00 0.00 0.00 176.54 175.25 3i01 h TYR 63 N 1.32 0.00 -0.01 5.60 3.20 -1.40 -2.44 116.97 123.24 3i01 h TYR 63 Ca 0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.24 3i01 h TYR 63 Cb -0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3i01 h TYR 63 CO -0.00 0.00 -0.32 0.39 -1.64 0.00 0.00 178.16 176.59 3i01 n GLU 64 N -3.08 1.78 -0.30 1.82 1.02 -0.99 -4.31 120.64 116.58 3i01 n GLU 64 Ca -0.01 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 3i01 n GLU 64 Cb 0.19 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.10 0.82 1.52 0.62 0.00 -0.92 0.44 105.19 108.78 3i01 n GLY 65 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.26 2.66 -4.04 -0.61 -5.35 -1.02 -3.29 119.36 105.45 3i01 n ILE 66 Ca 0.00 -1.84 -0.34 0.00 -0.27 0.00 0.00 62.75 60.30 3i01 n ILE 66 Cb 0.00 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 37.49 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 3.72 1.45 0.01 0.00 1.74 -1.26 -1.56 116.66 120.75 3i01 n ARG 69 Ca -0.19 -3.07 0.13 0.00 -0.77 0.00 0.00 57.85 53.95 3i01 n ARG 69 Cb 0.52 -1.19 0.57 0.00 -1.02 0.00 0.00 32.46 31.34 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 -0.37 0.06 -4.03 -1.55 3.01 -1.26 -4.86 117.46 108.45 3i01 n PHE 70 Ca 0.16 0.02 -0.11 0.00 1.01 0.00 0.00 57.45 58.53 3i01 n PHE 70 Cb 0.92 -0.53 -0.05 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.41 0.94 0.03 0.00 2.81 -1.26 -2.54 117.12 116.68 3i01 n MET 72 Ca -0.01 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.98 3i01 n MET 72 Cb 0.62 -1.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.84 3i01 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i01 n ALA 73 N -0.30 2.66 -1.28 3.04 0.00 -1.26 -4.95 120.51 118.41 3i01 n ALA 73 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3i01 n ALA 73 Cb 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3i01 n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i01 n GLY 74 N 1.25 0.29 3.76 0.00 0.00 -1.05 -4.79 105.19 104.64 3i01 n GLY 74 Ca -0.04 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 3i01 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i01 n PRO 75 N 0.00 2.18 -4.15 1.61 -0.02 -1.26 -5.08 135.00 128.28 3i01 n PRO 75 Ca 0.00 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 61.97 3i01 n PRO 75 Cb 0.00 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 30.79 3i01 n PRO 75 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i01 s ARG 77 N -2.41 0.38 -0.23 0.00 1.70 -1.26 -0.32 118.95 116.80 3i01 s ARG 77 Ca 0.25 -0.72 -0.22 0.00 -0.47 0.00 0.00 55.73 54.57 3i01 s ARG 77 Cb -0.11 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 34.39 3i01 s ARG 77 CO 0.18 -0.06 0.72 0.42 -1.08 0.00 0.00 175.30 175.47 3i01 s ILE 78 N -1.94 4.93 -0.99 4.99 -1.09 -1.07 -4.85 121.20 121.18 3i01 s ILE 78 Ca -0.11 1.35 0.19 0.00 -2.23 0.00 0.00 60.65 59.84 3i01 s ILE 78 Cb -0.06 -4.02 -0.19 0.00 -1.58 0.00 0.00 42.46 36.60 3i01 s ILE 78 CO -0.03 0.01 0.83 0.29 -1.23 0.00 0.00 174.94 174.81 3i01 n LYS 79 N 5.63 0.72 -3.62 2.79 5.02 0.12 -5.02 118.16 123.80 3i01 n LYS 79 Ca 0.02 -0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.24 3i01 n LYS 79 Cb 0.49 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.77 -2.23 -0.50 7.82 0.00 -1.13 -4.96 121.76 117.99 3i01 s ALA 80 Ca 0.08 0.72 0.24 0.00 0.00 0.00 0.00 51.96 53.00 3i01 s ALA 80 Cb 0.15 0.35 0.24 0.00 0.00 0.00 0.00 23.12 23.85 3i01 s ALA 80 CO 0.76 -1.04 1.26 1.79 0.00 0.00 0.00 175.76 178.54 3i01 h THR 81 N 2.00 0.00 -3.66 0.00 1.35 -1.92 -3.33 112.91 107.34 3i01 h THR 81 Ca -0.30 -0.69 -0.28 0.00 -0.55 0.00 0.00 66.41 64.58 3i01 h THR 81 Cb 1.20 1.29 -0.15 0.00 -1.73 0.00 0.00 68.15 68.77 3i01 h THR 81 CO 0.28 0.00 -0.69 1.51 -0.25 0.00 0.00 175.52 176.38 3i01 s ASP 82 N -4.76 1.37 0.00 5.36 1.47 -1.26 -4.87 116.67 113.98 3i01 s ASP 82 Ca 0.04 -1.08 0.00 0.00 1.18 0.00 0.00 52.55 52.69 3i01 s ASP 82 Cb 0.11 0.07 0.00 0.00 -0.34 0.00 0.00 42.92 42.77 3i01 s ASP 82 CO 0.74 -0.47 0.00 0.61 0.68 0.00 0.00 175.17 176.72 3i01 n GLY 83 N -0.18 -1.86 0.00 2.12 0.00 -1.26 -3.81 105.19 100.20 3i01 n GLY 83 Ca -0.09 -1.71 0.05 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 0.00 0.04 -0.21 1.61 -0.04 -1.26 -2.46 135.00 132.68 3i01 n PRO 84 Ca 0.00 0.29 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3i01 n PRO 84 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.17 3i01 n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i01 n GLY 85 N -0.47 1.95 0.66 0.55 0.00 -1.26 -4.34 105.19 102.27 3i01 n GLY 85 Ca 0.03 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 1.24 1.94 -3.85 1.61 3.41 -1.03 0.13 113.62 117.08 3i01 n SER 86 Ca 0.18 -1.83 -0.10 0.00 -0.26 0.00 0.00 58.87 56.86 3i01 n SER 86 Cb 0.54 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.66 0.75 1.14 4.33 0.52 -1.26 -4.44 118.95 118.33 3i01 s ARG 87 Ca 0.31 -0.74 -0.14 0.00 -0.52 0.00 0.00 55.73 54.64 3i01 s ARG 87 Cb 0.16 0.31 0.23 0.00 0.52 0.00 0.00 34.95 36.18 3i01 s ARG 87 CO 0.24 -0.23 0.78 0.41 0.02 0.00 0.00 175.30 176.52 3i01 n GLY 88 N 0.42 -2.01 0.31 -3.53 0.00 -0.31 -4.83 105.19 95.23 3i01 n GLY 88 Ca -0.17 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.47 0.96 0.00 -0.61 2.04 -1.94 -1.73 117.51 113.75 3i01 h ILE 89 Ca -0.58 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3i01 h ILE 89 Cb 1.33 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3i01 h ILE 89 CO 0.46 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.76 3i01 n GLY 91 N 0.80 0.93 3.76 0.00 0.00 -0.65 -4.93 105.19 105.10 3i01 n GLY 91 Ca 0.06 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3i01 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ALA 92 N -2.00 3.61 0.73 4.61 0.00 -1.26 -4.68 121.76 122.78 3i01 s ALA 92 Ca 0.00 1.44 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 3i01 s ALA 92 Cb 0.00 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.59 3i01 s ALA 92 CO 0.00 -0.87 1.09 -1.12 0.00 0.00 0.00 175.76 174.87 3i01 s SER 93 N 0.08 4.97 0.24 0.00 0.01 -1.26 -1.16 113.70 116.58 3i01 s SER 93 Ca 0.56 0.82 -0.07 0.00 1.31 0.00 0.00 55.95 58.58 3i01 s SER 93 Cb -0.44 -1.49 0.26 0.00 0.21 0.00 0.00 66.02 64.56 3i01 s SER 93 CO 0.52 -1.59 1.90 0.00 0.41 0.00 0.00 173.24 174.48 3i01 h ALA 94 N -0.76 1.19 0.00 1.44 0.00 -1.94 -0.16 119.26 119.04 3i01 h ALA 94 Ca -0.45 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 3i01 h ALA 94 Cb 1.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3i01 h ALA 94 CO 0.64 0.50 -0.26 0.11 0.00 0.00 0.00 179.25 180.24 3i01 h TRP 95 N 1.19 0.00 -0.10 0.00 0.09 -1.93 -0.61 115.95 114.59 3i01 h TRP 95 Ca 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 59.24 3i01 h TRP 95 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.19 3i01 h TRP 95 CO -0.01 0.26 -0.30 1.15 0.09 0.00 0.00 178.44 179.63 3i01 h THR 96 N 0.00 1.40 -0.26 0.12 2.02 -1.38 -1.18 112.91 113.62 3i01 h THR 96 Ca -0.00 -1.64 -0.00 0.00 0.77 0.00 0.00 66.41 65.54 3i01 h THR 96 Cb 0.46 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3i01 h THR 96 CO 0.03 0.48 0.16 0.40 0.37 0.00 0.00 175.52 176.96 3i01 h ILE 97 N -0.07 1.09 -0.49 3.11 2.04 -1.12 0.76 117.51 122.84 3i01 h ILE 97 Ca -0.01 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3i01 h ILE 97 Cb 0.92 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3i01 h ILE 97 CO 0.06 0.09 0.32 0.58 0.00 0.00 0.00 178.15 179.20 3i01 h VAL 98 N 0.34 1.11 -0.64 1.67 2.07 -1.10 -1.68 116.25 118.01 3i01 h VAL 98 Ca 0.09 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3i01 h VAL 98 Cb 0.01 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3i01 h VAL 98 CO -0.02 0.12 0.42 0.00 0.02 0.00 0.00 177.57 178.11 3i01 h ALA 99 N 1.19 1.67 -0.17 1.67 0.00 -0.94 -1.60 119.26 121.07 3i01 h ALA 99 Ca 0.18 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3i01 h ALA 99 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3i01 h ALA 99 CO -0.05 0.25 -0.32 0.00 0.00 0.00 0.00 179.25 179.13 3i01 h ARG 100 N 0.74 0.34 0.05 0.00 3.08 0.02 -0.07 114.38 118.54 3i01 h ARG 100 Ca 0.26 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 3i01 h ARG 100 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3i01 h ARG 100 CO -0.07 0.63 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.07 3i01 h ASN 101 N 0.30 0.16 -0.42 7.04 2.35 -0.56 -1.03 115.58 123.41 3i01 h ASN 101 Ca 0.04 -0.92 -0.07 0.00 -0.55 0.00 0.00 56.30 54.80 3i01 h ASN 101 Cb 0.72 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 3i01 h ASN 101 CO 0.05 1.21 -0.00 1.62 -1.65 0.00 0.00 177.43 178.67 3i01 h VAL 102 N -0.77 1.26 -0.97 2.81 3.04 -1.46 -2.75 116.25 117.40 3i01 h VAL 102 Ca -0.10 -1.03 0.24 0.00 -1.01 0.00 0.00 66.70 64.80 3i01 h VAL 102 Cb 1.27 1.09 -0.13 0.00 -2.01 0.00 0.00 31.29 31.52 3i01 h VAL 102 CO 0.02 0.35 0.53 1.23 -1.01 0.00 0.00 177.57 178.70 3i01 h GLY 103 N 0.58 1.81 1.01 3.17 0.00 -1.03 -1.66 103.07 106.95 3i01 h GLY 103 Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3i01 h GLY 103 CO 0.02 -0.27 -0.11 -2.00 0.00 0.00 0.00 176.54 174.19 3i01 h LEU 104 N 0.51 0.85 0.15 3.11 5.85 -0.89 -1.21 115.31 123.68 3i01 h LEU 104 Ca 0.63 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3i01 h LEU 104 Cb 1.20 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3i01 h LEU 104 CO -0.50 1.02 -0.15 0.24 -0.34 0.00 0.00 178.44 178.71 3i01 h MET 105 N 0.67 -0.31 -0.70 1.25 2.86 -1.25 -2.61 114.93 114.84 3i01 h MET 105 Ca 0.11 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.92 3i01 h MET 105 Cb 0.65 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.27 3i01 h MET 105 CO 0.04 -0.21 0.10 0.82 1.06 0.00 0.00 176.91 178.73 3i01 h ILE 106 N -0.33 0.49 -0.39 -1.22 2.04 -1.26 -1.43 117.51 115.41 3i01 h ILE 106 Ca 0.00 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3i01 h ILE 106 Cb 0.31 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3i01 h ILE 106 CO -0.04 0.04 -0.00 -0.07 0.00 0.00 0.00 178.15 178.08 3i01 h LEU 107 N 0.20 0.59 -0.36 1.44 3.38 -1.01 -0.75 115.31 118.80 3i01 h LEU 107 Ca 0.39 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 3i01 h LEU 107 Cb 0.66 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3i01 h LEU 107 CO -0.53 0.66 -0.32 0.71 0.09 0.00 0.00 178.44 179.04 3i01 h THR 108 N 0.59 1.28 0.27 0.22 1.35 -0.91 -0.01 112.91 115.70 3i01 h THR 108 Ca 0.12 -1.49 0.01 0.00 -0.55 0.00 0.00 66.41 64.50 3i01 h THR 108 Cb 0.38 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.18 3i01 h THR 108 CO 0.01 0.49 -0.40 1.23 -0.25 0.00 0.00 175.52 176.61 3i01 h GLY 109 N 0.66 -0.88 0.90 5.82 0.00 -1.22 -0.39 103.07 107.95 3i01 h GLY 109 Ca 0.06 0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.91 3i01 h GLY 109 CO 0.08 -0.30 0.61 0.00 0.00 0.00 0.00 176.54 176.93 3i01 h ALA 110 N -0.29 1.45 0.00 3.60 0.00 -1.10 0.92 119.26 123.83 3i01 h ALA 110 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3i01 h ALA 110 Cb 0.70 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3i01 h ALA 110 CO -0.14 0.44 -0.74 0.00 0.00 0.00 0.00 179.25 178.81 3i01 h ALA 111 N 1.48 0.72 -0.08 0.00 0.00 -0.93 0.33 119.26 120.76 3i01 h ALA 111 Ca 0.38 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3i01 h ALA 111 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i01 h ALA 111 CO -0.13 0.93 -0.12 0.00 0.00 0.00 0.00 179.25 179.92 3i01 h ALA 112 N 1.26 0.13 -0.33 0.00 0.00 -0.35 -0.96 119.26 119.00 3i01 h ALA 112 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3i01 h ALA 112 Cb 1.36 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3i01 h ALA 112 CO 0.10 -0.00 0.14 0.45 0.00 0.00 0.00 179.25 179.93 3i01 h HIS 113 N -0.22 0.45 -0.20 0.00 3.86 -0.81 -2.22 115.15 116.00 3i01 h HIS 113 Ca 0.01 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 3i01 h HIS 113 Cb 0.67 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3i01 h HIS 113 CO 0.10 0.35 -0.52 0.00 0.86 0.00 0.00 177.93 178.73 3i01 h GLU 115 N 0.41 0.97 -0.30 0.00 4.22 -0.94 -1.73 114.58 117.21 3i01 h GLU 115 Ca -0.01 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.27 3i01 h GLU 115 Cb 1.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3i01 h GLU 115 CO 0.11 0.73 0.00 1.25 -2.18 0.00 0.00 179.01 178.92 3i01 h HIS 116 N 0.95 0.57 -0.52 0.92 2.76 -1.26 -0.26 115.15 118.31 3i01 h HIS 116 Ca 0.24 -0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 58.20 3i01 h HIS 116 Cb 0.05 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3i01 h HIS 116 CO -0.00 0.66 -0.13 0.78 -1.30 0.00 0.00 177.93 177.93 3i01 h GLY 117 N 0.32 1.08 0.90 5.26 0.00 -1.21 -2.67 103.07 106.74 3i01 h GLY 117 Ca 0.08 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 3i01 h GLY 117 CO 0.02 0.81 0.06 -0.57 0.00 0.00 0.00 176.54 176.85 3i01 h ASN 118 N 0.88 0.48 -0.20 0.19 -0.00 -1.23 0.36 115.58 116.06 3i01 h ASN 118 Ca 0.13 -0.25 0.05 0.00 -0.00 0.00 0.00 56.30 56.24 3i01 h ASN 118 Cb 0.70 -0.13 -0.06 0.00 -0.00 0.00 0.00 38.32 38.83 3i01 h ASN 118 CO 0.05 0.60 -0.17 -0.74 -0.00 0.00 0.00 177.43 177.17 3i01 h HIS 119 N 0.34 -0.44 -0.24 0.67 2.76 -1.04 0.20 115.15 117.40 3i01 h HIS 119 Ca 0.10 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.21 3i01 h HIS 119 Cb 0.32 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 3i01 h HIS 119 CO 0.02 -0.25 -0.21 0.82 -1.30 0.00 0.00 177.93 177.01 3i01 h ILE 120 N -0.18 1.25 -0.45 6.26 2.04 -1.42 -0.50 117.51 124.50 3i01 h ILE 120 Ca 0.12 -1.16 -0.12 0.00 1.00 0.00 0.00 64.86 64.69 3i01 h ILE 120 Cb 0.37 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3i01 h ILE 120 CO -0.31 0.37 -0.21 0.00 0.00 0.00 0.00 178.15 178.00 3i01 h ALA 121 N 1.38 0.78 -0.72 1.87 0.00 -0.64 -0.67 119.26 121.26 3i01 h ALA 121 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.63 3i01 h ALA 121 Cb 0.60 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3i01 h ALA 121 CO 0.04 0.66 0.45 1.25 0.00 0.00 0.00 179.25 181.64 3i01 h HIS 122 N 0.78 0.83 -0.05 0.00 -0.00 -0.22 -3.01 115.15 113.49 3i01 h HIS 122 Ca 0.11 0.02 -0.18 0.00 -0.00 0.00 0.00 60.37 60.32 3i01 h HIS 122 Cb 0.76 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 3i01 h HIS 122 CO 0.05 0.46 -0.74 0.00 -0.00 0.00 0.00 177.93 177.69 3i01 h ALA 123 N 1.32 0.65 -0.98 5.26 0.00 -0.72 -2.44 119.26 122.35 3i01 h ALA 123 Ca 0.30 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3i01 h ALA 123 Cb 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3i01 h ALA 123 CO -0.13 0.80 0.64 1.25 0.00 0.00 0.00 179.25 181.82 3i01 h LEU 124 N 0.19 1.08 -0.02 0.00 5.85 -1.09 -1.67 115.31 119.65 3i01 h LEU 124 Ca -0.03 -0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.42 3i01 h LEU 124 Cb 1.31 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.10 3i01 h LEU 124 CO 0.12 0.75 -1.09 0.58 -0.34 0.00 0.00 178.44 178.46 3i01 h VAL 125 N 1.26 1.37 0.70 1.05 2.07 -1.39 -2.85 116.25 118.46 3i01 h VAL 125 Ca 0.38 -2.55 -0.03 0.00 0.82 0.00 0.00 66.70 65.32 3i01 h VAL 125 Cb -0.04 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3i01 h VAL 125 CO -0.11 0.76 -0.35 -0.08 0.02 0.00 0.00 177.57 177.82 3i01 h GLU 126 N 0.23 -0.92 -0.91 1.57 4.81 -1.28 -1.87 114.58 116.21 3i01 h GLU 126 Ca -0.13 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.31 3i01 h GLU 126 Cb 1.76 0.21 -0.15 0.00 0.63 0.00 0.00 28.75 31.20 3i01 h GLU 126 CO 0.20 -0.61 -0.38 1.98 -0.73 0.00 0.00 179.01 179.47 3i01 h MET 127 N -0.95 -0.03 0.00 1.92 4.05 -1.38 -1.43 114.93 117.10 3i01 h MET 127 Ca -0.09 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3i01 h MET 127 Cb 0.73 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.54 3i01 h MET 127 CO 0.15 -0.02 -0.03 0.00 0.23 0.00 0.00 176.91 177.24 3i01 h ALA 128 N 1.30 1.04 -0.01 0.39 0.00 -1.25 -1.06 119.26 119.67 3i01 h ALA 128 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i01 h ALA 128 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i01 h ALA 128 CO -0.93 0.04 -0.42 0.39 0.00 0.00 0.00 179.25 178.34 3i01 n GLU 129 N -3.19 1.41 0.00 0.00 1.02 -0.63 -4.83 120.64 114.43 3i01 n GLU 129 Ca -0.01 -0.93 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 3i01 n GLU 129 Cb 0.23 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 1.31 1.31 0.09 0.62 0.00 -0.40 -4.99 105.19 103.12 3i01 n GLY 130 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.17 -0.36 -3.21 1.61 5.02 -0.69 -4.68 118.16 114.68 3i01 n LYS 131 Ca 0.00 -0.72 -0.24 0.00 -2.02 0.00 0.00 58.31 55.33 3i01 n LYS 131 Cb 0.00 -1.04 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.08 2.57 0.27 7.82 0.00 -1.25 -4.20 120.51 125.80 3i01 n ALA 132 Ca 0.01 -3.54 0.13 0.00 0.00 0.00 0.00 53.44 50.05 3i01 n ALA 132 Cb 0.07 -0.83 0.70 0.00 0.00 0.00 0.00 19.45 19.40 3i01 n ALA 132 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i01 h PRO 133 N 3.94 0.00 -0.00 0.00 0.11 -1.85 -2.24 132.00 131.95 3i01 h PRO 133 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3i01 h PRO 133 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3i01 h PRO 133 CO 0.50 0.00 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.03 3i01 n ASP 134 N -2.61 0.48 -4.57 -2.05 8.00 -1.26 -4.80 116.55 109.74 3i01 n ASP 134 Ca -0.02 -1.07 -0.26 0.00 0.71 0.00 0.00 54.79 54.15 3i01 n ASP 134 Cb 0.30 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.07 2.36 0.14 1.24 1.51 -0.85 -5.01 117.35 114.68 3i01 s TYR 135 Ca 0.42 -0.72 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 3i01 s TYR 135 Cb 0.21 -1.60 0.07 0.00 -0.11 0.00 0.00 41.96 40.54 3i01 s TYR 135 CO 0.37 0.36 1.03 -1.54 -1.11 0.00 0.00 175.55 174.66 3i01 s SER 136 N -3.64 -0.11 -0.60 2.29 1.04 -1.26 -4.98 113.70 106.45 3i01 s SER 136 Ca 0.35 -0.45 -0.26 0.00 0.48 0.00 0.00 55.95 56.07 3i01 s SER 136 Cb 0.09 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.69 3i01 s SER 136 CO 0.17 -0.85 1.10 -0.69 0.98 0.00 0.00 173.24 173.95 3i01 s VAL 137 N -2.85 4.12 -1.55 5.02 1.01 -1.26 -4.34 120.40 120.55 3i01 s VAL 137 Ca 0.15 0.54 0.27 0.00 0.00 0.00 0.00 61.98 62.94 3i01 s VAL 137 Cb -0.01 -4.69 0.25 0.00 0.00 0.00 0.00 36.38 31.93 3i01 s VAL 137 CO 0.02 -1.34 1.60 0.29 0.00 0.00 0.00 175.10 175.67 3i01 n LYS 138 N 8.19 0.61 -3.46 2.72 5.02 -0.43 -4.64 118.16 126.16 3i01 n LYS 138 Ca 0.05 -0.33 -0.29 0.00 -2.02 0.00 0.00 58.31 55.72 3i01 n LYS 138 Cb 0.48 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.62 2.68 0.38 4.39 3.68 -0.93 -4.55 116.67 119.71 3i01 s ASP 139 Ca 0.22 -2.39 0.11 0.00 2.13 0.00 0.00 52.55 52.61 3i01 s ASP 139 Cb 0.19 -0.44 0.77 0.00 -1.45 0.00 0.00 42.92 42.00 3i01 s ASP 139 CO 0.55 -0.28 1.88 -0.33 0.13 0.00 0.00 175.17 177.13 3i01 h GLU 140 N 6.71 0.14 0.33 4.34 5.08 -1.86 -1.45 114.58 127.87 3i01 h GLU 140 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3i01 h GLU 140 Cb 0.95 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3i01 h GLU 140 CO 0.30 0.37 -0.16 0.00 -1.00 0.00 0.00 179.01 178.51 3i01 h ALA 141 N 1.64 -0.44 -0.18 3.43 0.00 -1.99 -1.47 119.26 120.25 3i01 h ALA 141 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 141 Cb 0.48 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3i01 h ALA 141 CO 0.03 -0.70 -0.02 -0.22 0.00 0.00 0.00 179.25 178.34 3i01 h LYS 142 N -0.55 0.03 -0.97 0.00 1.63 -1.89 -0.90 116.57 113.93 3i01 h LYS 142 Ca -0.05 -0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.90 3i01 h LYS 142 Cb 0.41 -0.01 -0.15 0.00 -0.60 0.00 0.00 32.23 31.88 3i01 h LYS 142 CO 0.07 0.02 -0.40 -0.11 -3.45 0.00 0.00 179.45 175.58 3i01 n LEU 143 N -5.16 -0.68 0.08 5.20 7.94 -0.56 -1.09 117.00 122.74 3i01 n LEU 143 Ca -0.03 1.69 -0.10 0.00 -1.11 0.00 0.00 56.01 56.47 3i01 n LEU 143 Cb 0.11 -0.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.63 3i01 n LEU 143 CO 0.26 -1.50 0.16 0.11 -1.11 0.00 0.00 177.39 175.31 3i01 h LYS 144 N 0.00 0.17 -0.40 1.96 1.57 -0.16 0.81 116.57 120.51 3i01 h LYS 144 Ca 0.32 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3i01 h LYS 144 Cb 0.56 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3i01 h LYS 144 CO -0.96 1.02 0.24 1.49 -0.57 0.00 0.00 179.45 180.67 3i01 h GLU 145 N 0.08 0.55 -0.22 3.15 4.57 -0.86 0.26 114.58 122.10 3i01 h GLU 145 Ca -0.06 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3i01 h GLU 145 Cb 1.66 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.13 3i01 h GLU 145 CO 0.15 0.42 -0.03 0.28 -1.18 0.00 0.00 179.01 178.65 3i01 h VAL 146 N 0.53 1.27 -0.64 0.32 2.07 -0.85 -0.54 116.25 118.41 3i01 h VAL 146 Ca 0.14 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3i01 h VAL 146 Cb 0.01 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3i01 h VAL 146 CO -0.03 0.30 0.32 0.00 0.02 0.00 0.00 177.57 178.19 3i01 h ARG 148 N 0.59 1.08 -0.65 0.00 3.08 -0.78 0.30 114.38 118.00 3i01 h ARG 148 Ca 0.30 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3i01 h ARG 148 Cb 0.25 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3i01 h ARG 148 CO -0.21 0.75 0.12 -0.09 -1.07 0.00 0.00 179.97 179.46 3i01 h ARG 149 N 1.10 1.06 -0.26 0.04 2.43 -0.43 -1.66 114.38 116.65 3i01 h ARG 149 Ca 0.29 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3i01 h ARG 149 Cb -0.07 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3i01 h ARG 149 CO -0.06 0.96 0.00 1.33 -1.51 0.00 0.00 179.97 180.69 3i01 n VAL 150 N -4.22 0.35 -1.01 0.20 0.24 -0.84 -4.91 118.33 108.14 3i01 n VAL 150 Ca 0.04 -0.37 -0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3i01 n VAL 150 Cb 0.28 0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.97 0.44 3.72 7.63 0.00 -0.62 -5.03 105.19 112.29 3i01 n GLY 151 Ca 0.10 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 3.96 -0.35 -0.61 1.01 0.97 -4.99 121.20 119.19 3i01 s ILE 152 Ca 0.00 1.47 -0.28 0.00 0.00 0.00 0.00 60.65 61.84 3i01 s ILE 152 Cb 0.00 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.54 3i01 s ILE 152 CO 0.00 0.15 1.05 -0.70 0.00 0.00 0.00 174.94 175.44 3i01 s GLU 153 N 0.69 3.99 0.14 2.79 -6.30 -1.26 -4.07 118.70 114.67 3i01 s GLU 153 Ca 0.56 0.93 0.14 0.00 -2.50 0.00 0.00 54.97 54.10 3i01 s GLU 153 Cb -0.30 -3.77 -0.09 0.00 0.00 0.00 0.00 34.13 29.97 3i01 s GLU 153 CO 0.31 -0.96 1.11 0.28 0.02 0.00 0.00 175.26 176.02 3i01 h VAL 154 N 5.80 0.90 -2.76 3.70 2.07 -1.94 -3.47 116.25 120.55 3i01 h VAL 154 Ca -0.21 -2.43 -0.54 0.00 0.82 0.00 0.00 66.70 64.34 3i01 h VAL 154 Cb 1.06 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3i01 h VAL 154 CO 1.03 0.51 0.95 -1.61 0.02 0.00 0.00 177.57 178.48 3i01 s GLU 155 N -2.86 4.23 0.00 1.57 0.41 -1.26 -3.09 118.70 117.70 3i01 s GLU 155 Ca 0.00 2.15 0.00 0.00 -0.41 0.00 0.00 54.97 56.71 3i01 s GLU 155 Cb 0.08 -3.68 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 3i01 s GLU 155 CO 0.79 -0.70 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 3i01 n GLY 156 N 3.88 0.41 3.64 -1.39 0.00 -1.26 -5.08 105.19 105.40 3i01 n GLY 156 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.97 2.46 1.11 1.61 1.02 -1.18 -5.14 119.74 118.65 3i01 s LYS 157 Ca 0.00 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 54.97 3i01 s LYS 157 Cb 0.00 -2.48 0.24 0.00 -0.52 0.00 0.00 37.83 35.07 3i01 s LYS 157 CO 0.00 0.55 1.12 -1.54 -0.92 0.00 0.00 175.35 174.56 3i01 s SER 158 N -2.10 1.73 0.21 2.83 1.04 -1.26 -4.90 113.70 111.25 3i01 s SER 158 Ca 0.23 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.41 3i01 s SER 158 Cb -0.11 -1.15 0.19 0.00 0.10 0.00 0.00 66.02 65.04 3i01 s SER 158 CO 0.15 -3.64 1.57 -0.37 0.98 0.00 0.00 173.24 171.93 3i01 h VAL 159 N -2.25 1.30 -0.45 5.02 -1.51 -2.00 -2.96 116.25 113.41 3i01 h VAL 159 Ca -0.48 -1.60 -0.12 0.00 -1.23 0.00 0.00 66.70 63.27 3i01 h VAL 159 Cb 1.30 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 3i01 h VAL 159 CO 0.43 0.51 -0.18 -0.07 -1.23 0.00 0.00 177.57 177.03 3i01 h LEU 160 N 0.48 0.89 -1.29 4.19 3.38 -1.92 -1.10 115.31 119.93 3i01 h LEU 160 Ca 0.04 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3i01 h LEU 160 Cb 0.93 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3i01 h LEU 160 CO 0.08 1.05 -0.28 -0.33 0.09 0.00 0.00 178.44 179.05 3i01 h GLU 161 N 0.77 0.12 -0.02 1.13 5.08 -1.87 -1.52 114.58 118.27 3i01 h GLU 161 Ca 0.11 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 3i01 h GLU 161 Cb 0.71 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.96 3i01 h GLU 161 CO 0.05 0.40 -0.93 -0.07 -1.00 0.00 0.00 179.01 177.46 3i01 h LEU 162 N 0.11 0.64 -0.53 1.33 3.38 -1.14 -1.56 115.31 117.54 3i01 h LEU 162 Ca 0.02 -0.50 -0.16 0.00 0.09 0.00 0.00 57.88 57.33 3i01 h LEU 162 Cb 0.56 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3i01 h LEU 162 CO 0.04 1.29 -0.72 0.00 0.09 0.00 0.00 178.44 179.15 3i01 h ALA 163 N 0.67 0.76 -0.16 1.53 0.00 -1.13 0.15 119.26 121.09 3i01 h ALA 163 Ca -0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 3i01 h ALA 163 Cb 1.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3i01 h ALA 163 CO 0.17 0.84 -0.16 0.37 0.00 0.00 0.00 179.25 180.47 3i01 h GLN 164 N 0.08 0.39 -0.47 0.00 4.15 -1.26 -2.31 115.11 115.69 3i01 h GLN 164 Ca -0.02 -0.21 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 3i01 h GLN 164 Cb 1.27 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 3i01 h GLN 164 CO 0.10 0.77 -0.10 1.49 -1.93 0.00 0.00 178.83 179.16 3i01 h GLU 165 N 0.03 0.90 -0.12 1.69 4.81 -1.06 -1.40 114.58 119.43 3i01 h GLU 165 Ca 0.02 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 58.74 3i01 h GLU 165 Cb 0.70 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3i01 h GLU 165 CO 0.04 0.99 -0.65 -0.24 -0.73 0.00 0.00 179.01 178.42 3i01 h VAL 166 N 0.74 1.35 -0.56 0.32 3.04 -0.77 -2.23 116.25 118.15 3i01 h VAL 166 Ca 0.12 -1.98 -0.10 0.00 -1.01 0.00 0.00 66.70 63.72 3i01 h VAL 166 Cb 0.65 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 3i01 h VAL 166 CO 0.04 0.60 -0.05 1.23 -1.01 0.00 0.00 177.57 178.38 3i01 h GLY 167 N 1.19 1.09 1.82 3.17 0.00 -1.30 -2.22 103.07 106.82 3i01 h GLY 167 Ca -0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 47.33 46.39 3i01 h GLY 167 CO 0.11 0.76 -0.36 0.83 0.00 0.00 0.00 176.54 177.89 3i01 h GLU 168 N 0.91 0.21 -0.63 4.80 5.08 -1.14 -1.86 114.58 121.95 3i01 h GLU 168 Ca 0.15 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3i01 h GLU 168 Cb 0.60 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3i01 h GLU 168 CO 0.04 0.55 0.05 -0.22 -1.00 0.00 0.00 179.01 178.43 3i01 h LYS 169 N 0.18 1.08 0.03 2.33 1.63 -1.22 -1.64 116.57 118.97 3i01 h LYS 169 Ca 0.02 -0.32 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3i01 h LYS 169 Cb 0.73 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3i01 h LYS 169 CO 0.06 1.02 -0.02 0.00 -3.45 0.00 0.00 179.45 177.06 3i01 h ALA 170 N 1.01 -0.05 -1.05 5.00 0.00 -1.24 -2.88 119.26 120.05 3i01 h ALA 170 Ca 0.19 -0.22 0.33 0.00 0.00 0.00 0.00 54.91 55.21 3i01 h ALA 170 Cb 0.50 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.17 3i01 h ALA 170 CO 0.02 -0.30 0.62 -0.07 0.00 0.00 0.00 179.25 179.52 3i01 h LEU 171 N -0.49 0.48 -1.53 0.00 3.38 -1.33 1.23 115.31 117.04 3i01 h LEU 171 Ca -0.00 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.32 3i01 h LEU 171 Cb 0.46 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3i01 h LEU 171 CO 0.01 -0.11 0.56 -0.33 0.09 0.00 0.00 178.44 178.66 3i01 h GLU 172 N 0.31 0.41 0.00 1.13 5.08 -1.07 -1.63 114.58 118.80 3i01 h GLU 172 Ca 0.73 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 59.02 3i01 h GLU 172 Cb 1.77 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 3i01 h GLU 172 CO -0.54 0.27 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.07 3i01 h ASP 173 N 0.42 0.00 1.03 1.42 5.19 0.15 -2.29 116.42 122.35 3i01 h ASP 173 Ca 0.43 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.64 3i01 h ASP 173 Cb 1.03 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 3i01 h ASP 173 CO -0.15 0.23 -0.96 -0.26 -3.12 0.00 0.00 179.24 174.97 3i01 h PHE 174 N 0.00 0.00 0.00 4.55 -1.00 -1.10 0.31 116.94 119.71 3i01 h PHE 174 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3i01 h PHE 174 Cb 1.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 3i01 h PHE 174 CO 0.00 0.96 -1.68 0.54 -1.61 0.00 0.00 178.31 176.53 3i01 n ARG 175 N -3.34 0.62 -2.19 1.51 1.74 -1.02 -3.55 116.66 110.42 3i01 n ARG 175 Ca 0.00 -0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.59 3i01 n ARG 175 Cb 0.92 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 30.75 3i01 n ARG 175 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i01 s ARG 176 N -3.46 3.97 0.27 5.56 3.52 -0.89 -4.95 118.95 122.97 3i01 s ARG 176 Ca -0.05 1.95 0.05 0.00 -0.13 0.00 0.00 55.73 57.55 3i01 s ARG 176 Cb 0.13 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.83 3i01 s ARG 176 CO 0.87 -0.42 0.40 -0.51 -0.81 0.00 0.00 175.30 174.83 3i01 s LEU 177 N -2.55 4.22 0.06 -0.88 1.43 -1.26 -2.57 118.68 117.14 3i01 s LEU 177 Ca 0.58 0.06 -0.37 0.00 -1.03 0.00 0.00 54.13 53.36 3i01 s LEU 177 Cb -0.33 -2.88 -0.18 0.00 0.03 0.00 0.00 46.19 42.82 3i01 s LEU 177 CO 0.42 -0.16 1.15 1.17 0.23 0.00 0.00 176.35 179.16 3i01 n LYS 178 N -1.49 0.57 -0.06 1.70 4.81 -1.26 -0.87 118.16 121.56 3i01 n LYS 178 Ca -0.07 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3i01 n LYS 178 Cb 0.57 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.89 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 1.97 2.50 0.26 3.14 0.00 -1.26 -4.89 105.19 106.91 3i01 n GLY 179 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.00 1.06 -0.07 1.61 1.02 -0.05 -5.03 120.64 117.18 3i01 n GLU 180 Ca 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 3i01 n GLU 180 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 1.24 0.91 3.33 0.62 0.00 -1.26 -4.96 105.19 105.07 3i01 n GLY 181 Ca 0.16 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.00 1.24 -0.21 1.61 2.02 -1.26 -4.24 118.70 115.86 3i01 s GLU 182 Ca 0.00 -1.25 -0.29 0.00 0.02 0.00 0.00 54.97 53.45 3i01 s GLU 182 Cb 0.00 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.60 3i01 s GLU 182 CO 0.00 0.38 1.60 0.00 0.02 0.00 0.00 175.26 177.25 3i01 s ALA 183 N -1.14 3.32 0.18 5.21 0.00 -0.25 -4.92 121.76 124.17 3i01 s ALA 183 Ca 0.10 0.50 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 3i01 s ALA 183 Cb -0.10 -3.83 0.12 0.00 0.00 0.00 0.00 23.12 19.31 3i01 s ALA 183 CO 0.05 -1.87 1.60 1.15 0.00 0.00 0.00 175.76 176.69 3i01 h THR 184 N 6.07 0.22 0.00 0.00 2.02 -1.92 -1.85 112.91 117.45 3i01 h THR 184 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3i01 h THR 184 Cb 1.15 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3i01 h THR 184 CO 1.00 0.00 0.00 0.79 0.37 0.00 0.00 175.52 177.68 3i01 n TRP 185 N -5.43 0.24 -0.06 3.16 8.01 -1.26 -1.54 117.44 120.56 3i01 n TRP 185 Ca 0.04 0.08 -0.06 0.00 -1.31 0.00 0.00 57.50 56.25 3i01 n TRP 185 Cb 0.34 -0.63 -0.05 0.00 -2.01 0.00 0.00 31.31 28.97 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 -1.56 -0.99 5.85 -1.75 -3.36 115.31 113.50 3i01 h LEU 186 Ca 0.00 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3i01 h LEU 186 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3i01 h LEU 186 CO 0.00 0.71 -0.20 0.24 -0.34 0.00 0.00 178.44 178.86 3i01 h MET 187 N -1.00 0.00 -0.01 1.25 2.86 -1.04 -2.10 114.93 114.89 3i01 h MET 187 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3i01 h MET 187 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3i01 h MET 187 CO -0.00 0.20 -0.36 0.25 1.06 0.00 0.00 176.91 178.06 3i01 n THR 188 N -3.64 0.00 0.11 2.22 -2.24 -0.59 -3.82 114.28 106.33 3i01 n THR 188 Ca -0.01 -0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.62 3i01 n THR 188 Cb 0.33 0.79 0.08 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.35 0.52 -4.52 4.28 -2.24 -0.81 -4.97 114.28 106.19 3i01 n THR 189 Ca 0.11 -0.76 -0.25 0.00 -2.27 0.00 0.00 64.05 60.88 3i01 n THR 189 Cb 0.40 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.89 2.25 0.82 2.28 -4.36 -1.09 -4.84 121.20 115.37 3i01 s ILE 190 Ca 0.15 -2.25 -0.11 0.00 -0.26 0.00 0.00 60.65 58.18 3i01 s ILE 190 Cb 0.09 -2.55 0.08 0.00 1.25 0.00 0.00 42.46 41.34 3i01 s ILE 190 CO 0.12 -0.26 1.09 0.54 0.24 0.00 0.00 174.94 176.68 3i01 s ASN 191 N -3.57 4.24 0.18 4.36 4.22 -1.26 -4.82 114.94 118.29 3i01 s ASN 191 Ca 0.32 1.38 -0.13 0.00 -2.14 0.00 0.00 52.86 52.29 3i01 s ASN 191 Cb 0.01 -2.10 0.16 0.00 1.28 0.00 0.00 41.25 40.60 3i01 s ASN 191 CO 0.16 -2.14 1.76 -0.33 -2.04 0.00 0.00 177.10 174.51 3i01 h GLU 192 N -1.20 0.40 -0.51 3.55 4.39 -1.98 -1.92 114.58 117.31 3i01 h GLU 192 Ca -0.47 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.28 3i01 h GLU 192 Cb 1.27 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.73 3i01 h GLU 192 CO 0.58 0.26 -0.45 0.78 -1.16 0.00 0.00 179.01 179.02 3i01 h GLY 193 N 0.41 -0.56 1.07 -3.84 0.00 -1.94 0.21 103.07 98.42 3i01 h GLY 193 Ca 0.24 0.58 0.00 0.00 0.00 0.00 0.00 47.33 48.15 3i01 h GLY 193 CO -0.21 -0.16 0.60 3.21 0.00 0.00 0.00 176.54 179.98 3i01 h ARG 194 N -0.28 1.24 -0.79 4.80 2.47 -1.89 -1.54 114.38 118.40 3i01 h ARG 194 Ca 0.15 -0.09 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3i01 h ARG 194 Cb 0.57 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 28.58 3i01 h ARG 194 CO -0.64 0.84 0.52 0.87 0.56 0.00 0.00 179.97 182.11 3i01 h LYS 195 N 1.27 1.00 -0.21 0.04 1.57 -0.61 -1.88 116.57 117.75 3i01 h LYS 195 Ca 0.34 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 3i01 h LYS 195 Cb -0.11 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 31.96 3i01 h LYS 195 CO -0.07 0.66 -0.55 0.93 -0.57 0.00 0.00 179.45 179.85 3i01 h GLU 196 N 1.03 0.62 0.31 3.15 5.08 0.02 -2.07 114.58 122.71 3i01 h GLU 196 Ca 0.30 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3i01 h GLU 196 Cb -0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3i01 h GLU 196 CO -0.09 1.00 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.39 3i01 h LYS 197 N 0.47 -0.63 -0.16 2.33 1.63 -1.07 -0.66 116.57 118.49 3i01 h LYS 197 Ca 0.01 0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 3i01 h LYS 197 Cb 1.10 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 3i01 h LYS 197 CO 0.11 -0.42 -0.27 0.74 -3.45 0.00 0.00 179.45 176.16 3i01 h PHE 198 N -0.65 0.32 0.03 1.91 0.05 -1.34 -0.00 116.94 117.26 3i01 h PHE 198 Ca -0.01 -0.06 -0.00 0.00 3.82 0.00 0.00 57.97 61.71 3i01 h PHE 198 Cb 0.60 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.47 3i01 h PHE 198 CO -0.19 0.54 -0.02 0.00 -0.18 0.00 0.00 178.31 178.46 3i01 h ARG 199 N 0.26 -0.04 0.00 1.51 3.08 -1.18 -1.44 114.38 116.56 3i01 h ARG 199 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3i01 h ARG 199 Cb 0.62 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3i01 h ARG 199 CO 0.04 0.43 -0.24 1.79 -1.07 0.00 0.00 179.97 180.93 3i01 h THR 200 N -0.54 0.84 -0.03 2.04 1.35 -0.94 -2.97 112.91 112.66 3i01 h THR 200 Ca -0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3i01 h THR 200 Cb 0.50 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3i01 h THR 200 CO 0.01 0.23 -0.01 1.41 -0.25 0.00 0.00 175.52 176.90 3i01 n HIS 201 N -3.78 0.00 -3.82 4.73 8.25 -0.03 -4.98 115.22 115.60 3i01 n HIS 201 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 3i01 n HIS 201 Cb 0.34 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.49 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 1.05 -5.15 -0.29 0.41 5.15 -0.62 -4.92 115.26 110.89 3i01 n ASN 202 Ca 0.15 -0.71 0.03 0.00 -0.60 0.00 0.00 54.58 53.45 3i01 n ASN 202 Cb 0.54 -4.23 0.07 0.00 -0.53 0.00 0.00 39.78 35.63 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 -4.77 1.05 -1.98 3.44 0.24 -0.76 -4.97 118.33 110.58 3i01 n VAL 203 Ca 0.02 -1.05 -0.42 0.00 -2.04 0.00 0.00 64.34 60.85 3i01 n VAL 203 Cb 0.54 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.35 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 -1.09 3.51 0.36 3.34 1.01 -1.22 -4.33 120.40 121.99 3i01 s VAL 204 Ca 0.11 0.65 -0.28 0.00 0.00 0.00 0.00 61.98 62.46 3i01 s VAL 204 Cb 0.06 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 3i01 s VAL 204 CO 0.07 -0.05 1.51 -2.65 0.00 0.00 0.00 175.10 173.98 3i01 n PRO 205 N 7.04 2.70 0.00 2.72 -0.02 -1.26 -4.88 135.00 141.30 3i01 n PRO 205 Ca 0.17 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 3i01 n PRO 205 Cb 0.42 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3i01 n PRO 205 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3i01 n PHE 206 N 0.74 0.00 -4.48 6.00 -1.74 -1.26 -1.09 117.46 115.63 3i01 n PHE 206 Ca 0.02 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.66 3i01 n PHE 206 Cb 0.39 -0.29 -0.10 0.00 1.52 0.00 0.00 39.48 41.00 3i01 n PHE 206 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3i01 s GLY 207 N -1.71 2.11 -0.05 4.97 0.00 -1.06 -3.42 107.32 108.16 3i01 s GLY 207 Ca 0.00 -2.02 -0.25 0.00 0.00 0.00 0.00 44.72 42.45 3i01 s GLY 207 CO 0.00 -1.99 1.08 -2.22 0.00 0.00 0.00 173.10 169.97 3i01 h ILE 208 N 2.01 1.52 -0.23 0.90 2.04 -1.07 -1.23 117.51 121.44 3i01 h ILE 208 Ca -0.42 -1.76 -0.08 0.00 1.00 0.00 0.00 64.86 63.60 3i01 h ILE 208 Cb 1.25 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.94 3i01 h ILE 208 CO 0.68 0.48 -0.20 0.45 0.00 0.00 0.00 178.15 179.55 3i01 h HIS 209 N -0.51 0.45 0.00 1.37 3.86 -1.82 -2.85 115.15 115.65 3i01 h HIS 209 Ca -0.01 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.00 3i01 h HIS 209 Cb 0.86 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 3i01 h HIS 209 CO 0.16 0.60 -0.75 0.00 0.86 0.00 0.00 177.93 178.80 3i01 h ALA 210 N 1.41 0.67 -0.09 2.45 0.00 -1.79 -0.69 119.26 121.22 3i01 h ALA 210 Ca 0.06 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3i01 h ALA 210 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3i01 h ALA 210 CO 0.04 0.65 -0.17 0.77 0.00 0.00 0.00 179.25 180.53 3i01 h SER 211 N 0.00 0.31 -0.16 0.00 0.02 -1.12 -1.84 113.55 110.76 3i01 h SER 211 Ca -0.05 -0.55 0.04 0.00 -0.84 0.00 0.00 61.79 60.39 3i01 h SER 211 Cb 1.40 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 3i01 h SER 211 CO 0.05 0.81 -0.08 0.40 -1.14 0.00 0.00 176.83 176.87 3i01 h ILE 212 N -0.17 0.73 -0.67 3.27 2.04 -1.53 -2.90 117.51 118.28 3i01 h ILE 212 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3i01 h ILE 212 Cb 0.75 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3i01 h ILE 212 CO 0.04 0.00 0.44 -1.28 0.00 0.00 0.00 178.15 177.35 3i01 h SER 213 N -0.07 0.71 -0.19 1.72 0.87 -1.06 -2.36 113.55 113.17 3i01 h SER 213 Ca 0.09 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3i01 h SER 213 Cb 0.21 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3i01 h SER 213 CO -0.21 0.50 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.40 3i01 h GLU 214 N 0.83 0.42 -0.92 2.24 4.57 -1.14 -1.59 114.58 118.99 3i01 h GLU 214 Ca 0.26 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3i01 h GLU 214 Cb 0.02 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 3i01 h GLU 214 CO -0.07 0.73 0.61 1.25 -1.18 0.00 0.00 179.01 180.35 3i01 h LEU 215 N 0.10 1.05 -0.41 1.64 5.85 -1.32 -1.41 115.31 120.81 3i01 h LEU 215 Ca 0.04 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3i01 h LEU 215 Cb 0.62 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3i01 h LEU 215 CO 0.03 0.76 0.08 0.58 -0.34 0.00 0.00 178.44 179.55 3i01 h VAL 216 N 1.24 0.78 -0.35 1.05 2.07 -1.20 -2.11 116.25 117.73 3i01 h VAL 216 Ca 0.34 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.83 3i01 h VAL 216 Cb -0.13 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3i01 h VAL 216 CO -0.08 0.04 0.11 -1.13 0.02 0.00 0.00 177.57 176.53 3i01 h ASN 217 N 0.21 0.10 0.48 0.57 -0.00 -0.98 -2.41 115.58 113.55 3i01 h ASN 217 Ca 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 3i01 h ASN 217 Cb 0.24 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.60 3i01 h ASN 217 CO -0.26 0.09 0.00 1.56 -0.00 0.00 0.00 177.43 178.82 3i01 h GLN 218 N 0.25 0.00 0.00 6.67 4.20 -0.80 -2.54 115.11 122.89 3i01 h GLN 218 Ca 0.16 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 3i01 h GLN 218 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3i01 h GLN 218 CO -0.18 0.00 -1.48 0.00 -0.67 0.00 0.00 178.83 176.50 3i01 n ALA 219 N -1.85 2.14 -1.40 3.87 0.00 -0.84 -2.81 120.51 119.63 3i01 n ALA 219 Ca 0.00 -0.54 -0.40 0.00 0.00 0.00 0.00 53.44 52.51 3i01 n ALA 219 Cb 0.17 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.74 3i01 n ALA 219 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i01 n HIS 220 N -2.75 -1.23 -1.65 0.00 -0.00 -0.96 -4.84 115.22 103.80 3i01 n HIS 220 Ca -0.09 0.52 -0.55 0.00 -0.00 0.00 0.00 57.72 57.60 3i01 n HIS 220 Cb 0.77 -1.89 -0.07 0.00 -0.00 0.00 0.00 29.99 28.80 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 0.63 1.07 -1.94 1.57 0.00 -1.26 -2.70 117.12 114.48 3i01 n MET 221 Ca 0.11 0.39 -0.03 0.00 -0.00 0.00 0.00 57.70 58.16 3i01 n MET 221 Cb 0.44 -2.04 -0.00 0.00 0.00 0.00 0.00 33.22 31.62 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 3.27 0.29 0.00 -5.12 0.00 -1.26 -5.00 105.19 97.36 3i01 n GLY 222 Ca 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.51 0.00 -2.88 1.61 2.00 -1.10 -5.05 117.12 110.19 3i01 n MET 223 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.30 3i01 n MET 223 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.63 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 -0.75 7.17 -0.01 7.83 3.68 -1.12 -4.96 116.67 128.52 3i01 s ASP 224 Ca 0.00 1.68 0.01 0.00 2.13 0.00 0.00 52.55 56.37 3i01 s ASP 224 Cb 0.00 -2.52 0.02 0.00 -1.45 0.00 0.00 42.92 38.96 3i01 s ASP 224 CO 0.00 -0.10 0.73 -3.20 0.13 0.00 0.00 175.17 172.73 3i01 n ASN 225 N 0.34 0.68 -4.63 -0.34 5.15 -1.26 -4.98 115.26 110.22 3i01 n ASN 225 Ca 0.02 -1.52 -0.39 0.00 -0.60 0.00 0.00 54.58 52.09 3i01 n ASN 225 Cb 0.51 -0.05 -0.08 0.00 -0.53 0.00 0.00 39.78 39.63 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 -0.56 6.42 0.21 1.20 -1.08 -1.26 -4.84 116.67 116.75 3i01 s ASP 226 Ca 0.02 0.50 -0.04 0.00 -0.52 0.00 0.00 52.55 52.50 3i01 s ASP 226 Cb 0.02 -2.26 0.18 0.00 -1.46 0.00 0.00 42.92 39.40 3i01 s ASP 226 CO 0.00 -0.22 1.63 1.55 0.52 0.00 0.00 175.17 178.65 3i01 h PRO 227 N 7.88 0.78 -0.35 4.34 0.13 -1.97 -0.93 132.00 141.89 3i01 h PRO 227 Ca -0.31 -0.31 -0.05 0.00 -0.87 0.00 0.00 66.00 64.46 3i01 h PRO 227 Cb 1.15 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3i01 h PRO 227 CO 0.70 0.93 0.04 0.28 -0.23 0.00 0.00 178.00 179.72 3i01 h VAL 228 N 0.68 1.24 -0.78 1.56 2.07 -1.99 -0.88 116.25 118.16 3i01 h VAL 228 Ca 0.10 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3i01 h VAL 228 Cb 0.73 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3i01 h VAL 228 CO 0.06 0.29 0.45 -1.13 0.02 0.00 0.00 177.57 177.26 3i01 h ASN 229 N 0.41 0.96 -0.16 0.57 -1.24 -1.94 0.25 115.58 114.43 3i01 h ASN 229 Ca 0.10 -0.08 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 3i01 h ASN 229 Cb 0.39 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.19 3i01 h ASN 229 CO 0.01 0.76 -0.11 -0.07 -1.29 0.00 0.00 177.43 176.73 3i01 h LEU 230 N 1.08 0.37 0.04 0.34 3.38 -1.10 -1.12 115.31 118.30 3i01 h LEU 230 Ca 0.28 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3i01 h LEU 230 Cb -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3i01 h LEU 230 CO -0.05 0.73 -0.07 0.58 0.09 0.00 0.00 178.44 179.72 3i01 h VAL 231 N 0.00 0.83 -0.96 1.22 2.07 -0.84 -0.39 116.25 118.18 3i01 h VAL 231 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 3i01 h VAL 231 Cb 0.61 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 3i01 h VAL 231 CO 0.03 0.00 0.59 -0.26 0.02 0.00 0.00 177.57 177.95 3i01 h PHE 232 N -0.15 1.06 -0.50 1.57 -1.00 -0.56 0.36 116.94 117.71 3i01 h PHE 232 Ca 0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3i01 h PHE 232 Cb 0.16 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 3i01 h PHE 232 CO -0.12 0.40 0.33 1.03 -1.61 0.00 0.00 178.31 178.33 3i01 h SER 233 N 0.91 0.58 0.65 2.17 0.87 -0.44 -1.62 113.55 116.67 3i01 h SER 233 Ca 0.48 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.86 3i01 h SER 233 Cb 0.51 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3i01 h SER 233 CO -0.28 0.43 -0.75 0.00 -0.53 0.00 0.00 176.83 175.70 3i01 h ALA 234 N 1.68 0.73 -0.07 6.23 0.00 0.69 -2.28 119.26 126.24 3i01 h ALA 234 Ca 0.18 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 3i01 h ALA 234 Cb -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i01 h ALA 234 CO -0.04 0.89 -0.47 0.82 0.00 0.00 0.00 179.25 180.45 3i01 h ILE 235 N 0.05 1.34 -0.26 0.00 2.04 -0.68 0.14 117.51 120.13 3i01 h ILE 235 Ca -0.02 -1.65 -0.14 0.00 1.00 0.00 0.00 64.86 64.05 3i01 h ILE 235 Cb 1.32 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3i01 h ILE 235 CO 0.10 0.48 -0.40 -0.09 0.00 0.00 0.00 178.15 178.25 3i01 h ARG 236 N 0.14 0.73 -0.78 2.37 2.43 -1.18 0.17 114.38 118.27 3i01 h ARG 236 Ca 0.01 -0.44 0.01 0.00 -0.81 0.00 0.00 59.98 58.75 3i01 h ARG 236 Cb 0.88 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 3i01 h ARG 236 CO 0.07 1.06 0.51 0.28 -1.51 0.00 0.00 179.97 180.38 3i01 h VAL 237 N 0.46 1.20 -0.54 0.20 2.07 -1.14 -0.60 116.25 117.90 3i01 h VAL 237 Ca 0.02 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 3i01 h VAL 237 Cb 0.99 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3i01 h VAL 237 CO 0.09 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.97 3i01 h ALA 238 N 1.28 0.72 0.00 1.67 0.00 -0.78 0.31 119.26 122.47 3i01 h ALA 238 Ca 0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 238 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i01 h ALA 238 CO -0.06 0.46 -0.22 -0.07 0.00 0.00 0.00 179.25 179.35 3i01 h LEU 239 N 0.79 0.00 -0.43 0.00 3.38 -0.77 -1.25 115.31 117.02 3i01 h LEU 239 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3i01 h LEU 239 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3i01 h LEU 239 CO 0.01 0.22 -0.50 0.00 0.09 0.00 0.00 178.44 178.26 3i01 h ALA 240 N 1.78 0.61 0.10 1.53 0.00 -0.60 -0.98 119.26 121.69 3i01 h ALA 240 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3i01 h ALA 240 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3i01 h ALA 240 CO 0.03 0.68 -0.29 0.22 0.00 0.00 0.00 179.25 179.89 3i01 h ASP 241 N 0.59 -0.87 -0.88 0.00 3.58 -0.38 -2.22 116.42 116.23 3i01 h ASP 241 Ca 0.02 0.09 0.11 0.00 0.42 0.00 0.00 57.03 57.67 3i01 h ASP 241 Cb 1.08 0.32 -0.13 0.00 1.72 0.00 0.00 39.33 42.32 3i01 h ASP 241 CO 0.11 -0.32 -0.43 0.00 -2.88 0.00 0.00 179.24 175.72 3i01 n TYR 242 N -4.12 -0.17 -0.25 0.28 9.36 -0.52 -0.86 117.16 120.89 3i01 n TYR 242 Ca -0.05 1.10 0.05 0.00 3.32 0.00 0.00 57.90 62.32 3i01 n TYR 242 Cb 0.23 -0.71 0.18 0.00 -0.63 0.00 0.00 39.34 38.41 3i01 n TYR 242 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 3i01 h THR 243 N 0.00 0.52 -0.48 2.97 2.02 -1.04 -0.24 112.91 116.66 3i01 h THR 243 Ca 0.23 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 67.20 3i01 h THR 243 Cb 0.45 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3i01 h THR 243 CO -0.85 0.05 -0.16 1.23 0.37 0.00 0.00 175.52 176.16 3i01 h GLY 244 N 0.27 1.01 0.99 2.16 0.00 -0.36 -1.29 103.07 105.85 3i01 h GLY 244 Ca 0.41 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i01 h GLY 244 CO -0.50 0.76 0.27 0.83 0.00 0.00 0.00 176.54 177.90 3i01 h GLU 245 N 0.82 0.60 -0.08 4.80 5.08 -0.63 -1.55 114.58 123.61 3i01 h GLU 245 Ca 0.12 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i01 h GLU 245 Cb 0.71 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3i01 h GLU 245 CO 0.05 0.43 0.04 1.25 -1.00 0.00 0.00 179.01 179.78 3i01 h HIS 246 N 0.59 0.13 -0.76 4.33 2.76 -0.92 -1.20 115.15 120.07 3i01 h HIS 246 Ca 0.16 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.48 3i01 h HIS 246 Cb -0.02 -0.04 -0.11 0.00 1.55 0.00 0.00 27.41 28.80 3i01 h HIS 246 CO -0.03 0.22 0.26 0.82 -1.30 0.00 0.00 177.93 177.89 3i01 h ILE 247 N -0.00 0.57 -0.24 6.26 2.04 -1.14 -2.11 117.51 122.88 3i01 h ILE 247 Ca 0.03 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 3i01 h ILE 247 Cb 0.14 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3i01 h ILE 247 CO -0.00 0.07 -0.09 0.00 0.00 0.00 0.00 178.15 178.12 3i01 h ALA 248 N 1.60 0.34 0.43 1.87 0.00 -0.95 -1.52 119.26 121.02 3i01 h ALA 248 Ca 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 248 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3i01 h ALA 248 CO -0.47 0.17 -0.34 1.15 0.00 0.00 0.00 179.25 179.76 3i01 h THR 249 N 0.22 0.30 -0.43 0.00 2.02 -1.20 -0.46 112.91 113.36 3i01 h THR 249 Ca 0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.33 3i01 h THR 249 Cb 0.57 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.20 3i01 h THR 249 CO 0.03 0.00 -0.14 0.44 0.37 0.00 0.00 175.52 176.22 3i01 h ASP 250 N -0.77 -0.49 0.23 4.18 3.32 -1.29 0.06 116.42 121.67 3i01 h ASP 250 Ca -0.04 0.14 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 3i01 h ASP 250 Cb 0.66 0.30 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3i01 h ASP 250 CO -0.01 -0.17 -0.72 -0.26 -1.72 0.00 0.00 179.24 176.36 3i01 h PHE 251 N -0.04 0.57 -0.64 4.55 -1.00 -1.30 -1.67 116.94 117.42 3i01 h PHE 251 Ca 0.21 -0.25 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 3i01 h PHE 251 Cb 0.36 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.80 3i01 h PHE 251 CO -0.40 1.01 0.16 0.77 -1.61 0.00 0.00 178.31 178.24 3i01 h SER 252 N 0.29 0.96 -0.40 2.17 0.02 -0.72 -1.30 113.55 114.58 3i01 h SER 252 Ca -0.03 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 3i01 h SER 252 Cb 1.29 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3i01 h SER 252 CO 0.13 0.94 -0.06 0.44 -1.14 0.00 0.00 176.83 177.14 3i01 h ASP 253 N 0.94 0.80 -0.37 3.07 5.19 -0.84 0.03 116.42 125.23 3i01 h ASP 253 Ca 0.20 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3i01 h ASP 253 Cb 0.35 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3i01 h ASP 253 CO 0.00 0.90 0.13 0.40 -3.12 0.00 0.00 179.24 177.55 3i01 h ILE 254 N 0.75 1.20 0.07 0.35 2.04 -1.00 0.94 117.51 121.86 3i01 h ILE 254 Ca 0.14 -0.63 -0.26 0.00 1.00 0.00 0.00 64.86 65.11 3i01 h ILE 254 Cb 0.53 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3i01 h ILE 254 CO 0.03 0.22 -1.10 -0.07 0.00 0.00 0.00 178.15 177.24 3i01 h LEU 255 N 0.46 0.57 -1.86 1.44 3.38 -1.17 -1.02 115.31 117.12 3i01 h LEU 255 Ca 0.12 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3i01 h LEU 255 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i01 h LEU 255 CO -0.01 1.34 0.00 0.49 0.09 0.00 0.00 178.44 180.36 3i01 n PHE 256 N -3.69 0.00 0.00 1.13 3.01 -0.01 -3.78 117.46 114.12 3i01 n PHE 256 Ca -0.09 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.15 3i01 n PHE 256 Cb 0.92 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 3i01 n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i01 n GLY 257 N -0.23 -0.89 3.71 1.37 0.00 0.32 -4.97 105.19 104.51 3i01 n GLY 257 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.03 3.77 0.49 2.61 2.01 -1.21 -4.55 115.64 116.72 3i01 s THR 258 Ca 0.00 1.28 -0.22 0.00 0.31 0.00 0.00 61.69 63.05 3i01 s THR 258 Cb 0.00 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 3i01 s THR 258 CO 0.00 0.10 0.98 -2.65 -0.69 0.00 0.00 174.62 172.36 3i01 n PRO 259 N 3.89 1.20 -4.16 4.92 -0.02 -1.26 -5.04 135.00 134.53 3i01 n PRO 259 Ca 0.10 0.44 -0.16 0.00 -2.02 0.00 0.00 63.50 61.85 3i01 n PRO 259 Cb 0.45 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.26 0.66 0.03 -0.52 -1.52 -1.07 -4.12 119.66 110.87 3i01 s GLN 260 Ca 0.67 -0.71 -0.39 0.00 -1.95 0.00 0.00 55.36 52.98 3i01 s GLN 260 Cb -0.50 -0.56 -0.19 0.00 -0.22 0.00 0.00 33.01 31.54 3i01 s GLN 260 CO 0.54 0.13 1.12 -2.30 -0.25 0.00 0.00 175.29 174.52 3i01 n PRO 261 N 1.74 0.30 -3.88 2.91 -0.02 -1.18 -4.43 135.00 130.46 3i01 n PRO 261 Ca -0.20 0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 3i01 n PRO 261 Cb 0.55 -1.63 -0.10 0.00 -0.02 0.00 0.00 33.50 32.31 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 0.08 0.09 -0.03 -1.45 0.11 -0.18 -4.96 120.40 114.08 3i01 s VAL 262 Ca 0.88 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 3i01 s VAL 262 Cb -1.17 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.08 3i01 s VAL 262 CO 0.54 -0.43 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.08 3i01 s VAL 263 N -1.72 3.30 0.00 2.04 1.01 -1.26 -1.82 120.40 121.95 3i01 s VAL 263 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3i01 s VAL 263 Cb -0.06 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3i01 s VAL 263 CO 0.00 0.50 0.00 -0.24 0.00 0.00 0.00 175.10 175.36 3i01 n SER 264 N 1.98 0.00 -3.78 3.32 2.88 0.06 -4.85 113.62 113.22 3i01 n SER 264 Ca -0.17 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.27 3i01 n SER 264 Cb 0.52 0.00 -0.07 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 1.52 0.87 0.01 -1.46 2.02 -1.26 -1.67 118.70 118.73 3i01 s GLU 265 Ca 0.00 -0.75 -0.17 0.00 0.02 0.00 0.00 54.97 54.06 3i01 s GLU 265 Cb 0.00 0.37 0.03 0.00 0.10 0.00 0.00 34.13 34.63 3i01 s GLU 265 CO 0.00 -0.29 0.37 0.00 0.02 0.00 0.00 175.26 175.36 3i01 s ALA 266 N -3.38 -0.92 0.00 5.21 0.00 -0.39 -2.35 121.76 119.92 3i01 s ALA 266 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3i01 s ALA 266 Cb 0.02 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3i01 s ALA 266 CO -0.09 -0.36 0.00 -1.71 0.00 0.00 0.00 175.76 173.61 3i01 n ASN 267 N 0.89 0.00 0.20 0.00 2.85 0.10 -0.40 115.26 118.90 3i01 n ASN 267 Ca -0.20 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.41 3i01 n ASN 267 Cb 0.58 0.00 0.48 0.00 1.24 0.00 0.00 39.78 42.08 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 -1.33 -2.59 114.93 115.08 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 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3i01 n GLY 269 N 0.46 -0.39 0.01 8.32 0.00 0.06 -1.09 105.19 112.56 3i01 n GLY 269 Ca 0.03 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.12 3i01 n GLY 269 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i01 n VAL 270 N -0.91 0.00 -2.83 1.61 0.24 -0.97 -4.83 118.33 110.63 3i01 n VAL 270 Ca 0.08 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.02 3i01 n VAL 270 Cb 0.04 -0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.86 4.16 -0.11 1.34 1.43 -0.25 -5.04 118.68 117.35 3i01 s LEU 271 Ca 0.18 1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 3i01 s LEU 271 Cb 0.19 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 42.23 3i01 s LEU 271 CO 0.53 -0.19 -0.04 -0.62 0.23 0.00 0.00 176.35 176.26 3i01 s ASP 272 N -1.88 2.09 0.51 2.29 2.15 -1.26 -5.04 116.67 115.53 3i01 s ASP 272 Ca 0.55 -0.30 0.20 0.00 0.43 0.00 0.00 52.55 53.43 3i01 s ASP 272 Cb -0.14 -0.69 1.28 0.00 -0.30 0.00 0.00 42.92 43.07 3i01 s ASP 272 CO 0.19 -0.16 2.03 -0.65 -0.17 0.00 0.00 175.17 176.40 3i01 h PRO 273 N 8.23 0.09 -0.56 4.34 0.11 -1.97 -2.25 132.00 140.00 3i01 h PRO 273 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3i01 h PRO 273 Cb 1.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3i01 h PRO 273 CO 0.35 0.06 0.00 -0.25 -0.21 0.00 0.00 178.00 177.95 3i01 n ASP 274 N -4.44 3.81 -4.82 -2.05 8.00 -1.26 -4.91 116.55 110.89 3i01 n ASP 274 Ca 0.07 -2.18 -0.22 0.00 0.71 0.00 0.00 54.79 53.17 3i01 n ASP 274 Cb 0.43 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 -1.33 2.53 -0.46 -1.24 -0.21 -0.85 -0.81 119.66 117.29 3i01 s GLN 275 Ca 0.41 -1.47 -0.28 0.00 0.02 0.00 0.00 55.36 54.03 3i01 s GLN 275 Cb 0.24 -2.33 0.00 0.00 1.00 0.00 0.00 33.01 31.92 3i01 s GLN 275 CO 0.24 0.00 1.56 0.08 -2.12 0.00 0.00 175.29 175.06 3i01 s VAL 276 N -2.41 3.70 -0.54 1.09 1.01 -0.25 -4.87 120.40 118.13 3i01 s VAL 276 Ca 0.42 0.65 -0.23 0.00 0.00 0.00 0.00 61.98 62.82 3i01 s VAL 276 Cb -0.03 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.29 3i01 s VAL 276 CO 0.25 -0.81 0.86 0.20 0.00 0.00 0.00 175.10 175.61 3i01 s ASN 277 N 5.13 6.31 -0.23 3.32 0.01 -1.26 0.67 114.94 128.88 3i01 s ASN 277 Ca 0.64 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 52.33 3i01 s ASN 277 Cb -0.15 -2.40 0.05 0.00 0.41 0.00 0.00 41.25 39.16 3i01 s ASN 277 CO 0.29 -1.14 -0.13 0.12 -1.51 0.00 0.00 177.10 174.74 3i01 s PHE 278 N 3.60 3.02 -0.23 2.20 5.36 -0.28 -1.33 117.98 130.32 3i01 s PHE 278 Ca 0.26 -2.05 -0.12 0.00 -0.96 0.00 0.00 56.93 54.07 3i01 s PHE 278 Cb -0.14 -1.89 -0.05 0.00 -0.34 0.00 0.00 43.02 40.60 3i01 s PHE 278 CO 0.17 -0.84 0.22 0.08 -1.46 0.00 0.00 175.22 173.40 3i01 s VAL 279 N 1.19 5.32 -0.25 3.12 1.01 0.85 -1.30 120.40 130.33 3i01 s VAL 279 Ca -0.04 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 3i01 s VAL 279 Cb -0.18 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3i01 s VAL 279 CO -0.08 0.32 0.41 -0.76 0.00 0.00 0.00 175.10 174.99 3i01 s LEU 280 N 1.09 4.07 0.01 3.92 1.43 0.17 -0.37 118.68 129.01 3i01 s LEU 280 Ca 0.11 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3i01 s LEU 280 Cb -0.14 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 3i01 s LEU 280 CO 0.05 -0.17 -0.02 -2.28 0.23 0.00 0.00 176.35 174.16 3i01 s HIS 281 N 1.92 0.16 -0.55 0.29 2.46 -1.00 -1.13 115.29 117.44 3i01 s HIS 281 Ca 0.17 -0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.41 3i01 s HIS 281 Cb -0.15 -0.11 0.00 0.00 -0.13 0.00 0.00 32.58 32.18 3i01 s HIS 281 CO 0.09 -0.10 0.00 0.41 -2.47 0.00 0.00 174.74 172.67 3i01 n GLY 282 N 2.26 0.25 0.00 1.59 0.00 -1.26 -3.22 105.19 104.81 3i01 n GLY 282 Ca -0.19 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.99 0.00 -3.14 1.61 8.25 -1.19 -1.69 115.22 120.06 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 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.82 6.44 0.00 0.41 3.04 -1.26 -4.08 114.94 117.67 3i01 s ASN 284 Ca 0.00 0.26 0.14 0.00 0.04 0.00 0.00 52.86 53.30 3i01 s ASN 284 Cb 0.00 -2.32 0.81 0.00 -1.54 0.00 0.00 41.25 38.21 3i01 s ASN 284 CO 0.00 -0.51 1.27 -0.81 -3.04 0.00 0.00 177.10 174.01 3i01 n PRO 285 N 5.90 0.40 0.30 0.43 -0.04 -1.26 -1.45 135.00 139.27 3i01 n PRO 285 Ca -0.02 0.02 0.18 0.00 -0.04 0.00 0.00 63.50 63.65 3i01 n PRO 285 Cb 0.49 -1.50 0.88 0.00 -0.04 0.00 0.00 33.50 33.32 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 0.00 0.00 1.53 3.38 -2.00 -1.96 115.31 116.27 3i01 h LEU 286 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i01 h LEU 286 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i01 h LEU 286 CO 0.00 0.03 -0.38 -0.11 0.09 0.00 0.00 178.44 178.06 3i01 n LEU 287 N -3.19 0.84 -0.18 1.67 7.94 -0.53 -4.38 117.00 119.18 3i01 n LEU 287 Ca -0.01 0.22 -0.02 0.00 -1.11 0.00 0.00 56.01 55.09 3i01 n LEU 287 Cb 0.22 -0.62 0.07 0.00 0.53 0.00 0.00 43.42 43.62 3i01 n LEU 287 CO 0.25 -0.42 0.99 0.77 -1.11 0.00 0.00 177.39 177.87 3i01 h SER 288 N -0.44 0.24 -0.92 1.96 4.64 -1.60 -1.26 113.55 116.17 3i01 h SER 288 Ca 0.00 0.06 0.22 0.00 -0.47 0.00 0.00 61.79 61.60 3i01 h SER 288 Cb 0.38 0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 3i01 h SER 288 CO 0.00 0.16 0.61 -0.33 -0.87 0.00 0.00 176.83 176.41 3i01 h GLU 289 N 0.41 0.35 0.20 4.77 4.39 -1.63 -0.63 114.58 122.44 3i01 h GLU 289 Ca 0.26 -0.02 -0.32 0.00 0.34 0.00 0.00 59.36 59.61 3i01 h GLU 289 Cb 0.26 -0.08 0.04 0.00 -0.10 0.00 0.00 28.75 28.87 3i01 h GLU 289 CO -0.24 0.23 -1.39 0.82 -1.16 0.00 0.00 179.01 177.27 3i01 h ILE 290 N 0.36 1.28 -0.95 3.13 1.08 -1.44 -2.91 117.51 118.06 3i01 h ILE 290 Ca 0.48 -2.60 0.09 0.00 -0.39 0.00 0.00 64.86 62.45 3i01 h ILE 290 Cb 1.28 2.90 -0.07 0.00 -3.07 0.00 0.00 36.82 37.86 3i01 h ILE 290 CO -0.17 0.78 0.61 0.40 -0.69 0.00 0.00 178.15 179.08 3i01 h ILE 291 N 0.21 0.99 -0.13 -0.67 1.08 -0.69 0.49 117.51 118.79 3i01 h ILE 291 Ca -0.23 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 3i01 h ILE 291 Cb 2.07 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 3i01 h ILE 291 CO 0.26 0.18 -0.00 0.58 -0.69 0.00 0.00 178.15 178.48 3i01 h VAL 292 N 0.99 0.91 0.63 1.67 2.07 -1.15 -0.25 116.25 121.12 3i01 h VAL 292 Ca 0.44 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.91 3i01 h VAL 292 Cb 0.37 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3i01 h VAL 292 CO -0.20 0.01 -0.30 -0.61 0.02 0.00 0.00 177.57 176.49 3i01 h GLN 293 N 0.04 -0.82 -0.99 1.57 5.75 -1.20 -3.07 115.11 116.39 3i01 h GLN 293 Ca 0.06 0.06 0.21 0.00 -0.15 0.00 0.00 58.65 58.82 3i01 h GLN 293 Cb 0.07 0.19 -0.10 0.00 1.07 0.00 0.00 27.48 28.71 3i01 h GLN 293 CO -0.10 -0.54 0.62 0.00 -2.65 0.00 0.00 178.83 176.16 3i01 h ALA 294 N -0.50 1.90 -0.23 3.38 0.00 0.09 -2.49 119.26 121.42 3i01 h ALA 294 Ca -0.09 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3i01 h ALA 294 Cb 0.66 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i01 h ALA 294 CO 0.14 -0.26 -0.25 0.00 0.00 0.00 0.00 179.25 178.88 3i01 h ALA 295 N 1.64 1.16 -0.39 0.00 0.00 -0.94 -2.59 119.26 118.13 3i01 h ALA 295 Ca 0.56 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3i01 h ALA 295 Cb 1.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3i01 h ALA 295 CO -0.33 0.54 0.25 0.00 0.00 0.00 0.00 179.25 179.71 3i01 h ARG 296 N 0.38 0.49 0.00 0.00 3.08 -1.44 -1.49 114.38 115.40 3i01 h ARG 296 Ca 0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i01 h ARG 296 Cb 0.64 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3i01 h ARG 296 CO 0.05 0.32 0.00 0.93 -1.07 0.00 0.00 179.97 180.20 3i01 h GLU 297 N 0.50 0.00 -0.09 0.04 5.08 -1.43 -3.13 114.58 115.55 3i01 h GLU 297 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3i01 h GLU 297 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3i01 h GLU 297 CO -0.04 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.64 3i01 n MET 298 N -2.31 1.88 -0.34 2.33 2.81 -0.74 -4.65 117.12 116.10 3i01 n MET 298 Ca -0.00 -1.41 0.20 0.00 -1.81 0.00 0.00 57.70 54.68 3i01 n MET 298 Cb 0.12 -1.10 0.44 0.00 -0.71 0.00 0.00 33.22 31.97 3i01 n MET 298 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i01 h GLU 299 N 0.82 0.48 -0.14 0.03 4.57 -1.25 -2.56 114.58 116.53 3i01 h GLU 299 Ca 0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3i01 h GLU 299 Cb 0.46 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3i01 h GLU 299 CO 0.00 0.32 -0.03 0.78 -1.18 0.00 0.00 179.01 178.90 3i01 h GLY 300 N 0.50 0.29 -0.08 1.92 0.00 -1.85 -2.56 103.07 101.28 3i01 h GLY 300 Ca 0.64 -0.24 0.21 0.00 0.00 0.00 0.00 47.33 47.94 3i01 h GLY 300 CO -0.42 0.22 0.49 0.83 0.00 0.00 0.00 176.54 177.66 3i01 h GLU 301 N -0.04 0.52 -0.04 4.80 5.08 -1.79 0.04 114.58 123.15 3i01 h GLU 301 Ca 0.04 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 3i01 h GLU 301 Cb 0.45 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3i01 h GLU 301 CO 0.01 0.34 -0.87 0.00 -1.00 0.00 0.00 179.01 177.50 3i01 h ALA 302 N 1.69 0.40 -0.15 3.43 0.00 -1.39 -2.76 119.26 120.48 3i01 h ALA 302 Ca 0.58 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 302 Cb 1.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3i01 h ALA 302 CO -0.47 0.77 -0.60 0.87 0.00 0.00 0.00 179.25 179.82 3i01 h LYS 303 N 0.30 0.50 0.00 0.00 1.57 -1.19 0.07 116.57 117.82 3i01 h LYS 303 Ca -0.07 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3i01 h LYS 303 Cb 1.49 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.85 3i01 h LYS 303 CO 0.16 0.95 0.00 0.00 -0.57 0.00 0.00 179.45 179.99 3i01 h ALA 304 N 0.97 1.00 -0.50 3.86 0.00 -0.86 -2.44 119.26 121.29 3i01 h ALA 304 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 304 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3i01 h ALA 304 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3i01 n ALA 305 N -1.99 2.42 0.00 0.00 0.00 -1.05 -4.97 120.51 114.92 3i01 n ALA 305 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.07 3i01 n ALA 305 Cb 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.85 0.51 3.83 0.00 0.00 -0.92 -4.70 105.19 104.77 3i01 n GLY 306 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 3.63 -0.13 4.61 0.00 -0.01 -4.97 121.76 122.89 3i01 s ALA 307 Ca 0.00 -0.09 0.22 0.00 0.00 0.00 0.00 51.96 52.09 3i01 s ALA 307 Cb 0.00 -2.52 1.22 0.00 0.00 0.00 0.00 23.12 21.82 3i01 s ALA 307 CO 0.00 0.44 1.68 0.87 0.00 0.00 0.00 175.76 178.75 3i01 h LYS 308 N 4.40 0.00 0.00 0.00 1.57 -1.25 -3.27 116.57 118.01 3i01 h LYS 308 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3i01 h LYS 308 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3i01 h LYS 308 CO 0.63 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 3i01 n GLY 309 N -1.28 0.21 3.61 3.86 0.00 -1.26 -4.98 105.19 105.35 3i01 n GLY 309 Ca -0.01 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.92 4.80 -0.86 -0.61 1.01 -1.26 -1.09 121.20 121.27 3i01 s ILE 310 Ca 0.00 1.12 -0.14 0.00 0.00 0.00 0.00 60.65 61.63 3i01 s ILE 310 Cb 0.00 -4.14 0.23 0.00 0.01 0.00 0.00 42.46 38.55 3i01 s ILE 310 CO 0.00 -0.26 0.81 0.21 0.00 0.00 0.00 174.94 175.69 3i01 s ASN 311 N 1.65 6.83 -0.00 3.58 2.47 0.21 -4.91 114.94 124.76 3i01 s ASN 311 Ca 0.32 -2.79 -0.30 0.00 0.42 0.00 0.00 52.86 50.51 3i01 s ASN 311 Cb -0.14 -2.21 -0.05 0.00 -1.45 0.00 0.00 41.25 37.40 3i01 s ASN 311 CO 0.13 -0.54 1.23 -0.76 -3.72 0.00 0.00 177.10 173.44 3i01 s LEU 312 N 0.02 4.32 0.17 3.21 1.43 -1.26 -1.13 118.68 125.44 3i01 s LEU 312 Ca 0.19 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.25 3i01 s LEU 312 Cb -0.10 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 3i01 s LEU 312 CO -0.09 -0.56 0.01 0.68 0.23 0.00 0.00 176.35 176.62 3i01 s VAL 313 N 1.80 0.61 0.30 -1.59 -7.23 -0.42 -4.40 120.40 109.47 3i01 s VAL 313 Ca 0.58 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 3i01 s VAL 313 Cb -0.28 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 3i01 s VAL 313 CO 0.25 -0.45 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.67 3i01 s GLY 314 N -3.17 1.94 0.01 2.32 0.00 -0.51 -0.65 107.32 107.26 3i01 s GLY 314 Ca 0.25 -1.95 0.02 0.00 0.00 0.00 0.00 44.72 43.04 3i01 s GLY 314 CO 0.04 -1.92 -0.08 -0.42 0.00 0.00 0.00 173.10 170.73 3i01 s ILE 315 N -2.81 0.60 0.00 0.90 1.01 -0.28 -1.62 121.20 119.00 3i01 s ILE 315 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3i01 s ILE 315 Cb 0.02 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.95 3i01 s ILE 315 CO 0.14 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.14 3i01 h THR 318 N 0.56 1.22 -0.30 0.00 1.03 -1.47 0.33 112.91 114.27 3i01 h THR 318 Ca 0.06 -0.48 -0.02 0.00 -0.01 0.00 0.00 66.41 65.96 3i01 h THR 318 Cb 0.87 0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 68.03 3i01 h THR 318 CO 0.08 0.23 0.11 1.23 -0.01 0.00 0.00 175.52 177.16 3i01 h GLY 319 N 1.12 0.44 0.66 2.99 0.00 -0.67 -1.94 103.07 105.68 3i01 h GLY 319 Ca 0.29 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 3i01 h GLY 319 CO -0.05 0.19 -0.20 3.43 0.00 0.00 0.00 176.54 179.91 3i01 h ASN 320 N 0.42 0.33 -0.37 0.19 2.35 0.16 -2.35 115.58 116.30 3i01 h ASN 320 Ca 0.10 -0.58 0.08 0.00 -0.55 0.00 0.00 56.30 55.36 3i01 h ASN 320 Cb 0.10 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 3i01 h ASN 320 CO -0.01 0.84 -0.18 -0.33 -1.65 0.00 0.00 177.43 176.10 3i01 h GLU 321 N -0.17 -0.12 0.00 0.81 4.39 0.10 0.22 114.58 119.81 3i01 h GLU 321 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3i01 h GLU 321 Cb 0.80 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3i01 h GLU 321 CO 0.04 -0.08 0.00 1.33 -1.16 0.00 0.00 179.01 179.15 3i01 n VAL 322 N -5.36 0.59 0.00 3.13 0.24 -0.78 -1.70 118.33 114.46 3i01 n VAL 322 Ca 0.02 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 3i01 n VAL 322 Cb 0.27 -0.65 -0.10 0.00 -1.47 0.00 0.00 33.84 31.90 3i01 n VAL 322 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3i01 h LEU 323 N 0.00 -0.06 -1.15 1.34 5.85 -0.86 0.13 115.31 120.57 3i01 h LEU 323 Ca 0.00 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.24 3i01 h LEU 323 Cb 0.68 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3i01 h LEU 323 CO 0.00 0.50 0.58 0.24 -0.34 0.00 0.00 178.44 179.42 3i01 h MET 324 N -0.64 1.08 0.00 1.25 2.86 -0.65 -2.68 114.93 116.16 3i01 h MET 324 Ca -0.01 -0.07 -0.28 0.00 -2.06 0.00 0.00 59.70 57.29 3i01 h MET 324 Cb 0.56 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 3i01 h MET 324 CO 0.01 0.72 -2.05 0.54 1.06 0.00 0.00 176.91 177.19 3i01 n ARG 325 N -4.44 1.25 0.00 1.72 1.74 -0.69 -4.16 116.66 112.09 3i01 n ARG 325 Ca 0.11 0.02 0.02 0.00 -0.77 0.00 0.00 57.85 57.24 3i01 n ARG 325 Cb 0.09 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.70 2.84 -0.96 5.56 1.13 -0.05 -4.99 117.38 118.21 3i01 n GLN 326 Ca -0.27 -0.38 0.00 0.00 -1.94 0.00 0.00 57.00 54.41 3i01 n GLN 326 Cb 0.96 -0.90 0.00 0.00 0.11 0.00 0.00 30.24 30.41 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 0.75 0.32 3.74 1.08 0.00 -0.70 -4.95 105.19 105.42 3i01 n GLY 327 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.74 2.12 0.60 -0.61 -1.09 -0.73 -4.66 121.20 115.10 3i01 s ILE 328 Ca 0.00 0.10 -0.08 0.00 -2.23 0.00 0.00 60.65 58.44 3i01 s ILE 328 Cb 0.00 -3.06 -0.01 0.00 -1.58 0.00 0.00 42.46 37.81 3i01 s ILE 328 CO 0.00 0.01 0.95 -2.16 -1.23 0.00 0.00 174.94 172.51 3i01 s PRO 329 N 0.20 3.17 -0.19 2.79 0.04 -1.26 -3.88 135.00 135.87 3i01 s PRO 329 Ca 0.67 0.31 -0.09 0.00 0.04 0.00 0.00 61.00 61.94 3i01 s PRO 329 Cb -0.48 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 3i01 s PRO 329 CO 0.41 -0.65 0.10 -0.51 0.04 0.00 0.00 177.00 176.38 3i01 s LEU 330 N -5.07 4.01 -0.09 -3.56 1.43 -0.99 -1.42 118.68 112.99 3i01 s LEU 330 Ca 0.54 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.66 3i01 s LEU 330 Cb -0.11 -2.03 -0.11 0.00 0.03 0.00 0.00 46.19 43.98 3i01 s LEU 330 CO 0.49 0.18 0.46 -0.37 0.23 0.00 0.00 176.35 177.33 3i01 h VAL 331 N 4.76 0.63 -3.43 -1.59 -1.51 -1.49 0.29 116.25 113.91 3i01 h VAL 331 Ca -0.39 -1.31 -0.08 0.00 -1.23 0.00 0.00 66.70 63.69 3i01 h VAL 331 Cb 1.16 1.15 -0.05 0.00 -2.13 0.00 0.00 31.29 31.42 3i01 h VAL 331 CO 0.73 0.20 0.07 0.28 -1.23 0.00 0.00 177.57 177.62 3i01 s THR 332 N -2.35 0.00 0.30 7.19 -1.32 -1.25 -2.55 115.64 115.66 3i01 s THR 332 Ca -0.08 -1.24 0.03 0.00 -1.21 0.00 0.00 61.69 59.18 3i01 s THR 332 Cb -0.01 -2.55 0.03 0.00 -1.51 0.00 0.00 72.50 68.46 3i01 s THR 332 CO 0.30 0.00 0.21 -1.54 -2.21 0.00 0.00 174.62 171.38 3i01 n SER 333 N -1.06 2.00 -0.10 8.08 3.41 -1.26 -3.96 113.62 120.72 3i01 n SER 333 Ca -0.04 -2.04 -0.10 0.00 -0.26 0.00 0.00 58.87 56.43 3i01 n SER 333 Cb 0.61 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.62 -1.16 0.00 7.33 3.57 -1.95 -2.70 116.94 122.65 3i01 h PHE 334 Ca -0.19 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3i01 h PHE 334 Cb 0.69 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3i01 h PHE 334 CO 0.00 -0.43 0.00 0.00 -2.23 0.00 0.00 178.31 175.65 3i01 h ALA 335 N 0.44 1.00 -0.50 2.41 0.00 -1.97 -3.13 119.26 117.51 3i01 h ALA 335 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i01 h ALA 335 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i01 h ALA 335 CO -0.53 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.59 3i01 n SER 336 N -3.06 3.74 0.30 0.00 3.41 -1.03 -4.65 113.62 112.34 3i01 n SER 336 Ca 0.01 -2.24 0.17 0.00 -0.26 0.00 0.00 58.87 56.55 3i01 n SER 336 Cb 0.34 -0.42 0.97 0.00 -0.26 0.00 0.00 64.21 64.84 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 3.03 0.00 0.19 4.33 3.07 -1.48 -2.13 115.11 122.11 3i01 h GLN 337 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.45 3i01 h GLN 337 Cb 1.06 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.65 3i01 h GLN 337 CO 0.09 0.02 -1.25 0.93 0.09 0.00 0.00 178.83 178.70 3i01 h GLU 338 N 0.00 0.52 -1.00 0.06 5.08 -1.88 -3.32 114.58 114.04 3i01 h GLU 338 Ca -0.00 -0.81 0.09 0.00 -1.00 0.00 0.00 59.36 57.64 3i01 h GLU 338 Cb 0.07 0.29 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 3i01 h GLU 338 CO 0.00 1.38 0.64 -0.07 -1.00 0.00 0.00 179.01 179.96 3i01 h LEU 339 N 0.08 1.00 -1.29 1.33 3.38 -1.73 0.90 115.31 118.97 3i01 h LEU 339 Ca -0.21 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.06 3i01 h LEU 339 Cb 1.96 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 42.42 3i01 h LEU 339 CO 0.24 0.60 0.66 0.00 0.09 0.00 0.00 178.44 180.03 3i01 h ALA 340 N 1.49 2.16 0.00 1.53 0.00 -1.62 -0.87 119.26 121.96 3i01 h ALA 340 Ca 0.46 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.28 3i01 h ALA 340 Cb 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3i01 h ALA 340 CO -0.20 -0.60 -0.78 0.82 0.00 0.00 0.00 179.25 178.48 3i01 h ILE 341 N 0.41 1.55 0.00 0.00 2.04 -0.97 -2.89 117.51 117.66 3i01 h ILE 341 Ca 0.62 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.79 3i01 h ILE 341 Cb 1.51 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 3i01 h ILE 341 CO -0.35 0.77 0.00 0.00 0.00 0.00 0.00 178.15 178.57 3i01 n THR 343 N -1.42 0.95 -0.62 0.00 -2.24 -1.09 -4.78 114.28 105.07 3i01 n THR 343 Ca 0.07 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 3i01 n THR 343 Cb 0.21 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 3i01 n THR 343 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i01 n GLY 344 N -0.73 1.19 0.49 3.38 0.00 -0.97 -1.54 105.19 107.01 3i01 n GLY 344 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.78 3.42 -2.64 4.61 0.00 -1.26 -4.81 120.51 120.60 3i01 n ALA 345 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 3i01 n ALA 345 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.32 4.87 -0.08 0.00 -1.09 -1.26 -4.40 121.20 116.92 3i01 s ILE 346 Ca 0.18 1.48 -0.07 0.00 -2.23 0.00 0.00 60.65 60.01 3i01 s ILE 346 Cb 0.17 -4.08 -0.28 0.00 -1.58 0.00 0.00 42.46 36.70 3i01 s ILE 346 CO 0.52 -0.04 0.53 0.44 -1.23 0.00 0.00 174.94 175.16 3i01 h ASP 347 N 7.69 0.45 -4.20 3.58 3.32 -1.54 -3.37 116.42 122.35 3i01 h ASP 347 Ca -0.24 -0.85 -0.14 0.00 0.02 0.00 0.00 57.03 55.82 3i01 h ASP 347 Cb 1.10 -0.15 -0.23 0.00 0.22 0.00 0.00 39.33 40.27 3i01 h ASP 347 CO 0.85 1.75 -0.31 0.00 -1.72 0.00 0.00 179.24 179.80 3i01 s ALA 348 N -2.57 -0.80 -0.21 3.45 0.00 -1.12 -1.82 121.76 118.68 3i01 s ALA 348 Ca -0.18 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3i01 s ALA 348 Cb 0.06 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.88 3i01 s ALA 348 CO 0.81 -0.19 -0.05 1.41 0.00 0.00 0.00 175.76 177.74 3i01 s MET 349 N -0.28 1.55 -0.19 0.00 1.75 -0.52 -0.11 119.30 121.50 3i01 s MET 349 Ca -0.04 -0.81 -0.05 0.00 -1.25 0.00 0.00 55.69 53.54 3i01 s MET 349 Cb -0.03 -2.39 -0.03 0.00 2.84 0.00 0.00 34.83 35.22 3i01 s MET 349 CO 0.02 -0.54 -0.01 0.00 -0.65 0.00 0.00 175.02 173.84 3i01 s VAL 351 N 0.83 2.20 0.00 0.00 -7.23 0.21 -2.37 120.40 114.05 3i01 s VAL 351 Ca 0.00 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3i01 s VAL 351 Cb -0.14 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.88 3i01 s VAL 351 CO 0.02 0.21 0.00 -0.90 -0.31 0.00 0.00 175.10 174.12 3i01 n ASP 352 N 1.30 0.00 -4.08 4.85 5.68 -1.20 -2.13 116.55 120.97 3i01 n ASP 352 Ca -0.18 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 53.93 3i01 n ASP 352 Cb 0.53 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.33 0.88 0.00 2.12 -7.23 -1.26 -4.54 120.40 110.70 3i01 s VAL 353 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 3i01 s VAL 353 Cb 0.00 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.15 3i01 s VAL 353 CO 0.00 0.05 0.00 0.00 -0.31 0.00 0.00 175.10 174.84 3i01 n GLN 354 N 2.26 0.00 -1.57 4.82 6.02 -1.26 -3.15 117.38 124.50 3i01 n GLN 354 Ca -0.17 0.07 -0.16 0.00 -0.01 0.00 0.00 57.00 56.74 3i01 n GLN 354 Cb 0.56 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.76 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 -2.61 5.09 -0.20 0.00 1.01 -1.26 -4.96 121.20 118.26 3i01 s ILE 356 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3i01 s ILE 356 Cb 0.00 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 3i01 s ILE 356 CO 0.00 -0.27 1.15 -0.04 0.00 0.00 0.00 174.94 175.78 3i01 s MET 357 N 2.19 4.23 0.00 2.79 -1.94 -1.26 -4.89 119.30 120.42 3i01 s MET 357 Ca 0.14 1.50 0.31 0.00 -1.71 0.00 0.00 55.69 55.92 3i01 s MET 357 Cb -0.16 -3.71 1.63 0.00 2.01 0.00 0.00 34.83 34.60 3i01 s MET 357 CO 0.13 -0.68 2.10 -0.35 -0.01 0.00 0.00 175.02 176.20 3i01 n PRO 358 N 6.50 0.67 0.00 2.03 -0.04 -1.26 -2.15 135.00 140.74 3i01 n PRO 358 Ca 0.13 -0.03 0.03 0.00 -0.04 0.00 0.00 63.50 63.59 3i01 n PRO 358 Cb 0.45 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.14 0.00 0.24 3.54 3.41 -1.26 -2.63 113.62 115.79 3i01 n SER 359 Ca 0.18 0.22 0.09 0.00 -0.26 0.00 0.00 58.87 59.09 3i01 n SER 359 Cb 0.20 -0.30 0.62 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.91 0.00 -1.33 3.07 -1.84 -1.04 117.51 117.28 3i01 h ILE 360 Ca 0.00 -0.49 -0.13 0.00 1.55 0.00 0.00 64.86 65.78 3i01 h ILE 360 Cb 0.06 1.28 -0.02 0.00 -0.27 0.00 0.00 36.82 37.88 3i01 h ILE 360 CO 0.00 0.13 -0.62 0.77 -1.05 0.00 0.00 178.15 177.38 3i01 h SER 361 N 0.00 0.00 0.27 2.16 4.64 -1.79 0.47 113.55 119.30 3i01 h SER 361 Ca -0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3i01 h SER 361 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3i01 h SER 361 CO 0.02 0.62 -0.72 0.00 -0.87 0.00 0.00 176.83 175.88 3i01 h ALA 362 N 1.38 0.61 0.10 5.18 0.00 -1.45 -3.06 119.26 122.01 3i01 h ALA 362 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 3i01 h ALA 362 Cb 1.10 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.85 3i01 h ALA 362 CO 0.08 0.76 -0.76 0.28 0.00 0.00 0.00 179.25 179.62 3i01 h VAL 363 N 0.27 1.48 -0.48 0.00 2.07 -1.06 -3.09 116.25 115.44 3i01 h VAL 363 Ca -0.03 -2.38 0.14 0.00 0.82 0.00 0.00 66.70 65.25 3i01 h VAL 363 Cb 1.29 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 34.04 3i01 h VAL 363 CO 0.12 0.68 0.42 0.00 0.02 0.00 0.00 177.57 178.82 3i01 h ALA 364 N 0.17 2.29 -0.32 1.67 0.00 -0.93 -2.07 119.26 120.06 3i01 h ALA 364 Ca -0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 364 Cb 1.54 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3i01 h ALA 364 CO 0.14 -0.67 -0.31 1.49 0.00 0.00 0.00 179.25 179.90 3i01 h GLU 365 N 0.00 0.69 -0.75 0.00 4.81 -1.44 -2.53 114.58 115.36 3i01 h GLU 365 Ca 0.23 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3i01 h GLU 365 Cb 1.07 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3i01 h GLU 365 CO -0.00 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.19 3i01 n TYR 367 N 0.11 0.00 -0.22 0.00 4.02 -0.96 -5.08 117.16 115.04 3i01 n TYR 367 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 3i01 n TYR 367 Cb 0.19 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.37 -2.46 -0.72 8.25 -1.24 -5.01 115.22 114.41 3i01 n HIS 368 Ca 0.00 -0.54 -0.41 0.00 -0.26 0.00 0.00 57.72 56.50 3i01 n HIS 368 Cb 0.00 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.19 3.89 -0.10 1.59 2.01 -1.21 -4.90 115.64 115.74 3i01 s THR 369 Ca 0.19 1.51 -0.23 0.00 0.31 0.00 0.00 61.69 63.47 3i01 s THR 369 Cb 0.11 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3i01 s THR 369 CO 0.11 0.20 0.71 -0.13 -0.69 0.00 0.00 174.62 174.82 3i01 s ARG 370 N 0.19 4.39 -0.19 4.92 1.81 -0.76 -4.75 118.95 124.56 3i01 s ARG 370 Ca 0.53 0.87 -0.08 0.00 -1.72 0.00 0.00 55.73 55.34 3i01 s ARG 370 Cb -0.30 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.68 3i01 s ARG 370 CO 0.33 -0.03 0.07 0.42 -0.68 0.00 0.00 175.30 175.41 3i01 s ILE 371 N 1.15 4.84 -0.18 1.52 -1.09 -1.26 -1.44 121.20 124.74 3i01 s ILE 371 Ca 0.37 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.78 3i01 s ILE 371 Cb -0.17 -3.19 0.03 0.00 -1.58 0.00 0.00 42.46 37.55 3i01 s ILE 371 CO 0.16 0.45 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.53 3i01 s ILE 372 N 0.43 1.87 0.29 2.92 1.01 -0.40 -1.43 121.20 125.89 3i01 s ILE 372 Ca 0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 3i01 s ILE 372 Cb -0.12 -1.77 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 3i01 s ILE 372 CO 0.00 0.40 0.67 0.42 0.00 0.00 0.00 174.94 176.43 3i01 s THR 373 N 1.34 4.77 0.00 2.92 -4.23 0.17 0.67 115.64 121.28 3i01 s THR 373 Ca 0.03 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 3i01 s THR 373 Cb -0.14 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.08 3i01 s THR 373 CO -0.11 -0.14 0.00 0.35 -0.54 0.00 0.00 174.62 174.18 3i01 n THR 374 N -0.27 0.00 -3.99 3.99 -2.24 -0.90 -0.44 114.28 110.43 3i01 n THR 374 Ca 0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.45 3i01 n THR 374 Cb 0.53 0.06 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.24 3.49 -0.89 6.98 0.00 -1.26 -2.25 121.76 126.60 3i01 s ALA 375 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.32 3i01 s ALA 375 Cb 0.00 -1.92 0.42 0.00 0.00 0.00 0.00 23.12 21.62 3i01 s ALA 375 CO 0.00 0.27 1.29 -0.40 0.00 0.00 0.00 175.76 176.93 3i01 n ASP 376 N 3.19 0.10 -0.60 0.00 5.68 -1.26 -1.87 116.55 121.80 3i01 n ASP 376 Ca -0.17 0.54 0.06 0.00 -0.50 0.00 0.00 54.79 54.72 3i01 n ASP 376 Cb 0.53 -0.55 0.17 0.00 -1.14 0.00 0.00 41.12 40.12 3i01 n ASP 376 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3i01 n ASN 377 N -1.63 3.09 -3.29 -1.12 0.23 -1.26 -4.87 115.26 106.41 3i01 n ASN 377 Ca 0.01 -2.43 -0.09 0.00 -0.53 0.00 0.00 54.58 51.55 3i01 n ASN 377 Cb 0.09 -0.33 -0.05 0.00 -2.08 0.00 0.00 39.78 37.41 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 -1.77 -1.28 0.07 -2.53 0.00 -0.78 -5.05 121.76 110.43 3i01 s ALA 378 Ca 0.27 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.18 3i01 s ALA 378 Cb 0.19 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 3i01 s ALA 378 CO 0.10 -1.99 -0.22 0.15 0.00 0.00 0.00 175.76 173.80 3i01 s LYS 379 N 2.03 1.80 -0.16 0.00 1.02 -1.26 -4.41 119.74 118.76 3i01 s LYS 379 Ca 0.14 -1.13 -0.00 0.00 0.02 0.00 0.00 55.97 54.99 3i01 s LYS 379 Cb -0.11 -2.05 0.04 0.00 -0.52 0.00 0.00 37.83 35.18 3i01 s LYS 379 CO -0.16 0.50 -0.06 0.42 -0.92 0.00 0.00 175.35 175.13 3i01 s ILE 380 N -0.96 1.14 0.55 2.17 1.01 -1.26 -5.11 121.20 118.74 3i01 s ILE 380 Ca 0.14 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 3i01 s ILE 380 Cb -0.10 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 3i01 s ILE 380 CO 0.05 0.17 1.37 -2.84 0.00 0.00 0.00 174.94 173.70 3i01 s PRO 381 N 1.63 3.14 0.00 2.79 0.02 -1.26 -1.78 135.00 139.53 3i01 s PRO 381 Ca 0.01 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3i01 s PRO 381 Cb -0.15 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.10 3i01 s PRO 381 CO -0.08 -1.20 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 3i01 n GLY 382 N 0.73 0.83 3.32 0.52 0.00 -1.26 -4.91 105.19 104.42 3i01 n GLY 382 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.24 2.10 0.45 4.61 0.00 -0.74 -4.91 121.76 120.03 3i01 s ALA 383 Ca 0.00 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 3i01 s ALA 383 Cb 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 23.12 22.64 3i01 s ALA 383 CO 0.00 0.48 1.20 0.71 0.00 0.00 0.00 175.76 178.15 3i01 s TYR 384 N -0.88 2.86 -0.08 0.00 2.02 -0.51 -4.82 117.35 115.93 3i01 s TYR 384 Ca 0.11 1.51 0.03 0.00 -0.37 0.00 0.00 57.07 58.35 3i01 s TYR 384 Cb -0.10 -3.46 0.00 0.00 -0.40 0.00 0.00 41.96 38.01 3i01 s TYR 384 CO 0.03 -1.66 -0.20 -1.58 -1.57 0.00 0.00 175.55 170.57 3i01 s HIS 385 N -1.46 2.13 -0.16 2.71 5.65 -1.26 -0.66 115.29 122.24 3i01 s HIS 385 Ca 0.62 -0.84 -0.04 0.00 0.25 0.00 0.00 55.06 55.05 3i01 s HIS 385 Cb -0.31 -1.46 -0.03 0.00 -1.18 0.00 0.00 32.58 29.60 3i01 s HIS 385 CO 0.38 -0.35 -0.03 0.42 -0.65 0.00 0.00 174.74 174.51 3i01 s ILE 386 N 0.43 3.92 -1.23 0.89 1.01 0.41 -4.98 121.20 121.65 3i01 s ILE 386 Ca -0.16 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 3i01 s ILE 386 Cb -0.17 -2.73 0.09 0.00 0.01 0.00 0.00 42.46 39.66 3i01 s ILE 386 CO 0.07 0.48 1.62 -0.62 0.00 0.00 0.00 174.94 176.49 3i01 s ASP 387 N 0.46 6.84 -0.34 3.58 2.15 -1.26 -3.93 116.67 124.16 3i01 s ASP 387 Ca -0.03 -2.42 -0.29 0.00 0.43 0.00 0.00 52.55 50.24 3i01 s ASP 387 Cb -0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3i01 s ASP 387 CO 0.03 -1.13 1.38 -0.47 -0.17 0.00 0.00 175.17 174.81 3i01 s TYR 388 N 3.75 2.51 0.09 -5.34 5.04 -0.96 -5.03 117.35 117.42 3i01 s TYR 388 Ca 0.50 0.76 0.06 0.00 -2.44 0.00 0.00 57.07 55.95 3i01 s TYR 388 Cb 0.02 -4.09 -0.04 0.00 0.35 0.00 0.00 41.96 38.20 3i01 s TYR 388 CO 0.04 -1.94 -0.09 -0.65 -1.34 0.00 0.00 175.55 171.57 3i01 s GLN 389 N 4.54 2.21 0.24 4.97 -1.52 -1.26 -4.91 119.66 123.93 3i01 s GLN 389 Ca 0.60 -0.98 -0.07 0.00 -1.95 0.00 0.00 55.36 52.96 3i01 s GLN 389 Cb -0.16 -2.35 0.27 0.00 -0.22 0.00 0.00 33.01 30.55 3i01 s GLN 389 CO 0.28 0.52 1.89 1.79 -0.25 0.00 0.00 175.29 179.51 3i01 h THR 390 N 3.25 1.15 -0.09 -0.19 1.35 -1.95 -1.60 112.91 114.83 3i01 h THR 390 Ca -0.49 -0.39 0.03 0.00 -0.55 0.00 0.00 66.41 65.01 3i01 h THR 390 Cb 1.17 -0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3i01 h THR 390 CO 0.53 0.21 0.24 0.00 -0.25 0.00 0.00 175.52 176.25 3i01 h ALA 391 N 1.36 1.46 -0.19 6.62 0.00 -1.95 -2.66 119.26 123.90 3i01 h ALA 391 Ca 0.35 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 391 Cb -0.01 0.01 -0.37 0.00 0.00 0.00 0.00 17.79 17.42 3i01 h ALA 391 CO -0.11 -0.29 -1.02 0.25 0.00 0.00 0.00 179.25 178.08 3i01 n THR 392 N -3.24 0.75 -0.34 0.00 -2.24 -0.95 -4.73 114.28 103.53 3i01 n THR 392 Ca -0.00 -2.02 0.05 0.00 -2.27 0.00 0.00 64.05 59.80 3i01 n THR 392 Cb 0.33 0.91 0.20 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.63 1.37 -0.18 6.98 0.00 -0.93 -3.03 119.26 125.10 3i01 h ALA 393 Ca -0.15 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3i01 h ALA 393 Cb 1.59 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 3i01 h ALA 393 CO 0.16 0.23 -0.18 0.97 0.00 0.00 0.00 179.25 180.42 3i01 h ILE 394 N 0.96 1.34 0.00 0.00 6.09 -1.87 -1.66 117.51 122.36 3i01 h ILE 394 Ca 0.45 -1.34 0.00 0.00 -1.37 0.00 0.00 64.86 62.60 3i01 h ILE 394 Cb 0.38 1.81 0.00 0.00 0.47 0.00 0.00 36.82 39.47 3i01 h ILE 394 CO -0.24 0.40 0.00 1.05 -3.07 0.00 0.00 178.15 176.29 3i01 h GLU 395 N 0.09 0.00 0.17 2.19 4.11 -1.95 0.50 114.58 119.68 3i01 h GLU 395 Ca 0.03 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.12 3i01 h GLU 395 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3i01 h GLU 395 CO 0.04 0.00 -1.73 0.77 0.07 0.00 0.00 179.01 178.17 3i01 h SER 396 N 0.00 0.55 -0.40 3.06 0.02 -1.50 -3.11 113.55 112.17 3i01 h SER 396 Ca 0.00 -0.84 -0.08 0.00 -0.84 0.00 0.00 61.79 60.03 3i01 h SER 396 Cb 0.25 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3i01 h SER 396 CO 0.00 1.71 -0.04 0.00 -1.14 0.00 0.00 176.83 177.36 3i01 h ALA 397 N 0.21 1.04 0.08 3.77 0.00 -0.68 -0.25 119.26 123.43 3i01 h ALA 397 Ca -0.33 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 3i01 h ALA 397 Cb 2.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3i01 h ALA 397 CO 0.17 0.59 -0.04 0.87 0.00 0.00 0.00 179.25 180.84 3i01 h LYS 398 N 0.75 -0.11 -0.46 0.00 1.57 -1.05 -0.76 116.57 116.52 3i01 h LYS 398 Ca 0.14 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.01 3i01 h LYS 398 Cb 0.52 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.75 3i01 h LYS 398 CO 0.03 0.06 -0.32 1.15 -0.57 0.00 0.00 179.45 179.79 3i01 h THR 399 N -0.25 0.22 -0.32 -0.16 2.02 -1.52 0.11 112.91 113.01 3i01 h THR 399 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 3i01 h THR 399 Cb 0.21 0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 66.76 3i01 h THR 399 CO 0.02 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 175.59 3i01 h ALA 400 N 0.85 -0.22 0.10 6.16 0.00 -0.74 -0.78 119.26 124.63 3i01 h ALA 400 Ca 0.19 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3i01 h ALA 400 Cb 0.54 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3i01 h ALA 400 CO -0.58 -0.74 -0.23 0.82 0.00 0.00 0.00 179.25 178.53 3i01 h ILE 401 N -0.29 0.49 -1.01 0.00 2.04 -0.57 -2.11 117.51 116.06 3i01 h ILE 401 Ca 0.15 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.26 3i01 h ILE 401 Cb 0.53 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 3i01 h ILE 401 CO -0.48 0.00 0.65 0.03 0.00 0.00 0.00 178.15 178.35 3i01 h ARG 402 N -0.41 0.45 -0.13 2.37 3.08 -0.49 0.33 114.38 119.58 3i01 h ARG 402 Ca 0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3i01 h ARG 402 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3i01 h ARG 402 CO -0.14 0.30 -0.29 0.52 -1.07 0.00 0.00 179.97 179.28 3i01 h MET 403 N 0.46 0.25 -0.09 0.04 2.86 -0.49 0.26 114.93 118.22 3i01 h MET 403 Ca 0.58 -0.09 -0.19 0.00 -2.06 0.00 0.00 59.70 57.94 3i01 h MET 403 Cb 1.35 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 3i01 h MET 403 CO -0.30 0.52 -0.73 0.00 1.06 0.00 0.00 176.91 177.46 3i01 h ALA 404 N 1.48 0.56 0.64 6.32 0.00 -0.08 -2.46 119.26 125.72 3i01 h ALA 404 Ca 0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3i01 h ALA 404 Cb 0.63 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3i01 h ALA 404 CO 0.05 0.75 -0.31 0.82 0.00 0.00 0.00 179.25 180.56 3i01 h ILE 405 N 0.32 0.31 -0.82 0.00 2.04 -0.25 0.89 117.51 119.99 3i01 h ILE 405 Ca -0.03 -0.18 0.22 0.00 1.00 0.00 0.00 64.86 65.86 3i01 h ILE 405 Cb 1.31 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3i01 h ILE 405 CO 0.13 0.02 0.58 -0.33 0.00 0.00 0.00 178.15 178.55 3i01 h GLU 406 N -0.99 0.11 0.00 2.37 4.39 -0.57 -0.67 114.58 119.22 3i01 h GLU 406 Ca -0.09 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.39 3i01 h GLU 406 Cb 0.70 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 3i01 h GLU 406 CO 0.14 0.08 -1.08 0.00 -1.16 0.00 0.00 179.01 176.99 3i01 h ALA 407 N 1.61 0.43 -0.11 3.43 0.00 -0.98 -3.26 119.26 120.37 3i01 h ALA 407 Ca 0.40 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i01 h ALA 407 Cb 1.40 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3i01 h ALA 407 CO -0.05 1.26 0.07 0.35 0.00 0.00 0.00 179.25 180.88 3i01 h PHE 408 N 0.00 0.13 -0.79 0.00 3.57 0.71 -1.81 116.94 118.76 3i01 h PHE 408 Ca -0.05 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.61 3i01 h PHE 408 Cb 1.78 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 40.38 3i01 h PHE 408 CO 0.00 0.08 0.33 0.87 -2.23 0.00 0.00 178.31 177.36 3i01 h LYS 409 N 0.15 0.45 0.00 1.11 1.57 -1.52 -1.04 116.57 117.29 3i01 h LYS 409 Ca 0.04 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3i01 h LYS 409 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3i01 h LYS 409 CO -0.02 0.30 -0.41 0.93 -0.57 0.00 0.00 179.45 179.68 3i01 h GLU 410 N 0.46 0.00 -0.22 3.15 5.08 -1.57 -0.89 114.58 120.58 3i01 h GLU 410 Ca 0.44 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.64 3i01 h GLU 410 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3i01 h GLU 410 CO -0.41 0.41 -0.49 -0.09 -1.00 0.00 0.00 179.01 177.42 3i01 h ARG 411 N 0.00 0.72 0.51 2.33 2.43 -0.50 -2.87 114.38 117.00 3i01 h ARG 411 Ca -0.00 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 3i01 h ARG 411 Cb 1.19 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 3i01 h ARG 411 CO 0.05 1.11 -0.25 0.87 -1.51 0.00 0.00 179.97 180.24 3i01 h LYS 412 N 0.44 -0.66 -1.42 0.20 1.79 -1.17 -3.23 116.57 112.52 3i01 h LYS 412 Ca 0.00 0.05 0.41 0.00 -2.18 0.00 0.00 60.65 58.93 3i01 h LYS 412 Cb 1.10 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.85 3i01 h LYS 412 CO 0.11 -0.44 1.13 1.49 -1.08 0.00 0.00 179.45 180.66 3i01 h GLU 413 N -1.09 0.00 0.00 3.15 4.81 -1.28 -3.41 114.58 116.76 3i01 h GLU 413 Ca -0.07 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3i01 h GLU 413 Cb 0.53 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.91 3i01 h GLU 413 CO 0.12 0.00 0.01 -1.13 -0.73 0.00 0.00 179.01 177.27 3i01 n SER 414 N -3.85 0.11 0.05 1.04 3.41 -1.08 -5.01 113.62 108.29 3i01 n SER 414 Ca 0.31 -1.09 -0.13 0.00 -0.26 0.00 0.00 58.87 57.71 3i01 n SER 414 Cb 1.57 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 65.39 3i01 n SER 414 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3i01 h ASN 415 N -0.03 -0.10 -1.33 4.04 -0.73 -1.80 -3.49 115.58 112.15 3i01 h ASN 415 Ca -0.02 -0.26 -0.09 0.00 1.87 0.00 0.00 56.30 57.79 3i01 h ASN 415 Cb 0.09 0.03 0.01 0.00 0.27 0.00 0.00 38.32 38.72 3i01 h ASN 415 CO 0.03 0.21 -0.14 -2.11 -0.37 0.00 0.00 177.43 175.05 3i01 n ARG 416 N -5.00 -1.03 -1.61 6.67 -4.01 -1.26 -4.98 116.66 105.44 3i01 n ARG 416 Ca -0.08 0.21 -0.50 0.00 -1.04 0.00 0.00 57.85 56.44 3i01 n ARG 416 Cb 0.19 -3.66 -0.05 0.00 -3.04 0.00 0.00 32.46 25.90 3i01 n ARG 416 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 3i01 n PRO 417 N -1.48 1.37 -3.73 2.89 -0.04 -1.26 -4.91 135.00 127.83 3i01 n PRO 417 Ca -0.03 0.49 -0.15 0.00 -0.04 0.00 0.00 63.50 63.77 3i01 n PRO 417 Cb 0.53 -2.12 -0.15 0.00 -0.04 0.00 0.00 33.50 31.72 3i01 n PRO 417 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i01 s VAL 418 N 0.37 -0.11 -0.28 0.52 1.01 -1.26 -4.55 120.40 116.10 3i01 s VAL 418 Ca 0.80 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 3i01 s VAL 418 Cb -0.87 -0.23 0.09 0.00 0.00 0.00 0.00 36.38 35.37 3i01 s VAL 418 CO 0.47 0.10 0.05 -0.47 0.00 0.00 0.00 175.10 175.24 3i01 s TYR 419 N 1.49 2.07 -0.31 5.22 5.04 -0.59 -5.03 117.35 125.24 3i01 s TYR 419 Ca -0.05 -1.81 -0.11 0.00 -2.44 0.00 0.00 57.07 52.66 3i01 s TYR 419 Cb -0.12 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.40 3i01 s TYR 419 CO -0.05 -0.83 0.18 0.42 -1.34 0.00 0.00 175.55 173.93 3i01 s ILE 420 N 1.49 4.92 0.29 3.14 1.01 -1.26 -4.46 121.20 126.33 3i01 s ILE 420 Ca 0.05 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 3i01 s ILE 420 Cb -0.18 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.70 3i01 s ILE 420 CO -0.16 0.09 1.60 -2.65 0.00 0.00 0.00 174.94 173.82 3i01 n PRO 421 N 5.03 2.70 -1.99 2.79 -0.02 -1.26 -4.87 135.00 137.38 3i01 n PRO 421 Ca -0.14 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 61.93 3i01 n PRO 421 Cb 0.50 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.22 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 2.23 4.11 -3.97 -0.52 1.13 -1.26 -2.20 117.38 116.90 3i01 n GLN 422 Ca 0.09 -3.43 -0.24 0.00 -1.94 0.00 0.00 57.00 51.48 3i01 n GLN 422 Cb 0.37 -2.46 -0.17 0.00 0.11 0.00 0.00 30.24 28.08 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 -2.30 0.74 -0.10 5.09 1.01 -1.26 -4.95 121.20 119.43 3i01 s ILE 423 Ca 0.52 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 3i01 s ILE 423 Cb 0.25 -0.79 0.07 0.00 0.01 0.00 0.00 42.46 42.00 3i01 s ILE 423 CO -0.16 0.31 0.69 -1.59 0.00 0.00 0.00 174.94 174.19 3i01 s LYS 424 N 1.57 1.01 0.21 2.79 -2.85 -1.26 -0.76 119.74 120.44 3i01 s LYS 424 Ca 0.00 0.43 0.11 0.00 -1.00 0.00 0.00 55.97 55.52 3i01 s LYS 424 Cb -0.13 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 3i01 s LYS 424 CO -0.05 -0.28 -0.20 -0.80 0.10 0.00 0.00 175.35 174.13 3i01 s ASN 425 N -0.82 3.64 0.38 0.03 0.01 0.47 -4.94 114.94 113.71 3i01 s ASN 425 Ca -0.08 -0.83 -0.25 0.00 -0.71 0.00 0.00 52.86 50.99 3i01 s ASN 425 Cb -0.01 -0.37 -0.09 0.00 0.41 0.00 0.00 41.25 41.19 3i01 s ASN 425 CO 0.08 0.10 1.05 -0.60 -1.51 0.00 0.00 177.10 176.22 3i01 s ARG 426 N -2.86 4.25 -0.09 -0.60 3.52 -1.26 -1.26 118.95 120.64 3i01 s ARG 426 Ca 0.23 1.53 0.02 0.00 -0.13 0.00 0.00 55.73 57.38 3i01 s ARG 426 Cb -0.08 -2.63 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 3i01 s ARG 426 CO 0.12 -0.07 -0.13 0.08 -0.81 0.00 0.00 175.30 174.49 3i01 s VAL 427 N -1.60 1.30 -0.14 7.11 1.01 -0.67 -3.53 120.40 123.88 3i01 s VAL 427 Ca 0.56 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 3i01 s VAL 427 Cb -0.23 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3i01 s VAL 427 CO 0.29 0.40 0.00 -0.69 0.00 0.00 0.00 175.10 175.10 3i01 s VAL 428 N 0.96 4.27 0.00 2.92 1.01 0.39 -0.77 120.40 129.18 3i01 s VAL 428 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3i01 s VAL 428 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3i01 s VAL 428 CO -0.00 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.62 3i01 n ALA 429 N 3.03 0.00 -0.66 5.51 0.00 -0.75 -4.64 120.51 123.00 3i01 n ALA 429 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i01 n ALA 429 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.62 2.58 0.00 0.00 -1.24 -1.01 105.19 106.14 3i01 n GLY 430 Ca 0.00 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.66 2.32 -0.67 1.61 7.02 -1.05 -2.58 117.44 121.44 3i01 n TRP 431 Ca 0.00 -2.62 -0.31 0.00 -1.02 0.00 0.00 57.50 53.55 3i01 n TRP 431 Cb 0.00 -2.20 0.17 0.00 -2.42 0.00 0.00 31.31 26.86 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 4.77 -1.03 -0.03 -0.99 3.41 -1.26 -4.34 113.62 114.16 3i01 n SER 432 Ca 0.61 0.23 -0.01 0.00 -0.26 0.00 0.00 58.87 59.44 3i01 n SER 432 Cb 0.26 -1.31 0.26 0.00 -0.26 0.00 0.00 64.21 63.16 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 -1.97 0.55 -0.44 1.04 5.85 -1.92 -1.76 115.31 116.66 3i01 h LEU 433 Ca -0.48 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.21 3i01 h LEU 433 Cb 1.29 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 3i01 h LEU 433 CO 0.40 0.64 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.77 3i01 h GLU 434 N 0.56 0.06 -0.35 1.25 3.07 -1.91 0.30 114.58 117.57 3i01 h GLU 434 Ca 0.11 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3i01 h GLU 434 Cb 0.38 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3i01 h GLU 434 CO 0.01 0.04 0.05 0.00 -1.40 0.00 0.00 179.01 177.71 3i01 h ALA 435 N 1.41 1.43 -0.02 3.43 0.00 -1.71 -1.50 119.26 122.30 3i01 h ALA 435 Ca 0.22 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3i01 h ALA 435 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i01 h ALA 435 CO -0.40 0.41 -0.74 -0.07 0.00 0.00 0.00 179.25 178.45 3i01 h LEU 436 N 0.51 0.17 0.10 0.00 3.38 -0.36 -2.35 115.31 116.75 3i01 h LEU 436 Ca 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i01 h LEU 436 Cb 0.26 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3i01 h LEU 436 CO 0.00 0.85 -0.05 0.74 0.09 0.00 0.00 178.44 180.07 3i01 h THR 437 N 0.09 1.11 -0.82 0.22 2.02 -0.06 -2.11 112.91 113.37 3i01 h THR 437 Ca -0.02 -0.89 0.19 0.00 0.77 0.00 0.00 66.41 66.46 3i01 h THR 437 Cb 1.30 1.67 -0.12 0.00 -1.74 0.00 0.00 68.15 69.27 3i01 h THR 437 CO 0.11 0.21 0.29 0.50 0.37 0.00 0.00 175.52 177.00 3i01 h LYS 438 N -0.55 0.35 -0.09 6.66 3.64 -1.30 0.31 116.57 125.59 3i01 h LYS 438 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3i01 h LYS 438 Cb 0.45 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3i01 h LYS 438 CO 0.02 0.23 0.02 1.25 -2.27 0.00 0.00 179.45 178.70 3i01 h LEU 439 N 0.36 0.13 -1.12 5.20 5.85 -1.31 -2.97 115.31 121.45 3i01 h LEU 439 Ca 0.48 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3i01 h LEU 439 Cb 0.86 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3i01 h LEU 439 CO -0.51 0.34 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.58 3i01 h LEU 440 N -0.08 0.27 -1.45 2.25 3.38 -0.64 -2.08 115.31 116.96 3i01 h LEU 440 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3i01 h LEU 440 Cb 0.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i01 h LEU 440 CO 0.00 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.08 3i01 h ALA 441 N 1.47 1.00 -0.27 1.53 0.00 -0.24 -1.31 119.26 121.45 3i01 h ALA 441 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3i01 h ALA 441 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i01 h ALA 441 CO 0.04 0.00 -0.21 1.79 0.00 0.00 0.00 179.25 180.88 3i01 h THR 442 N 0.00 1.25 0.05 0.00 1.35 -1.33 -2.64 112.91 111.59 3i01 h THR 442 Ca 0.00 -1.19 -0.28 0.00 -0.55 0.00 0.00 66.41 64.39 3i01 h THR 442 Cb 0.13 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 3i01 h THR 442 CO 0.00 0.38 -1.49 1.56 -0.25 0.00 0.00 175.52 175.72 3i01 h GLN 443 N 0.44 0.11 -1.95 4.72 1.08 -1.41 -3.45 115.11 114.65 3i01 h GLN 443 Ca 0.07 -0.18 -0.25 0.00 -1.45 0.00 0.00 58.65 56.83 3i01 h GLN 443 Cb 0.61 0.07 -0.31 0.00 -0.05 0.00 0.00 27.48 27.80 3i01 h GLN 443 CO 0.04 0.89 -0.58 1.21 -0.95 0.00 0.00 178.83 179.44 3i01 s ASN 444 N -6.62 0.99 0.28 1.46 3.84 -1.06 -5.04 114.94 108.78 3i01 s ASN 444 Ca -0.06 -0.50 0.15 0.00 0.21 0.00 0.00 52.86 52.66 3i01 s ASN 444 Cb 0.08 0.81 0.16 0.00 -0.55 0.00 0.00 41.25 41.75 3i01 s ASN 444 CO 0.83 -0.36 1.48 0.00 -2.79 0.00 0.00 177.10 176.26 3i01 h ALA 445 N 8.21 0.69 0.00 1.71 0.00 -1.76 -2.51 119.26 125.61 3i01 h ALA 445 Ca -0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 3i01 h ALA 445 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3i01 h ALA 445 CO 0.30 0.68 -0.57 -0.56 0.00 0.00 0.00 179.25 179.10 3i01 h GLN 446 N 0.00 0.00 -1.82 0.00 -0.00 -1.96 -3.41 115.11 107.91 3i01 h GLN 446 Ca -0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 58.65 58.20 3i01 h GLN 446 Cb 1.34 0.00 -0.31 0.00 -0.00 0.00 0.00 27.48 28.51 3i01 h GLN 446 CO 0.07 0.14 -0.84 -1.71 -0.00 0.00 0.00 178.83 176.49 3i01 n ASN 447 N -2.98 -1.36 -0.06 0.06 5.15 -1.23 -5.06 115.26 109.78 3i01 n ASN 447 Ca 0.01 -2.60 -0.08 0.00 -0.60 0.00 0.00 54.58 51.31 3i01 n ASN 447 Cb 0.62 0.20 -0.02 0.00 -0.53 0.00 0.00 39.78 40.04 3i01 n ASN 447 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i01 h PRO 448 N 5.19 -0.03 -0.26 1.20 0.11 -1.68 -2.04 132.00 134.49 3i01 h PRO 448 Ca 0.17 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.36 3i01 h PRO 448 Cb 0.97 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3i01 h PRO 448 CO 0.28 -0.02 0.26 0.97 -0.21 0.00 0.00 178.00 179.28 3i01 h ILE 449 N -0.03 0.51 0.00 4.15 6.09 -1.92 -1.20 117.51 125.12 3i01 h ILE 449 Ca 0.12 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.61 3i01 h ILE 449 Cb 0.22 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.30 3i01 h ILE 449 CO -0.27 0.00 0.00 -0.09 -3.07 0.00 0.00 178.15 174.72 3i01 h ARG 450 N 0.00 0.00 0.09 2.19 9.65 -1.74 -1.45 114.38 123.11 3i01 h ARG 450 Ca 0.12 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.00 3i01 h ARG 450 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3i01 h ARG 450 CO -0.00 0.00 -0.04 0.28 2.80 0.00 0.00 179.97 183.01 3i01 h VAL 451 N 0.00 1.07 -0.22 0.20 2.07 -1.34 0.10 116.25 118.14 3i01 h VAL 451 Ca 0.00 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3i01 h VAL 451 Cb 0.12 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3i01 h VAL 451 CO 0.00 0.14 0.09 0.25 0.02 0.00 0.00 177.57 178.08 3i01 h LEU 452 N -0.38 0.30 -0.41 2.57 5.85 -1.60 -2.89 115.31 118.75 3i01 h LEU 452 Ca -0.01 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3i01 h LEU 452 Cb 0.32 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3i01 h LEU 452 CO 0.02 0.37 0.18 0.78 -0.34 0.00 0.00 178.44 179.45 3i01 h ASN 453 N 0.21 0.55 -0.91 1.25 2.35 -1.23 -2.56 115.58 115.24 3i01 h ASN 453 Ca 0.07 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3i01 h ASN 453 Cb 0.16 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.34 3i01 h ASN 453 CO -0.01 0.55 0.59 -0.61 -1.65 0.00 0.00 177.43 176.30 3i01 h GLN 454 N 0.52 1.13 -0.60 0.81 5.75 -0.83 0.93 115.11 122.82 3i01 h GLN 454 Ca 0.14 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.50 3i01 h GLN 454 Cb 0.16 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 3i01 h GLN 454 CO -0.01 0.75 0.09 0.00 -2.65 0.00 0.00 178.83 177.00 3i01 h ALA 455 N 1.36 1.03 0.05 3.38 0.00 -1.46 0.47 119.26 124.09 3i01 h ALA 455 Ca 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i01 h ALA 455 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i01 h ALA 455 CO -0.11 0.62 -0.02 0.82 0.00 0.00 0.00 179.25 180.56 3i01 h ILE 456 N 0.91 0.99 -0.82 0.00 2.04 -1.02 -1.39 117.51 118.23 3i01 h ILE 456 Ca 0.18 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3i01 h ILE 456 Cb 0.41 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3i01 h ILE 456 CO 0.01 0.03 0.42 -0.07 0.00 0.00 0.00 178.15 178.54 3i01 h LEU 457 N -0.11 1.04 -0.10 1.44 3.38 -0.43 -1.44 115.31 119.08 3i01 h LEU 457 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3i01 h LEU 457 Cb 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3i01 h LEU 457 CO 0.01 0.86 0.00 0.47 0.09 0.00 0.00 178.44 179.87 3i01 n ASP 458 N -4.32 0.53 0.00 -0.43 8.00 0.16 -4.93 116.55 115.56 3i01 n ASP 458 Ca 0.08 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.15 3i01 n ASP 458 Cb 0.12 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 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 1.10 0.75 0.07 0.44 0.00 -0.54 -4.94 105.19 102.07 3i01 n GLY 459 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3i01 n GLY 459 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i01 h GLU 460 N 3.92 0.03 -6.28 1.61 4.11 -1.50 -3.44 114.58 113.02 3i01 h GLU 460 Ca 0.00 -0.05 -0.59 0.00 0.07 0.00 0.00 59.36 58.79 3i01 h GLU 460 Cb 0.00 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 3i01 h GLU 460 CO 0.00 0.88 -0.63 -0.51 0.07 0.00 0.00 179.01 178.82 3i01 s LEU 461 N -6.58 3.45 0.08 3.06 1.43 -0.88 -4.01 118.68 115.23 3i01 s LEU 461 Ca -0.01 -0.34 0.12 0.00 -1.03 0.00 0.00 54.13 52.86 3i01 s LEU 461 Cb 0.09 -2.07 -0.16 0.00 0.03 0.00 0.00 46.19 44.07 3i01 s LEU 461 CO 0.83 0.07 1.02 0.00 0.23 0.00 0.00 176.35 178.50 3i01 h ALA 462 N 2.50 0.59 0.00 4.21 0.00 -0.20 -3.39 119.26 122.98 3i01 h ALA 462 Ca -0.47 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.42 3i01 h ALA 462 Cb 1.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i01 h ALA 462 CO 0.60 1.21 0.00 0.41 0.00 0.00 0.00 179.25 181.47 3i01 n GLY 463 N 1.41 -0.83 3.64 0.00 0.00 -1.26 -4.73 105.19 103.42 3i01 n GLY 463 Ca -0.07 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.88 4.11 -0.02 1.61 1.01 -0.63 -1.72 120.40 122.88 3i01 s VAL 464 Ca 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3i01 s VAL 464 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3i01 s VAL 464 CO 0.00 0.59 -0.18 0.00 0.00 0.00 0.00 175.10 175.52 3i01 s ALA 465 N -0.77 1.50 -0.24 5.51 0.00 -0.65 -1.49 121.76 125.63 3i01 s ALA 465 Ca 0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 3i01 s ALA 465 Cb -0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3i01 s ALA 465 CO 0.02 0.35 0.00 -1.17 0.00 0.00 0.00 175.76 174.96 3i01 s LEU 466 N -0.33 3.16 -0.21 0.00 2.96 -0.72 -1.31 118.68 122.23 3i01 s LEU 466 Ca 0.05 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3i01 s LEU 466 Cb -0.08 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3i01 s LEU 466 CO -0.00 -0.04 0.02 -0.63 -1.32 0.00 0.00 176.35 174.38 3i01 s ILE 467 N 1.52 4.15 0.29 6.68 -1.09 -0.49 -0.45 121.20 131.81 3i01 s ILE 467 Ca 0.06 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.28 3i01 s ILE 467 Cb -0.15 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3i01 s ILE 467 CO -0.01 0.42 0.29 0.00 -1.23 0.00 0.00 174.94 174.41 3i01 n GLY 469 N -0.53 -2.15 0.89 0.00 0.00 -1.25 -4.48 105.19 97.67 3i01 n GLY 469 Ca 0.05 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 6.46 -0.21 0.00 0.02 -1.23 -4.40 114.94 113.58 3i01 s ASN 471 Ca 0.16 0.49 -0.04 0.00 -1.02 0.00 0.00 52.86 52.45 3i01 s ASN 471 Cb -0.01 -2.06 0.10 0.00 0.02 0.00 0.00 41.25 39.30 3i01 s ASN 471 CO 0.11 0.20 0.24 0.21 0.02 0.00 0.00 177.10 177.88 3i01 s ASN 472 N -2.00 1.22 0.00 -1.22 3.84 -1.09 -4.49 114.94 111.20 3i01 s ASN 472 Ca 0.31 -0.15 0.04 0.00 0.21 0.00 0.00 52.86 53.28 3i01 s ASN 472 Cb -0.13 0.47 0.25 0.00 -0.55 0.00 0.00 41.25 41.29 3i01 s ASN 472 CO 0.20 -0.32 0.62 0.18 -2.79 0.00 0.00 177.10 174.99 3i01 n LEU 473 N 5.32 0.00 0.04 3.21 4.77 -1.26 -2.12 117.00 126.97 3i01 n LEU 473 Ca -0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.91 3i01 n LEU 473 Cb 0.50 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.83 3i01 n LEU 473 CO 0.08 0.00 0.76 0.11 -1.33 0.00 0.00 177.39 177.01 3i01 h LYS 474 N 0.00 0.40 -6.19 3.23 1.57 -1.96 -3.41 116.57 110.22 3i01 h LYS 474 Ca 0.00 -0.14 -0.59 0.00 -1.87 0.00 0.00 60.65 58.05 3i01 h LYS 474 Cb 0.00 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 3i01 h LYS 474 CO 0.00 0.62 -0.57 0.20 -0.57 0.00 0.00 179.45 179.13 3i01 s GLY 475 N -4.03 1.81 0.27 3.86 0.00 -0.90 -0.11 107.32 108.22 3i01 s GLY 475 Ca -0.06 -1.15 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 3i01 s GLY 475 CO 0.78 -1.15 1.43 -1.36 0.00 0.00 0.00 173.10 172.80 3i01 s PHE 476 N -1.64 2.97 0.13 1.90 0.40 -1.26 -4.69 117.98 115.79 3i01 s PHE 476 Ca 0.31 1.08 -0.35 0.00 -0.60 0.00 0.00 56.93 57.36 3i01 s PHE 476 Cb -0.11 -3.83 -0.16 0.00 0.51 0.00 0.00 43.02 39.43 3i01 s PHE 476 CO 0.23 -2.63 1.28 0.94 0.70 0.00 0.00 175.22 175.74 3i01 n GLN 477 N 1.96 1.20 -0.20 0.44 7.27 -0.47 -1.15 117.38 126.43 3i01 n GLN 477 Ca 0.05 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3i01 n GLN 477 Cb 0.40 -2.02 0.00 0.00 2.41 0.00 0.00 30.24 31.03 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 2.35 0.00 -0.09 1.69 8.00 -1.26 -2.35 116.55 124.88 3i01 n ASP 478 Ca 0.17 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.56 3i01 n ASP 478 Cb 0.22 -1.22 -0.04 0.00 -0.02 0.00 0.00 41.12 40.06 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 0.48 0.40 -2.24 -1.24 -1.50 -0.42 115.58 111.06 3i01 h ASN 479 Ca 0.00 -0.33 -0.20 0.00 0.71 0.00 0.00 56.30 56.48 3i01 h ASN 479 Cb 0.00 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 3i01 h ASN 479 CO 0.00 0.69 -0.86 0.28 -1.29 0.00 0.00 177.43 176.25 3i01 h SER 480 N 0.26 0.42 -0.07 1.15 0.02 -1.88 -1.04 113.55 112.41 3i01 h SER 480 Ca 0.07 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3i01 h SER 480 Cb 0.46 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3i01 h SER 480 CO 0.02 1.10 0.05 0.45 -1.14 0.00 0.00 176.83 177.31 3i01 h HIS 481 N 0.20 0.09 -0.24 3.45 3.86 -1.84 -0.85 115.15 119.82 3i01 h HIS 481 Ca -0.06 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 3i01 h HIS 481 Cb 1.48 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.91 3i01 h HIS 481 CO 0.05 0.06 -0.15 -0.07 0.86 0.00 0.00 177.93 178.68 3i01 h LEU 482 N 0.09 0.56 -0.94 2.43 3.38 -1.05 -1.31 115.31 118.46 3i01 h LEU 482 Ca 0.03 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3i01 h LEU 482 Cb -0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3i01 h LEU 482 CO -0.01 0.87 0.56 0.74 0.09 0.00 0.00 178.44 180.69 3i01 h THR 483 N 0.25 1.26 -0.11 0.22 2.02 -1.16 -1.09 112.91 114.30 3i01 h THR 483 Ca 0.05 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 3i01 h THR 483 Cb 0.67 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3i01 h THR 483 CO 0.04 0.28 -0.07 0.58 0.37 0.00 0.00 175.52 176.72 3i01 h VAL 484 N 1.30 1.33 -0.23 3.16 2.07 -1.06 -2.67 116.25 120.16 3i01 h VAL 484 Ca 0.34 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3i01 h VAL 484 Cb -0.04 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3i01 h VAL 484 CO -0.06 0.32 0.13 0.24 0.02 0.00 0.00 177.57 178.22 3i01 h MET 485 N -0.13 0.32 -0.41 1.57 2.07 -1.06 -2.05 114.93 115.24 3i01 h MET 485 Ca 0.02 -0.04 0.02 0.00 -2.07 0.00 0.00 59.70 57.64 3i01 h MET 485 Cb 0.54 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 30.18 3i01 h MET 485 CO 0.02 0.29 0.23 0.87 1.07 0.00 0.00 176.91 179.39 3i01 h LYS 486 N 0.27 0.46 -0.54 1.72 1.57 -1.28 0.17 116.57 118.94 3i01 h LYS 486 Ca 0.08 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3i01 h LYS 486 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3i01 h LYS 486 CO -0.01 0.30 0.05 1.49 -0.57 0.00 0.00 179.45 180.71 3i01 h GLU 487 N 0.47 0.89 -0.02 3.15 4.57 -1.27 -1.76 114.58 120.62 3i01 h GLU 487 Ca 0.17 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3i01 h GLU 487 Cb 0.02 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3i01 h GLU 487 CO -0.09 0.86 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.52 3i01 h LEU 488 N 0.84 0.04 -0.71 1.64 3.38 -1.08 -2.52 115.31 116.90 3i01 h LEU 488 Ca 0.17 -0.46 0.12 0.00 0.09 0.00 0.00 57.88 57.80 3i01 h LEU 488 Cb 0.43 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 3i01 h LEU 488 CO 0.02 0.49 0.29 -0.07 0.09 0.00 0.00 178.44 179.26 3i01 h LEU 489 N -0.41 0.30 -2.05 1.67 3.38 -0.59 0.20 115.31 117.80 3i01 h LEU 489 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i01 h LEU 489 Cb 0.48 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i01 h LEU 489 CO 0.00 0.14 -0.02 0.50 0.09 0.00 0.00 178.44 179.15 3i01 h LYS 490 N 0.47 0.00 -0.51 1.13 3.64 -1.18 -1.68 116.57 118.44 3i01 h LYS 490 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3i01 h LYS 490 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3i01 h LYS 490 CO -0.36 0.02 0.00 0.09 -2.27 0.00 0.00 179.45 176.94 3i01 n ASN 491 N -4.36 4.20 -0.50 4.20 3.02 0.62 -3.87 115.26 118.57 3i01 n ASN 491 Ca -0.03 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.06 3i01 n ASN 491 Cb 0.11 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 0.67 -1.84 -4.74 6.41 3.02 -0.74 -4.48 115.26 113.57 3i01 n ASN 492 Ca 0.22 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.42 3i01 n ASN 492 Cb 0.79 -0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 39.42 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 -2.91 5.38 -0.36 2.41 1.01 -1.03 0.48 120.40 125.38 3i01 s VAL 493 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3i01 s VAL 493 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3i01 s VAL 493 CO 0.00 0.46 1.38 0.12 0.00 0.00 0.00 175.10 177.06 3i01 s PHE 494 N 0.23 2.50 -0.20 5.22 5.36 -0.70 -4.47 117.98 125.91 3i01 s PHE 494 Ca 0.08 0.74 -0.12 0.00 -0.96 0.00 0.00 56.93 56.68 3i01 s PHE 494 Cb -0.11 -4.13 -0.05 0.00 -0.34 0.00 0.00 43.02 38.39 3i01 s PHE 494 CO -0.01 -1.93 0.22 0.08 -1.46 0.00 0.00 175.22 172.12 3i01 s VAL 495 N 4.99 5.34 0.10 3.12 1.01 -1.26 -1.64 120.40 132.06 3i01 s VAL 495 Ca 0.60 0.35 0.09 0.00 0.00 0.00 0.00 61.98 63.02 3i01 s VAL 495 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3i01 s VAL 495 CO 0.29 0.37 -0.20 0.68 0.00 0.00 0.00 175.10 176.24 3i01 s VAL 496 N 0.72 2.68 0.04 2.92 -7.23 -0.43 -1.02 120.40 118.07 3i01 s VAL 496 Ca 0.12 -1.47 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 3i01 s VAL 496 Cb -0.13 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 3i01 s VAL 496 CO 0.03 0.17 0.11 0.00 -0.31 0.00 0.00 175.10 175.10 3i01 s ALA 497 N -1.05 -0.09 0.23 1.32 0.00 0.92 -1.40 121.76 121.69 3i01 s ALA 497 Ca 0.16 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 3i01 s ALA 497 Cb -0.10 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 3i01 s ALA 497 CO 0.08 -0.33 0.31 0.95 0.00 0.00 0.00 175.76 176.76 3i01 s THR 498 N -2.71 0.00 0.00 0.00 -4.23 -0.57 -0.74 115.64 107.39 3i01 s THR 498 Ca -0.04 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3i01 s THR 498 Cb -0.01 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.45 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 -0.35 2.59 0.26 3.99 0.00 -0.54 -2.02 105.19 109.11 3i01 n GLY 499 Ca 0.01 -0.39 0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 1.11 -0.00 0.00 0.87 -0.84 -0.88 113.55 113.81 3i01 h SER 501 Ca 0.00 -0.16 -0.17 0.00 -1.23 0.00 0.00 61.79 60.22 3i01 h SER 501 Cb 0.49 -0.29 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3i01 h SER 501 CO 0.00 0.97 -0.68 0.00 -0.53 0.00 0.00 176.83 176.59 3i01 h ALA 502 N 1.18 0.09 -0.62 6.23 0.00 -1.09 -2.58 119.26 122.47 3i01 h ALA 502 Ca 0.27 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.68 3i01 h ALA 502 Cb 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3i01 h ALA 502 CO -0.03 0.41 0.25 1.96 0.00 0.00 0.00 179.25 181.84 3i01 h GLN 503 N -0.02 0.43 -0.88 0.00 4.20 -1.34 0.84 115.11 118.34 3i01 h GLN 503 Ca -0.08 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.73 3i01 h GLN 503 Cb 1.38 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.97 3i01 h GLN 503 CO 0.13 0.28 0.49 0.00 -0.67 0.00 0.00 178.83 179.07 3i01 h ALA 504 N 1.41 1.32 -0.60 3.87 0.00 -1.08 0.16 119.26 124.35 3i01 h ALA 504 Ca 0.31 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 3i01 h ALA 504 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3i01 h ALA 504 CO -0.29 0.01 -0.03 0.00 0.00 0.00 0.00 179.25 178.94 3i01 h ALA 505 N 1.54 0.82 -0.13 0.00 0.00 -0.50 -2.92 119.26 118.07 3i01 h ALA 505 Ca 0.46 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 505 Cb 0.58 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i01 h ALA 505 CO -0.32 0.68 -0.51 0.78 0.00 0.00 0.00 179.25 179.88 3i01 h GLY 506 N 0.98 0.63 1.96 0.00 0.00 -0.70 -0.07 103.07 105.86 3i01 h GLY 506 Ca 0.17 -0.85 0.01 0.00 0.00 0.00 0.00 47.33 46.65 3i01 h GLY 506 CO 0.04 0.76 0.02 0.50 0.00 0.00 0.00 176.54 177.85 3i01 h LYS 507 N 0.20 0.00 0.00 4.80 1.57 -0.95 -3.27 116.57 118.92 3i01 h LYS 507 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3i01 h LYS 507 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3i01 h LYS 507 CO 0.11 0.00 -0.09 1.28 -0.57 0.00 0.00 179.45 180.17 3i01 n LEU 508 N -4.28 1.34 0.00 2.94 4.77 -1.11 -4.21 117.00 116.45 3i01 n LEU 508 Ca -0.03 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 3i01 n LEU 508 Cb 0.11 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3i01 n LEU 508 CO 0.32 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3i01 n GLY 509 N -0.59 2.75 0.00 -0.72 0.00 -0.77 -4.96 105.19 100.89 3i01 n GLY 509 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -1.47 0.99 4.32 -0.11 -1.36 117.00 119.37 3i01 n LEU 510 Ca 0.00 0.37 0.10 0.00 -0.02 0.00 0.00 56.01 56.46 3i01 n LEU 510 Cb 0.00 -0.37 0.34 0.00 -1.62 0.00 0.00 43.42 41.77 3i01 n LEU 510 CO 0.00 -0.22 0.80 0.18 -1.22 0.00 0.00 177.39 176.92 3i01 n LEU 511 N -1.37 4.50 -4.59 2.23 4.77 -1.14 -2.86 117.00 118.55 3i01 n LEU 511 Ca 0.05 -2.37 -0.39 0.00 -0.03 0.00 0.00 56.01 53.26 3i01 n LEU 511 Cb 0.11 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 3i01 n LEU 511 CO 0.10 0.83 -0.00 -0.62 -1.33 0.00 0.00 177.39 176.37 3i01 s ASP 512 N -0.98 6.18 0.59 -1.43 -1.08 -0.47 -0.47 116.67 119.02 3i01 s ASP 512 Ca 0.49 0.09 0.29 0.00 -0.52 0.00 0.00 52.55 52.90 3i01 s ASP 512 Cb 0.31 -2.18 1.55 0.00 -1.46 0.00 0.00 42.92 41.14 3i01 s ASP 512 CO 0.25 -0.19 1.98 -0.65 0.52 0.00 0.00 175.17 177.08 3i01 h PRO 513 N 8.29 0.00 -0.09 4.34 0.11 -1.87 0.24 132.00 143.03 3i01 h PRO 513 Ca -0.32 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.81 3i01 h PRO 513 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i01 h PRO 513 CO 0.63 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.51 3i01 h ALA 514 N 1.57 1.73 -0.15 -0.75 0.00 -1.93 -2.99 119.26 116.75 3i01 h ALA 514 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i01 h ALA 514 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i01 h ALA 514 CO -0.00 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.21 3i01 n ASN 515 N -3.95 1.22 -0.09 0.00 3.02 0.86 -3.94 115.26 112.38 3i01 n ASN 515 Ca -0.01 -1.72 -0.11 0.00 -0.03 0.00 0.00 54.58 52.70 3i01 n ASN 515 Cb 0.19 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.54 1.27 -0.35 2.41 2.07 -1.68 -1.59 116.25 119.92 3i01 h VAL 516 Ca 0.00 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3i01 h VAL 516 Cb 0.34 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3i01 h VAL 516 CO 0.00 0.32 0.07 -0.33 0.02 0.00 0.00 177.57 177.65 3i01 h GLU 517 N 0.26 0.51 -0.24 1.57 4.39 -1.84 -0.44 114.58 118.80 3i01 h GLU 517 Ca 0.07 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.51 3i01 h GLU 517 Cb 0.48 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3i01 h GLU 517 CO 0.02 0.49 -0.54 0.00 -1.16 0.00 0.00 179.01 177.81 3i01 h THR 518 N 0.50 1.30 0.00 1.13 1.03 -1.69 -3.40 112.91 111.77 3i01 h THR 518 Ca 0.12 -1.76 -0.22 0.00 -0.01 0.00 0.00 66.41 64.54 3i01 h THR 518 Cb 0.22 1.69 -0.04 0.00 -1.07 0.00 0.00 68.15 68.95 3i01 h THR 518 CO -0.00 0.56 -1.81 -1.22 -0.01 0.00 0.00 175.52 173.03 3i01 n TYR 519 N -3.98 0.00 -2.94 0.00 4.02 -0.63 -5.06 117.16 108.57 3i01 n TYR 519 Ca -0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.49 3i01 n TYR 519 Cb 0.61 -0.58 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 3i01 n TYR 519 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i01 s GLY 521 N -1.59 1.65 0.47 0.00 0.00 -0.67 -4.66 107.32 102.51 3i01 s GLY 521 Ca 0.46 -0.11 0.35 0.00 0.00 0.00 0.00 44.72 45.42 3i01 s GLY 521 CO 0.23 0.19 1.62 -0.55 0.00 0.00 0.00 173.10 174.59 3i01 h ASP 522 N -0.49 0.18 0.00 1.64 5.19 -1.92 0.24 116.42 121.26 3i01 h ASP 522 Ca -0.44 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.07 3i01 h ASP 522 Cb 1.21 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3i01 h ASP 522 CO 0.61 -0.14 -0.02 1.23 -3.12 0.00 0.00 179.24 177.80 3i01 h GLY 523 N 0.06 0.01 1.02 2.75 0.00 -1.91 -1.26 103.07 103.74 3i01 h GLY 523 Ca 0.83 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 48.11 3i01 h GLY 523 CO -0.32 0.02 0.37 -2.00 0.00 0.00 0.00 176.54 174.62 3i01 h LEU 524 N -0.97 1.01 0.22 3.11 5.85 -1.53 0.24 115.31 123.24 3i01 h LEU 524 Ca -0.00 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3i01 h LEU 524 Cb 1.00 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3i01 h LEU 524 CO 0.00 0.86 -0.43 0.50 -0.34 0.00 0.00 178.44 179.03 3i01 h LYS 525 N 1.09 -0.71 -0.54 1.25 3.64 -0.60 0.41 116.57 121.11 3i01 h LYS 525 Ca 0.27 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3i01 h LYS 525 Cb 0.11 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3i01 h LYS 525 CO -0.03 -0.47 0.11 0.78 -2.27 0.00 0.00 179.45 177.56 3i01 h GLY 526 N -0.74 0.95 0.18 5.01 0.00 -1.04 0.26 103.07 107.69 3i01 h GLY 526 Ca -0.00 -0.61 0.06 0.00 0.00 0.00 0.00 47.33 46.77 3i01 h GLY 526 CO -0.19 0.57 -0.26 -2.75 0.00 0.00 0.00 176.54 173.92 3i01 h PHE 527 N 0.77 -0.68 0.00 5.60 3.57 -0.39 -1.29 116.94 124.51 3i01 h PHE 527 Ca 0.17 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 3i01 h PHE 527 Cb 0.38 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3i01 h PHE 527 CO 0.03 -0.33 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.39 3i01 h LEU 528 N -0.29 0.00 -0.27 0.59 3.38 0.23 -2.28 115.31 116.66 3i01 h LEU 528 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3i01 h LEU 528 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i01 h LEU 528 CO -0.36 0.32 0.14 0.50 0.09 0.00 0.00 178.44 179.12 3i01 h LYS 529 N 0.00 0.39 -0.63 1.13 3.64 -0.00 -2.76 116.57 118.34 3i01 h LYS 529 Ca -0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3i01 h LYS 529 Cb 0.64 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3i01 h LYS 529 CO 0.04 0.36 0.13 -0.09 -2.27 0.00 0.00 179.45 177.62 3i01 h ARG 530 N 0.32 1.03 -0.36 1.90 2.43 -0.85 -2.36 114.38 116.48 3i01 h ARG 530 Ca 0.09 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 3i01 h ARG 530 Cb 0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3i01 h ARG 530 CO -0.01 0.94 0.11 -0.07 -1.51 0.00 0.00 179.97 179.43 3i01 h LEU 531 N 0.94 0.52 0.00 3.80 3.38 -1.42 -2.81 115.31 119.73 3i01 h LEU 531 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i01 h LEU 531 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3i01 h LEU 531 CO 0.01 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 3i01 n GLY 532 N -0.63 -0.96 0.85 0.83 0.00 -0.91 -2.30 105.19 102.06 3i01 n GLY 532 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3i01 n GLY 532 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i01 n GLU 533 N -1.47 2.14 -1.74 1.61 1.02 -1.06 -4.77 120.64 116.37 3i01 n GLU 533 Ca 0.04 -1.68 -0.32 0.00 -0.02 0.00 0.00 57.16 55.17 3i01 n GLU 533 Cb 0.16 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.15 3i01 n GLU 533 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i01 s GLY 534 N -1.74 1.94 -0.45 0.62 0.00 -0.97 -4.91 107.32 101.81 3i01 s GLY 534 Ca 0.34 0.32 -0.41 0.00 0.00 0.00 0.00 44.72 44.98 3i01 s GLY 534 CO 0.30 0.65 1.67 0.00 0.00 0.00 0.00 173.10 175.72 3i01 n ALA 535 N -2.63 -0.50 -1.18 3.20 0.00 -1.26 -2.13 120.51 116.00 3i01 n ALA 535 Ca 0.09 0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 3i01 n ALA 535 Cb 0.53 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 5.14 -4.64 -4.49 0.00 3.02 -1.26 -4.94 115.26 108.09 3i01 n ASN 536 Ca 0.38 0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.66 3i01 n ASN 536 Cb -0.04 -2.69 -0.03 0.00 -0.61 0.00 0.00 39.78 36.40 3i01 n ASN 536 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i01 s ILE 537 N -1.94 4.36 -0.15 2.41 -1.09 -0.91 -4.82 121.20 119.07 3i01 s ILE 537 Ca 0.00 -1.03 -0.03 0.00 -2.23 0.00 0.00 60.65 57.37 3i01 s ILE 537 Cb 0.00 -4.86 -0.24 0.00 -1.58 0.00 0.00 42.46 35.78 3i01 s ILE 537 CO 0.00 -1.66 0.25 -0.62 -1.23 0.00 0.00 174.94 171.68 3i01 n GLU 538 N 7.62 0.73 -0.33 2.79 1.02 -1.26 -4.70 120.64 126.51 3i01 n GLU 538 Ca 0.21 0.23 -0.03 0.00 -0.02 0.00 0.00 57.16 57.56 3i01 n GLU 538 Cb 0.49 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 3i01 n GLU 538 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3i01 n ILE 539 N -3.38 -0.47 0.00 -3.67 0.13 -1.26 -4.98 119.36 105.72 3i01 n ILE 539 Ca -0.34 1.99 0.00 0.00 -1.10 0.00 0.00 62.75 63.30 3i01 n ILE 539 Cb 1.04 -2.59 0.00 0.00 -0.84 0.00 0.00 39.64 37.25 3i01 n ILE 539 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i01 n GLY 540 N -1.36 1.91 3.71 4.50 0.00 -1.26 -5.08 105.19 107.61 3i01 n GLY 540 Ca 0.07 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 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 4.21 0.61 0.99 1.43 -1.26 -4.81 118.68 119.85 3i01 s LEU 541 Ca 0.00 0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 3i01 s LEU 541 Cb 0.00 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 3i01 s LEU 541 CO 0.00 0.10 0.95 -2.16 0.23 0.00 0.00 176.35 175.47 3i01 s PRO 542 N 0.60 3.11 0.41 1.29 0.04 -1.26 -4.32 135.00 134.86 3i01 s PRO 542 Ca 0.13 0.27 0.16 0.00 0.04 0.00 0.00 61.00 61.60 3i01 s PRO 542 Cb -0.13 -2.19 0.87 0.00 0.04 0.00 0.00 34.50 33.09 3i01 s PRO 542 CO 0.02 -0.68 1.87 -1.35 0.04 0.00 0.00 177.00 176.90 3i01 h PRO 543 N -0.26 0.00 -5.04 0.56 0.11 -1.78 -3.43 132.00 122.16 3i01 h PRO 543 Ca -0.45 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.06 3i01 h PRO 543 Cb 1.24 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.02 3i01 h PRO 543 CO 0.62 0.31 -0.85 0.08 -0.21 0.00 0.00 178.00 177.95 3i01 s VAL 544 N -4.15 1.61 -0.29 3.15 1.01 -1.14 -4.48 120.40 116.11 3i01 s VAL 544 Ca -0.02 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3i01 s VAL 544 Cb 0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3i01 s VAL 544 CO 0.69 0.46 0.19 -0.36 0.00 0.00 0.00 175.10 176.08 3i01 s PHE 545 N 0.42 3.21 -0.48 5.22 0.40 -0.19 -4.72 117.98 121.84 3i01 s PHE 545 Ca -0.15 -0.05 -0.21 0.00 -0.60 0.00 0.00 56.93 55.92 3i01 s PHE 545 Cb -0.16 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.01 3i01 s PHE 545 CO 0.06 -0.24 0.72 -1.58 0.70 0.00 0.00 175.22 174.88 3i01 s HIS 546 N 1.73 2.99 -2.80 0.36 2.46 -1.26 -0.05 115.29 118.72 3i01 s HIS 546 Ca 0.07 -0.11 0.25 0.00 0.47 0.00 0.00 55.06 55.73 3i01 s HIS 546 Cb -0.16 -3.59 0.33 0.00 -0.13 0.00 0.00 32.58 29.03 3i01 s HIS 546 CO 0.10 -1.02 1.33 -1.33 -2.47 0.00 0.00 174.74 171.35 3i01 n MET 547 N 6.56 2.08 0.00 2.88 2.81 0.08 -2.51 117.12 129.02 3i01 n MET 547 Ca -0.01 -1.65 0.00 0.00 -1.81 0.00 0.00 57.70 54.23 3i01 n MET 547 Cb 0.47 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.33 0.65 0.97 3.03 0.00 -1.24 -4.70 105.19 105.21 3i01 n GLY 548 Ca 0.14 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 3i01 n GLY 548 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i01 n SER 549 N 0.00 -0.16 -0.17 1.61 3.41 -1.26 -1.47 113.62 115.57 3i01 n SER 549 Ca 0.00 -1.06 -0.10 0.00 -0.26 0.00 0.00 58.87 57.45 3i01 n SER 549 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3i01 n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i01 h VAL 551 N 0.79 1.24 0.00 0.00 -1.51 -1.93 0.10 116.25 114.93 3i01 h VAL 551 Ca 0.14 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3i01 h VAL 551 Cb 0.58 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.00 3i01 h VAL 551 CO 0.04 0.28 0.00 0.47 -1.23 0.00 0.00 177.57 177.13 3i01 n ASP 552 N -4.33 0.00 0.16 4.19 8.00 -0.74 -0.83 116.55 123.00 3i01 n ASP 552 Ca 0.07 0.02 0.18 0.00 0.71 0.00 0.00 54.79 55.77 3i01 n ASP 552 Cb 0.13 -0.02 0.79 0.00 -0.02 0.00 0.00 41.12 42.00 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 0.00 -0.04 -2.24 2.35 -0.73 -1.94 115.58 112.98 3i01 h ASN 553 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3i01 h ASN 553 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3i01 h ASN 553 CO 0.00 0.00 -0.05 0.77 -1.65 0.00 0.00 177.43 176.50 3i01 h SER 554 N 0.00 0.21 -0.83 5.81 4.64 -1.21 -2.08 113.55 120.08 3i01 h SER 554 Ca 0.12 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3i01 h SER 554 Cb 0.67 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 3i01 h SER 554 CO -0.00 0.30 0.53 0.03 -0.87 0.00 0.00 176.83 176.82 3i01 h ARG 555 N 0.22 0.99 -0.15 4.77 3.08 -1.58 -1.34 114.38 120.38 3i01 h ARG 555 Ca 0.05 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3i01 h ARG 555 Cb 0.24 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3i01 h ARG 555 CO 0.01 0.66 -0.19 0.00 -1.07 0.00 0.00 179.97 179.38 3i01 h ALA 556 N 1.35 1.40 -0.08 0.04 0.00 -1.45 -0.43 119.26 120.09 3i01 h ALA 556 Ca 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3i01 h ALA 556 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3i01 h ALA 556 CO -0.12 0.42 -0.01 0.28 0.00 0.00 0.00 179.25 179.82 3i01 h VAL 557 N 0.24 1.26 -0.88 0.00 2.07 -1.27 -0.49 116.25 117.17 3i01 h VAL 557 Ca 0.04 -0.83 0.22 0.00 0.82 0.00 0.00 66.70 66.96 3i01 h VAL 557 Cb 0.48 1.65 -0.13 0.00 -1.52 0.00 0.00 31.29 31.78 3i01 h VAL 557 CO 0.03 0.23 0.35 0.44 0.02 0.00 0.00 177.57 178.64 3i01 h ASP 558 N -0.15 0.24 -0.02 0.57 3.32 -1.04 0.42 116.42 119.76 3i01 h ASP 558 Ca 0.02 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3i01 h ASP 558 Cb 0.37 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3i01 h ASP 558 CO 0.01 -0.04 0.00 0.25 -1.72 0.00 0.00 179.24 177.74 3i01 h LEU 559 N 0.35 0.04 -0.61 1.55 5.85 -0.76 -1.90 115.31 119.82 3i01 h LEU 559 Ca 0.55 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 59.12 3i01 h LEU 559 Cb 1.07 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 3i01 h LEU 559 CO -0.56 0.28 0.21 0.25 -0.34 0.00 0.00 178.44 178.29 3i01 h LEU 560 N -0.21 0.18 0.59 2.25 5.85 -0.24 -1.04 115.31 122.69 3i01 h LEU 560 Ca 0.01 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3i01 h LEU 560 Cb 0.26 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.38 3i01 h LEU 560 CO 0.00 0.10 -0.28 0.24 -0.34 0.00 0.00 178.44 178.16 3i01 h MET 561 N 0.37 -0.76 -0.94 1.25 2.86 -0.15 0.11 114.93 117.67 3i01 h MET 561 Ca 0.32 0.05 0.27 0.00 -2.06 0.00 0.00 59.70 58.28 3i01 h MET 561 Cb 0.42 0.17 -0.14 0.00 0.06 0.00 0.00 31.60 32.11 3i01 h MET 561 CO -0.33 -0.48 0.39 0.00 1.06 0.00 0.00 176.91 177.55 3i01 h ALA 562 N -0.47 1.58 -0.39 6.32 0.00 -1.27 -0.10 119.26 124.93 3i01 h ALA 562 Ca -0.08 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3i01 h ALA 562 Cb 0.63 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3i01 h ALA 562 CO 0.13 -0.49 -0.18 0.52 0.00 0.00 0.00 179.25 179.23 3i01 h MET 563 N 0.28 0.80 -0.47 0.00 2.07 -0.79 -2.09 114.93 114.73 3i01 h MET 563 Ca 0.63 -0.35 -0.01 0.00 -2.07 0.00 0.00 59.70 57.91 3i01 h MET 563 Cb 1.34 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 31.02 3i01 h MET 563 CO -0.62 0.97 0.26 0.00 1.07 0.00 0.00 176.91 178.59 3i01 h ALA 564 N 0.81 0.60 -0.56 6.32 0.00 0.18 -2.14 119.26 124.47 3i01 h ALA 564 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i01 h ALA 564 Cb 0.72 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3i01 h ALA 564 CO 0.05 0.13 0.27 -0.91 0.00 0.00 0.00 179.25 178.79 3i01 h ASN 565 N 0.62 0.74 -0.61 0.00 2.35 -1.02 -1.50 115.58 116.16 3i01 h ASN 565 Ca 0.17 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 3i01 h ASN 565 Cb 0.05 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3i01 h ASN 565 CO -0.03 0.66 0.01 -0.78 -1.65 0.00 0.00 177.43 175.64 3i01 h ASP 566 N 0.76 1.05 0.59 5.81 -0.00 -1.29 -2.39 116.42 120.95 3i01 h ASP 566 Ca 0.19 -0.30 0.00 0.00 -0.00 0.00 0.00 57.03 56.93 3i01 h ASP 566 Cb 0.12 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.17 3i01 h ASP 566 CO -0.02 1.09 0.00 0.18 -0.00 0.00 0.00 179.24 180.49 3i01 n LEU 567 N -4.18 0.22 -3.58 2.28 4.77 -0.81 -4.93 117.00 110.77 3i01 n LEU 567 Ca 0.03 0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 56.35 3i01 n LEU 567 Cb 0.35 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 3i01 n LEU 567 CO 0.44 -0.34 0.12 0.61 -1.33 0.00 0.00 177.39 176.89 3i01 n GLY 568 N 0.03 -0.42 3.25 -0.72 0.00 -0.63 -5.03 105.19 101.68 3i01 n GLY 568 Ca 0.03 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.40 0.39 0.51 1.61 -7.23 -0.83 -5.04 120.40 106.42 3i01 s VAL 569 Ca 0.25 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 3i01 s VAL 569 Cb -0.11 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 3i01 s VAL 569 CO 0.76 -0.16 0.79 -0.62 -0.31 0.00 0.00 175.10 175.55 3i01 s ASP 570 N -3.21 5.81 0.38 4.85 3.68 -1.26 -4.49 116.67 122.43 3i01 s ASP 570 Ca 0.33 0.58 0.13 0.00 2.13 0.00 0.00 52.55 55.73 3i01 s ASP 570 Cb 0.07 -1.74 0.95 0.00 -1.45 0.00 0.00 42.92 40.75 3i01 s ASP 570 CO 0.10 -0.83 1.85 0.71 0.13 0.00 0.00 175.17 177.13 3i01 h THR 571 N 0.13 0.73 0.00 1.71 1.35 -1.91 -2.36 112.91 112.55 3i01 h THR 571 Ca -0.46 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3i01 h THR 571 Cb 1.25 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3i01 h THR 571 CO 0.60 0.10 0.01 -2.65 -0.25 0.00 0.00 175.52 173.33 3i01 n PRO 572 N -4.57 0.13 -0.05 4.72 -0.02 -1.24 -0.84 135.00 133.14 3i01 n PRO 572 Ca 0.19 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.43 3i01 n PRO 572 Cb 0.61 -1.96 0.20 0.00 -0.02 0.00 0.00 33.50 32.33 3i01 n PRO 572 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i01 n LYS 573 N -2.24 2.25 -3.16 -0.52 5.02 -0.89 -4.93 118.16 113.70 3i01 n LYS 573 Ca -0.01 -1.84 -0.39 0.00 -2.02 0.00 0.00 58.31 54.05 3i01 n LYS 573 Cb 0.04 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.87 5.09 -1.19 -0.18 1.01 -0.02 -4.88 120.40 118.37 3i01 s VAL 574 Ca 0.32 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 63.29 3i01 s VAL 574 Cb 0.21 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3i01 s VAL 574 CO 0.31 0.24 1.90 -2.65 0.00 0.00 0.00 175.10 174.90 3i01 n PRO 575 N 4.06 2.19 -4.15 2.72 -0.02 -1.26 -4.78 135.00 133.76 3i01 n PRO 575 Ca -0.03 -2.64 -0.19 0.00 -2.02 0.00 0.00 63.50 58.61 3i01 n PRO 575 Cb 0.51 -3.50 -0.16 0.00 -0.02 0.00 0.00 33.50 30.33 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 7.37 0.69 -0.04 6.00 5.36 -1.26 -1.61 117.98 134.49 3i01 s PHE 576 Ca 0.60 -0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 56.40 3i01 s PHE 576 Cb 0.04 -0.62 0.03 0.00 -0.34 0.00 0.00 43.02 42.13 3i01 s PHE 576 CO 0.10 -0.17 -0.00 0.08 -1.46 0.00 0.00 175.22 173.76 3i01 s VAL 577 N 0.84 0.27 0.21 3.12 1.01 -0.55 -4.30 120.40 120.99 3i01 s VAL 577 Ca -0.11 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 3i01 s VAL 577 Cb -0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 3i01 s VAL 577 CO 0.00 0.19 0.52 0.00 0.00 0.00 0.00 175.10 175.81 3i01 s ALA 578 N 1.29 3.60 -0.08 5.51 0.00 -0.89 -1.75 121.76 129.44 3i01 s ALA 578 Ca -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 3i01 s ALA 578 Cb -0.13 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.62 3i01 s ALA 578 CO -0.02 0.53 0.18 0.45 0.00 0.00 0.00 175.76 176.90 3i01 s SER 579 N -2.30 -0.18 -0.53 0.00 0.15 0.40 -0.34 113.70 110.90 3i01 s SER 579 Ca 0.45 0.38 0.04 0.00 0.70 0.00 0.00 55.95 57.53 3i01 s SER 579 Cb -0.12 0.30 0.16 0.00 -1.71 0.00 0.00 66.02 64.66 3i01 s SER 579 CO 0.21 -0.13 0.38 0.00 1.20 0.00 0.00 173.24 174.91 3i01 s ALA 580 N 0.90 2.47 0.60 5.45 0.00 0.43 -1.82 121.76 129.79 3i01 s ALA 580 Ca -0.07 -3.01 0.38 0.00 0.00 0.00 0.00 51.96 49.26 3i01 s ALA 580 Cb -0.08 -1.87 2.11 0.00 0.00 0.00 0.00 23.12 23.28 3i01 s ALA 580 CO -0.05 -2.04 2.30 -1.35 0.00 0.00 0.00 175.76 174.62 3i01 h PRO 581 N 5.75 0.00 -0.85 0.00 0.11 -1.82 -1.92 132.00 133.27 3i01 h PRO 581 Ca 0.17 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.95 3i01 h PRO 581 Cb 0.85 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.56 3i01 h PRO 581 CO 0.52 0.01 -1.16 0.39 -0.21 0.00 0.00 178.00 177.56 3i01 n GLU 582 N -3.39 1.42 -2.04 1.05 1.02 -1.26 -3.74 120.64 113.69 3i01 n GLU 582 Ca -0.03 -3.38 -0.35 0.00 -0.02 0.00 0.00 57.16 53.38 3i01 n GLU 582 Cb 0.10 -1.39 0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3i01 n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i01 s ALA 583 N -3.34 2.56 0.02 0.62 0.00 -1.08 -2.67 121.76 117.88 3i01 s ALA 583 Ca 0.28 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3i01 s ALA 583 Cb 0.42 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3i01 s ALA 583 CO 0.01 -1.08 0.00 -0.12 0.00 0.00 0.00 175.76 174.57 3i01 n MET 584 N -1.63 0.00 -1.49 0.00 0.00 -1.26 -4.68 117.12 108.06 3i01 n MET 584 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.52 3i01 n MET 584 Cb 0.50 0.00 0.09 0.00 0.00 0.00 0.00 33.22 33.81 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 -4.69 4.59 0.29 6.12 1.04 -1.26 -4.89 113.70 114.90 3i01 s SER 585 Ca 0.00 1.45 0.03 0.00 0.48 0.00 0.00 55.95 57.91 3i01 s SER 585 Cb 0.00 -2.21 0.62 0.00 0.10 0.00 0.00 66.02 64.53 3i01 s SER 585 CO 0.00 -1.93 1.81 1.23 0.98 0.00 0.00 173.24 175.33 3i01 h GLY 586 N -1.06 1.70 0.65 7.32 0.00 -1.93 -2.00 103.07 107.75 3i01 h GLY 586 Ca -0.46 -0.40 0.08 0.00 0.00 0.00 0.00 47.33 46.55 3i01 h GLY 586 CO 0.57 0.07 0.59 0.50 0.00 0.00 0.00 176.54 178.28 3i01 h LYS 587 N 0.90 1.01 0.00 4.80 1.57 -1.83 0.19 116.57 123.21 3i01 h LYS 587 Ca 0.53 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 59.11 3i01 h LYS 587 Cb 0.65 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3i01 h LYS 587 CO -0.31 0.67 -0.68 0.00 -0.57 0.00 0.00 179.45 178.56 3i01 h ALA 588 N 1.46 0.77 0.19 3.86 0.00 -1.74 -0.50 119.26 123.30 3i01 h ALA 588 Ca 0.43 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3i01 h ALA 588 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i01 h ALA 588 CO -0.20 0.85 -0.09 0.00 0.00 0.00 0.00 179.25 179.80 3i01 h ALA 589 N 1.32 -0.26 -0.22 0.00 0.00 -0.07 -1.58 119.26 118.45 3i01 h ALA 589 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i01 h ALA 589 Cb 1.28 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 3i01 h ALA 589 CO 0.09 -0.58 -0.08 0.00 0.00 0.00 0.00 179.25 178.67 3i01 h ALA 590 N 0.41 0.11 -0.40 0.00 0.00 -0.82 -2.36 119.26 116.20 3i01 h ALA 590 Ca -0.03 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 590 Cb 0.29 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3i01 h ALA 590 CO 0.04 -0.50 -0.15 0.82 0.00 0.00 0.00 179.25 179.47 3i01 h ILE 591 N -0.04 0.51 0.00 0.00 2.04 -1.09 0.34 117.51 119.27 3i01 h ILE 591 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 3i01 h ILE 591 Cb 0.22 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3i01 h ILE 591 CO -0.26 0.00 -0.10 1.23 0.00 0.00 0.00 178.15 179.02 3i01 h GLY 592 N -0.06 0.00 1.42 5.37 0.00 -1.15 -1.61 103.07 107.03 3i01 h GLY 592 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.25 3i01 h GLY 592 CO -0.44 0.00 -1.15 -0.84 0.00 0.00 0.00 176.54 174.11 3i01 h THR 593 N 0.00 1.36 0.00 4.70 2.02 -0.75 -2.61 112.91 117.64 3i01 h THR 593 Ca -0.00 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.60 3i01 h THR 593 Cb 0.21 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 3i01 h THR 593 CO 0.01 0.77 0.00 4.11 0.37 0.00 0.00 175.52 180.79 3i01 h TRP 594 N 0.22 0.00 -0.28 3.16 -0.00 -0.50 -1.47 115.95 117.08 3i01 h TRP 594 Ca -0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 58.89 58.56 3i01 h TRP 594 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.98 3i01 h TRP 594 CO 0.09 0.00 -0.56 -1.49 -0.00 0.00 0.00 178.44 176.48 3i01 h TRP 595 N 0.00 1.10 -0.35 0.12 -0.00 -1.21 -2.05 115.95 113.58 3i01 h TRP 595 Ca 0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 58.89 58.48 3i01 h TRP 595 Cb 0.79 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.73 3i01 h TRP 595 CO 0.00 1.23 0.17 0.28 -0.00 0.00 0.00 178.44 180.12 3i01 h VAL 596 N 0.66 1.16 -0.01 1.49 2.07 -1.21 -2.04 116.25 118.37 3i01 h VAL 596 Ca 0.01 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3i01 h VAL 596 Cb 1.17 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3i01 h VAL 596 CO 0.12 0.17 -0.07 0.28 0.02 0.00 0.00 177.57 178.09 3i01 h SER 597 N 0.42 0.01 -0.12 0.57 0.02 -1.22 -2.20 113.55 111.04 3i01 h SER 597 Ca 0.12 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3i01 h SER 597 Cb 0.12 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3i01 h SER 597 CO -0.01 0.08 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 3i01 n LEU 598 N -4.45 1.52 0.00 5.07 4.77 -0.78 -4.92 117.00 118.21 3i01 n LEU 598 Ca -0.03 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3i01 n LEU 598 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3i01 n LEU 598 CO 0.35 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3i01 n GLY 599 N 1.13 1.02 3.39 -0.72 0.00 -0.83 -4.64 105.19 104.54 3i01 n GLY 599 Ca 0.17 0.00 -0.32 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 2.76 0.18 1.61 1.01 -0.80 -3.69 120.40 119.47 3i01 s VAL 600 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.85 3i01 s VAL 600 Cb 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 3i01 s VAL 600 CO 0.00 0.57 1.55 -2.84 0.00 0.00 0.00 175.10 174.38 3i01 s PRO 601 N -0.29 4.22 -0.26 2.72 0.02 -1.26 -2.65 135.00 137.50 3i01 s PRO 601 Ca 0.01 2.35 0.01 0.00 0.02 0.00 0.00 61.00 63.39 3i01 s PRO 601 Cb -0.13 -3.15 0.08 0.00 0.02 0.00 0.00 34.50 31.32 3i01 s PRO 601 CO 0.03 -0.58 0.01 0.99 -0.33 0.00 0.00 177.00 177.11 3i01 s THR 602 N 0.99 1.40 0.14 0.99 2.01 0.24 -2.09 115.64 119.33 3i01 s THR 602 Ca 0.69 -1.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 3i01 s THR 602 Cb -0.43 -1.83 -0.07 0.00 0.01 0.00 0.00 72.50 70.17 3i01 s THR 602 CO 0.33 -0.32 1.21 -2.28 -0.69 0.00 0.00 174.62 172.87 3i01 s HIS 603 N 1.41 3.42 -0.11 4.92 2.46 0.54 -1.15 115.29 126.79 3i01 s HIS 603 Ca 0.01 1.35 0.01 0.00 0.47 0.00 0.00 55.06 56.90 3i01 s HIS 603 Cb -0.18 -3.45 0.02 0.00 -0.13 0.00 0.00 32.58 28.84 3i01 s HIS 603 CO -0.11 -1.31 -0.14 0.08 -2.47 0.00 0.00 174.74 170.79 3i01 s VAL 604 N 0.36 1.40 -1.65 0.89 1.01 0.04 -0.43 120.40 122.02 3i01 s VAL 604 Ca 0.55 -0.57 0.15 0.00 0.00 0.00 0.00 61.98 62.11 3i01 s VAL 604 Cb -0.32 -1.30 0.50 0.00 0.00 0.00 0.00 36.38 35.26 3i01 s VAL 604 CO 0.34 0.42 1.39 0.61 0.00 0.00 0.00 175.10 177.86 3i01 n GLY 605 N 4.32 1.74 3.01 4.51 0.00 -0.75 -2.50 105.19 115.52 3i01 n GLY 605 Ca -0.18 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.51 0.41 -0.08 2.61 -4.23 -1.26 -4.38 115.64 107.20 3i01 s THR 606 Ca 0.36 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.90 3i01 s THR 606 Cb 0.21 -0.44 -0.03 0.00 1.34 0.00 0.00 72.50 73.58 3i01 s THR 606 CO 0.21 -0.22 0.77 -0.32 -0.54 0.00 0.00 174.62 174.52 3i01 s MET 607 N -1.01 4.42 0.73 3.99 1.75 -1.26 -4.87 119.30 123.05 3i01 s MET 607 Ca -0.06 0.99 -0.11 0.00 -1.25 0.00 0.00 55.69 55.25 3i01 s MET 607 Cb -0.07 -3.48 0.03 0.00 2.84 0.00 0.00 34.83 34.15 3i01 s MET 607 CO 0.00 -0.04 1.09 -2.14 -0.65 0.00 0.00 175.02 173.28 3i01 s PRO 608 N 1.13 2.68 -1.30 4.11 0.02 -1.26 -4.93 135.00 135.46 3i01 s PRO 608 Ca 0.40 0.58 -0.17 0.00 0.02 0.00 0.00 61.00 61.83 3i01 s PRO 608 Cb -0.18 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.36 3i01 s PRO 608 CO 0.18 -1.19 2.07 -0.35 -0.33 0.00 0.00 177.00 177.39 3i01 n PRO 609 N -3.13 2.63 0.00 5.54 -0.04 -1.26 -4.32 135.00 134.42 3i01 n PRO 609 Ca 0.07 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 3i01 n PRO 609 Cb 0.56 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 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 5.64 0.00 0.32 0.52 0.24 -1.23 -3.71 118.33 120.11 3i01 n VAL 610 Ca 0.51 -0.20 0.14 0.00 -2.04 0.00 0.00 64.34 62.74 3i01 n VAL 610 Cb 0.41 1.20 0.43 0.00 -1.47 0.00 0.00 33.84 34.41 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 0.00 7.34 5.08 -1.72 -2.84 114.58 122.44 3i01 h GLU 611 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i01 h GLU 611 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3i01 h GLU 611 CO 0.00 0.00 0.11 0.41 -1.00 0.00 0.00 179.01 178.53 3i01 n GLY 612 N 0.61 -0.64 2.76 -3.84 0.00 0.17 -4.40 105.19 99.86 3i01 n GLY 612 Ca 0.03 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3i01 n GLY 612 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i01 s SER 613 N -3.44 2.85 0.49 1.61 0.15 -1.07 -4.88 113.70 109.41 3i01 s SER 613 Ca -0.01 -0.77 0.15 0.00 0.70 0.00 0.00 55.95 56.02 3i01 s SER 613 Cb 0.03 -0.64 1.15 0.00 -1.71 0.00 0.00 66.02 64.85 3i01 s SER 613 CO 0.11 -0.28 2.08 0.44 1.20 0.00 0.00 173.24 176.79 3i01 h ASP 614 N 8.22 0.00 0.50 5.45 3.32 -1.84 0.47 116.42 132.54 3i01 h ASP 614 Ca -0.17 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3i01 h ASP 614 Cb 1.12 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3i01 h ASP 614 CO 0.34 0.08 -0.24 0.25 -1.72 0.00 0.00 179.24 177.95 3i01 h LEU 615 N 0.00 -0.57 -0.14 1.55 6.46 -1.94 -1.07 115.31 119.61 3i01 h LEU 615 Ca 0.00 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 3i01 h LEU 615 Cb 0.14 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 3i01 h LEU 615 CO 0.01 -0.15 -0.22 0.40 -0.62 0.00 0.00 178.44 177.86 3i01 h ILE 616 N -1.12 0.46 -0.97 4.05 1.08 -1.88 -1.10 117.51 118.03 3i01 h ILE 616 Ca -0.07 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.64 3i01 h ILE 616 Cb 0.56 0.46 -0.12 0.00 -3.07 0.00 0.00 36.82 34.65 3i01 h ILE 616 CO 0.11 0.00 0.53 0.22 -0.69 0.00 0.00 178.15 178.32 3i01 h TYR 617 N -0.27 0.91 -0.02 1.37 5.03 -0.97 -0.62 116.97 122.39 3i01 h TYR 617 Ca 0.10 0.04 -0.21 0.00 2.58 0.00 0.00 58.73 61.24 3i01 h TYR 617 Cb 0.43 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.46 3i01 h TYR 617 CO -0.33 0.04 -0.87 1.03 -1.32 0.00 0.00 178.16 176.71 3i01 h SER 618 N 0.53 0.48 -0.34 -2.11 0.87 -0.10 -1.62 113.55 111.25 3i01 h SER 618 Ca 0.61 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3i01 h SER 618 Cb 1.15 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 3i01 h SER 618 CO -0.49 1.15 0.21 0.40 -0.53 0.00 0.00 176.83 177.57 3i01 h ILE 619 N 0.23 1.11 -0.35 2.23 2.04 -0.04 0.29 117.51 123.02 3i01 h ILE 619 Ca -0.06 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 3i01 h ILE 619 Cb 1.49 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3i01 h ILE 619 CO 0.15 0.11 -0.24 -0.07 0.00 0.00 0.00 178.15 178.10 3i01 h LEU 620 N 0.44 0.72 0.00 1.44 3.38 -1.03 0.40 115.31 120.66 3i01 h LEU 620 Ca 0.12 -0.26 -0.35 0.00 0.09 0.00 0.00 57.88 57.49 3i01 h LEU 620 Cb 0.00 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3i01 h LEU 620 CO -0.02 0.93 -2.31 0.35 0.09 0.00 0.00 178.44 177.48 3i01 n THR 621 N -4.11 1.30 0.02 0.22 -2.24 -0.62 -1.71 114.28 107.15 3i01 n THR 621 Ca -0.00 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3i01 n THR 621 Cb 0.43 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.70 0.00 -0.01 -0.78 6.02 0.72 -4.55 117.38 116.08 3i01 n GLN 622 Ca -0.31 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.61 3i01 n GLN 622 Cb 1.12 -0.49 0.10 0.00 1.02 0.00 0.00 30.24 31.98 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 1.30 -0.41 5.09 1.08 -0.68 -2.47 117.51 121.43 3i01 h ILE 623 Ca 0.00 -1.60 0.11 0.00 -0.39 0.00 0.00 64.86 62.98 3i01 h ILE 623 Cb 0.55 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 3i01 h ILE 623 CO 0.00 0.50 0.29 0.00 -0.69 0.00 0.00 178.15 178.25 3i01 h ALA 624 N 1.08 2.29 0.00 1.87 0.00 -1.14 0.82 119.26 124.18 3i01 h ALA 624 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i01 h ALA 624 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i01 h ALA 624 CO 0.08 -0.40 0.00 0.66 0.00 0.00 0.00 179.25 179.59 3i01 h SER 625 N 0.07 0.00 0.26 0.00 4.64 -1.09 0.61 113.55 118.04 3i01 h SER 625 Ca 0.19 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.17 3i01 h SER 625 Cb 0.67 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3i01 h SER 625 CO -0.02 0.00 -1.83 0.44 -0.87 0.00 0.00 176.83 174.56 3i01 h ASP 626 N 0.00 0.38 0.00 4.97 3.32 -0.95 -3.23 116.42 120.91 3i01 h ASP 626 Ca 0.00 -0.72 -0.14 0.00 0.02 0.00 0.00 57.03 56.19 3i01 h ASP 626 Cb 0.42 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3i01 h ASP 626 CO 0.00 1.63 -0.82 0.58 -1.72 0.00 0.00 179.24 178.91 3i01 h VAL 627 N 0.07 0.95 0.00 -1.35 2.07 -0.94 -3.43 116.25 113.62 3i01 h VAL 627 Ca -0.36 -2.01 -0.37 0.00 0.82 0.00 0.00 66.70 64.79 3i01 h VAL 627 Cb 2.04 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 33.82 3i01 h VAL 627 CO 0.12 0.32 -2.38 -1.22 0.02 0.00 0.00 177.57 174.43 3i01 n TYR 628 N -4.51 0.05 0.00 1.57 4.02 0.20 -5.00 117.16 113.48 3i01 n TYR 628 Ca -0.22 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 3i01 n TYR 628 Cb 0.55 -1.01 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 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 1.83 3.03 3.97 2.72 0.00 -0.51 -4.33 105.19 111.89 3i01 n GLY 629 Ca -0.35 0.00 -0.19 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 -2.74 1.99 -0.13 -0.02 0.00 -1.23 -4.57 107.32 100.61 3i01 s GLY 630 Ca 0.00 -1.80 -0.31 0.00 0.00 0.00 0.00 44.72 42.61 3i01 s GLY 630 CO 0.00 -1.63 1.04 -2.52 0.00 0.00 0.00 173.10 169.99 3i01 s TYR 631 N -2.49 -0.28 -0.03 1.90 -0.85 -1.08 -2.44 117.35 112.07 3i01 s TYR 631 Ca 0.53 0.34 -0.27 0.00 -0.52 0.00 0.00 57.07 57.15 3i01 s TYR 631 Cb -0.06 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 3i01 s TYR 631 CO 0.32 -0.34 0.87 -0.06 -1.52 0.00 0.00 175.55 174.82 3i01 s PHE 632 N -1.95 3.62 -0.47 -3.49 0.40 -0.69 0.82 117.98 116.22 3i01 s PHE 632 Ca 0.03 1.52 -0.10 0.00 -0.60 0.00 0.00 56.93 57.79 3i01 s PHE 632 Cb -0.01 -3.00 0.12 0.00 0.51 0.00 0.00 43.02 40.64 3i01 s PHE 632 CO -0.04 0.02 0.35 0.42 0.70 0.00 0.00 175.22 176.67 3i01 s ILE 633 N 0.98 4.27 -0.31 0.64 1.01 -0.30 -4.50 121.20 123.00 3i01 s ILE 633 Ca 0.46 -1.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.16 3i01 s ILE 633 Cb -0.20 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3i01 s ILE 633 CO 0.24 -0.77 0.59 -0.36 0.00 0.00 0.00 174.94 174.64 3i01 s PHE 634 N 1.38 3.21 -0.29 3.97 2.99 -1.26 -0.78 117.98 127.20 3i01 s PHE 634 Ca 0.05 0.51 -0.00 0.00 0.00 0.00 0.00 56.93 57.50 3i01 s PHE 634 Cb -0.26 -2.93 0.18 0.00 0.00 0.00 0.00 43.02 40.01 3i01 s PHE 634 CO -0.00 -0.46 0.57 -2.00 -0.00 0.00 0.00 175.22 173.33 3i01 s GLU 635 N 2.52 0.54 0.13 0.44 2.56 -1.04 -3.65 118.70 120.20 3i01 s GLU 635 Ca 0.23 0.88 0.12 0.00 0.00 0.00 0.00 54.97 56.20 3i01 s GLU 635 Cb -0.15 0.39 -0.13 0.00 2.00 0.00 0.00 34.13 36.25 3i01 s GLU 635 CO 0.12 -0.69 1.16 0.52 -0.56 0.00 0.00 175.26 175.81 3i01 h MET 636 N 8.02 0.00 -6.38 4.30 2.86 -1.82 -3.37 114.93 118.55 3i01 h MET 636 Ca -0.20 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.87 3i01 h MET 636 Cb 1.16 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.78 3i01 h MET 636 CO 0.25 0.68 1.19 0.34 1.06 0.00 0.00 176.91 180.42 3i01 s ASP 637 N -6.41 6.09 0.51 1.22 3.68 -1.26 -4.93 116.67 115.58 3i01 s ASP 637 Ca 0.00 1.11 0.28 0.00 2.13 0.00 0.00 52.55 56.08 3i01 s ASP 637 Cb 0.09 -2.53 1.35 0.00 -1.45 0.00 0.00 42.92 40.37 3i01 s ASP 637 CO 0.80 -1.58 2.01 1.55 0.13 0.00 0.00 175.17 178.08 3i01 h PRO 638 N 11.90 0.00 0.09 4.34 0.13 -1.92 0.27 132.00 146.80 3i01 h PRO 638 Ca -0.31 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.53 3i01 h PRO 638 Cb 1.14 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.30 3i01 h PRO 638 CO 1.05 0.13 -1.19 0.37 -0.23 0.00 0.00 178.00 178.13 3i01 h GLN 639 N 0.00 0.65 0.06 0.86 5.75 -1.91 -1.27 115.11 119.25 3i01 h GLN 639 Ca -0.00 -0.82 -0.00 0.00 -0.15 0.00 0.00 58.65 57.68 3i01 h GLN 639 Cb 0.46 0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.27 3i01 h GLN 639 CO 0.02 1.37 -0.03 0.28 -2.65 0.00 0.00 178.83 177.82 3i01 h VAL 640 N 0.32 1.11 -0.82 2.39 2.07 -1.89 -2.82 116.25 116.62 3i01 h VAL 640 Ca -0.17 -0.57 0.19 0.00 0.82 0.00 0.00 66.70 66.97 3i01 h VAL 640 Cb 1.86 1.49 -0.15 0.00 -1.52 0.00 0.00 31.29 32.97 3i01 h VAL 640 CO 0.23 0.14 -0.05 0.00 0.02 0.00 0.00 177.57 177.92 3i01 h ALA 641 N 0.60 0.79 -0.40 1.67 0.00 -0.48 0.24 119.26 121.68 3i01 h ALA 641 Ca -0.01 0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3i01 h ALA 641 Cb 0.29 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i01 h ALA 641 CO 0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 179.25 178.59 3i01 h ALA 642 N 1.79 0.83 -0.25 0.00 0.00 -1.20 0.18 119.26 120.62 3i01 h ALA 642 Ca 0.44 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3i01 h ALA 642 Cb 0.79 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i01 h ALA 642 CO -0.76 0.64 -0.30 -0.09 0.00 0.00 0.00 179.25 178.74 3i01 h ARG 643 N 0.71 0.51 -0.00 0.00 2.43 -0.97 -0.62 114.38 116.43 3i01 h ARG 643 Ca 0.10 -0.21 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 3i01 h ARG 643 Cb 0.75 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3i01 h ARG 643 CO 0.06 0.75 -0.45 0.87 -1.51 0.00 0.00 179.97 179.70 3i01 h LYS 644 N 0.44 0.00 -0.22 0.20 1.57 0.12 -1.54 116.57 117.14 3i01 h LYS 644 Ca 0.06 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 3i01 h LYS 644 Cb 0.74 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3i01 h LYS 644 CO 0.06 0.45 -0.48 0.82 -0.57 0.00 0.00 179.45 179.72 3i01 h ILE 645 N 0.00 1.31 -0.81 1.86 2.04 -0.66 -2.19 117.51 119.06 3i01 h ILE 645 Ca -0.00 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 3i01 h ILE 645 Cb 0.79 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 3i01 h ILE 645 CO 0.06 0.54 0.42 -0.07 0.00 0.00 0.00 178.15 179.09 3i01 h LEU 646 N 0.44 1.03 -1.21 1.44 3.38 -0.98 0.01 115.31 119.42 3i01 h LEU 646 Ca 0.00 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3i01 h LEU 646 Cb 1.09 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3i01 h LEU 646 CO 0.11 0.85 0.56 0.44 0.09 0.00 0.00 178.44 180.49 3i01 h ASP 647 N 1.13 0.85 0.23 -0.43 3.32 -1.27 -0.16 116.42 120.09 3i01 h ASP 647 Ca 0.28 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.12 3i01 h ASP 647 Cb 0.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3i01 h ASP 647 CO -0.04 0.55 -0.85 0.00 -1.72 0.00 0.00 179.24 177.18 3i01 h ALA 648 N 1.53 0.43 -0.12 3.45 0.00 -0.69 -0.05 119.26 123.81 3i01 h ALA 648 Ca 0.36 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3i01 h ALA 648 Cb 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i01 h ALA 648 CO -0.13 0.77 -0.02 -0.07 0.00 0.00 0.00 179.25 179.80 3i01 h LEU 649 N 0.30 0.22 -0.79 0.00 3.38 -0.96 -3.12 115.31 114.33 3i01 h LEU 649 Ca -0.06 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3i01 h LEU 649 Cb 1.46 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 3i01 h LEU 649 CO 0.15 0.52 0.38 -0.08 0.09 0.00 0.00 178.44 179.51 3i01 h GLU 650 N -0.09 1.14 -0.61 1.13 4.22 -0.98 -0.40 114.58 118.98 3i01 h GLU 650 Ca 0.03 -0.17 0.12 0.00 0.08 0.00 0.00 59.36 59.43 3i01 h GLU 650 Cb 0.42 -0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 3i01 h GLU 650 CO 0.01 0.88 -0.10 -0.92 -2.18 0.00 0.00 179.01 176.70 3i01 h TYR 651 N 1.12 -0.23 -0.21 0.92 3.20 -1.08 0.92 116.97 121.61 3i01 h TYR 651 Ca 0.27 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 62.03 3i01 h TYR 651 Cb 0.11 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3i01 h TYR 651 CO 0.01 -0.23 -0.51 0.00 -1.64 0.00 0.00 178.16 175.78 3i01 h ARG 652 N 0.03 0.72 -0.15 1.82 3.08 -1.25 -1.29 114.38 117.34 3i01 h ARG 652 Ca 0.30 -0.49 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 3i01 h ARG 652 Cb 0.48 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3i01 h ARG 652 CO -0.60 1.11 -0.31 1.79 -1.07 0.00 0.00 179.97 180.90 3i01 h THR 653 N 0.43 1.27 -0.15 2.04 1.35 -1.04 -2.41 112.91 114.39 3i01 h THR 653 Ca -0.01 -1.28 -0.02 0.00 -0.55 0.00 0.00 66.41 64.56 3i01 h THR 653 Cb 1.13 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 3i01 h THR 653 CO 0.11 0.39 0.02 -0.25 -0.25 0.00 0.00 175.52 175.55 3i01 h TRP 654 N 0.25 0.27 -0.29 4.73 7.01 -0.67 -1.89 115.95 125.36 3i01 h TRP 654 Ca 0.03 -0.04 -0.12 0.00 2.11 0.00 0.00 58.89 60.88 3i01 h TRP 654 Cb 0.67 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.65 3i01 h TRP 654 CO 0.01 0.43 -0.29 -0.22 -2.79 0.00 0.00 178.44 175.58 3i01 h LYS 655 N 0.04 0.71 -1.00 2.65 3.64 -1.11 -1.02 116.57 120.48 3i01 h LYS 655 Ca 0.05 -0.37 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 3i01 h LYS 655 Cb 0.30 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3i01 h LYS 655 CO 0.00 0.99 0.65 1.25 -2.27 0.00 0.00 179.45 180.08 3i01 h LEU 656 N 0.45 1.09 0.06 5.20 6.46 -1.53 0.24 115.31 127.28 3i01 h LEU 656 Ca 0.05 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3i01 h LEU 656 Cb 0.86 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 3i01 h LEU 656 CO 0.07 0.74 -0.03 1.23 -0.62 0.00 0.00 178.44 179.84 3i01 h GLY 657 N 1.26 -0.08 0.26 3.75 0.00 -1.03 -2.21 103.07 105.02 3i01 h GLY 657 Ca 0.40 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.88 3i01 h GLY 657 CO -0.13 -0.03 0.25 -2.08 0.00 0.00 0.00 176.54 174.56 3i01 h VAL 658 N -0.44 0.71 -0.34 4.60 2.07 -0.94 -2.24 116.25 119.68 3i01 h VAL 658 Ca -0.01 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3i01 h VAL 658 Cb 0.39 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3i01 h VAL 658 CO 0.01 0.08 -0.15 0.45 0.02 0.00 0.00 177.57 177.98 3i01 h HIS 659 N 0.42 0.67 -0.29 1.57 -0.00 -0.40 -1.01 115.15 116.11 3i01 h HIS 659 Ca 0.36 -0.12 -0.10 0.00 -0.00 0.00 0.00 60.37 60.50 3i01 h HIS 659 Cb 0.49 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 3i01 h HIS 659 CO -0.17 0.73 -0.22 0.87 -0.00 0.00 0.00 177.93 179.14 3i01 h LYS 660 N 0.55 0.66 -0.09 2.45 1.57 -1.29 -0.68 116.57 119.74 3i01 h LYS 660 Ca 0.09 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3i01 h LYS 660 Cb 0.58 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 3i01 h LYS 660 CO 0.04 0.92 -0.17 0.93 -0.57 0.00 0.00 179.45 180.60 3i01 h GLU 661 N 0.40 -0.22 -0.93 3.15 5.08 -1.20 -1.11 114.58 119.75 3i01 h GLU 661 Ca 0.05 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i01 h GLU 661 Cb 0.77 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 3i01 h GLU 661 CO 0.06 -0.15 0.56 0.28 -1.00 0.00 0.00 179.01 178.76 3i01 h VAL 662 N -0.23 1.25 -0.34 3.13 2.07 -1.09 -0.17 116.25 120.87 3i01 h VAL 662 Ca 0.08 -0.54 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 3i01 h VAL 662 Cb 0.34 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3i01 h VAL 662 CO -0.22 0.26 -0.42 0.00 0.02 0.00 0.00 177.57 177.21 3i01 h ALA 663 N 1.34 0.60 -0.17 1.67 0.00 -0.95 0.54 119.26 122.28 3i01 h ALA 663 Ca 0.33 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 663 Cb -0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3i01 h ALA 663 CO -0.06 0.68 -0.16 0.93 0.00 0.00 0.00 179.25 180.63 3i01 h GLU 664 N 0.70 -0.18 -0.08 0.00 4.39 -0.84 0.39 114.58 118.96 3i01 h GLU 664 Ca 0.05 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 3i01 h GLU 664 Cb 1.01 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3i01 h GLU 664 CO 0.10 -0.12 -0.09 -0.09 -1.16 0.00 0.00 179.01 177.65 3i01 h ARG 665 N -0.18 0.21 -0.00 2.33 2.43 -0.66 -2.95 114.38 115.56 3i01 h ARG 665 Ca 0.11 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i01 h ARG 665 Cb 0.35 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3i01 h ARG 665 CO -0.28 0.65 -0.14 0.66 -1.51 0.00 0.00 179.97 179.35 3i01 n TYR 666 N -4.67 0.00 -3.36 2.20 4.02 0.15 -4.99 117.16 110.51 3i01 n TYR 666 Ca -0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.65 3i01 n TYR 666 Cb 0.32 -0.24 0.04 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.10 -1.70 -4.43 -0.72 1.02 -0.04 -5.05 120.64 108.63 3i01 n GLU 667 Ca 0.12 0.89 -0.22 0.00 -0.02 0.00 0.00 57.16 57.93 3i01 n GLU 667 Cb 0.29 -5.13 -0.09 0.00 -0.02 0.00 0.00 31.44 26.49 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 -3.30 0.61 0.82 2.62 -4.23 -0.25 -5.04 115.64 106.88 3i01 s THR 668 Ca 0.33 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.73 3i01 s THR 668 Cb -0.07 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.35 3i01 s THR 668 CO 0.79 0.00 1.09 -1.59 -0.54 0.00 0.00 174.62 174.37 3i01 s LYS 669 N -3.79 1.84 0.11 3.99 0.00 -1.26 -4.69 119.74 115.94 3i01 s LYS 669 Ca 0.31 1.00 -0.31 0.00 0.00 0.00 0.00 55.97 56.97 3i01 s LYS 669 Cb 0.05 -1.86 -0.08 0.00 0.00 0.00 0.00 37.83 35.94 3i01 s LYS 669 CO 0.16 -1.89 1.37 -1.17 0.00 0.00 0.00 175.35 173.82 3i01 s LEU 670 N -6.04 4.37 0.18 2.77 2.96 -1.26 -4.77 118.68 116.90 3i01 s LEU 670 Ca 0.62 2.30 -0.33 0.00 -0.22 0.00 0.00 54.13 56.50 3i01 s LEU 670 Cb -0.17 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.80 3i01 s LEU 670 CO 0.56 -0.63 1.59 0.00 -1.32 0.00 0.00 176.35 176.55 3i01 n GLN 672 N 3.37 2.47 -1.60 0.00 1.13 -1.26 -4.95 117.38 116.54 3i01 n GLN 672 Ca 0.16 -2.23 -0.48 0.00 -1.94 0.00 0.00 57.00 52.52 3i01 n GLN 672 Cb 0.30 -1.51 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 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 1.50 0.16 0.00 1.08 0.00 -1.26 -4.94 105.19 101.73 3i01 n GLY 673 Ca 0.20 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.79 3i01 n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60