#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 3.82 0.12 0.54 0.52 -1.26 -4.96 118.95 117.73 3i01 s ARG 3 Ca 0.00 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.76 3i01 s ARG 3 Cb 0.00 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 3i01 s ARG 3 CO 0.00 -0.11 0.36 -0.06 0.02 0.00 0.00 175.30 175.51 3i01 s PHE 4 N 1.47 3.49 0.24 -0.53 0.40 -1.26 -5.01 117.98 116.78 3i01 s PHE 4 Ca 0.06 0.56 -0.07 0.00 -0.60 0.00 0.00 56.93 56.88 3i01 s PHE 4 Cb -0.15 -2.00 0.23 0.00 0.51 0.00 0.00 43.02 41.61 3i01 s PHE 4 CO 0.06 0.46 1.90 -0.09 0.70 0.00 0.00 175.22 178.25 3i01 h ARG 5 N 2.99 1.28 -6.00 0.44 2.43 -1.94 -3.36 114.38 110.22 3i01 h ARG 5 Ca -0.46 -0.11 -0.50 0.00 -0.81 0.00 0.00 59.98 58.10 3i01 h ARG 5 Cb 1.17 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3i01 h ARG 5 CO 0.72 0.88 1.35 0.34 -1.51 0.00 0.00 179.97 181.75 3i01 s ASP 6 N -6.15 5.32 0.57 -3.80 -1.08 -1.26 -4.85 116.67 105.41 3i01 s ASP 6 Ca -0.13 0.40 0.31 0.00 -0.52 0.00 0.00 52.55 52.62 3i01 s ASP 6 Cb 0.17 -2.53 1.70 0.00 -1.46 0.00 0.00 42.92 40.80 3i01 s ASP 6 CO 0.82 -2.33 1.94 -0.07 0.52 0.00 0.00 175.17 176.05 3i01 h LEU 7 N 16.23 0.00 -0.26 -1.34 3.38 -2.03 0.14 115.31 131.42 3i01 h LEU 7 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3i01 h LEU 7 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3i01 h LEU 7 CO 1.21 0.00 -0.45 -1.54 0.09 0.00 0.00 178.44 177.75 3i01 n SER 8 N -2.74 0.86 -4.52 -0.43 3.41 -1.26 -4.70 113.62 104.24 3i01 n SER 8 Ca -0.02 -0.66 -0.43 0.00 -0.26 0.00 0.00 58.87 57.50 3i01 n SER 8 Cb 0.22 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.77 2.82 0.00 7.33 5.65 0.47 -5.00 115.29 123.78 3i01 s HIS 9 Ca 0.17 -0.06 0.00 0.00 0.25 0.00 0.00 55.06 55.42 3i01 s HIS 9 Cb 0.18 -4.03 0.00 0.00 -1.18 0.00 0.00 32.58 27.55 3i01 s HIS 9 CO 0.64 -1.32 0.00 0.27 -0.65 0.00 0.00 174.74 173.67 3i01 n ASN 10 N 7.35 1.70 -0.14 9.88 0.23 -1.26 -4.55 115.26 128.47 3i01 n ASN 10 Ca 0.01 -0.60 0.14 0.00 -0.53 0.00 0.00 54.58 53.60 3i01 n ASN 10 Cb 0.47 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.75 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 -2.47 3.15 0.85 0.00 0.52 -1.26 -4.67 118.95 115.06 3i01 s ARG 12 Ca 0.28 -0.73 -0.10 0.00 -0.52 0.00 0.00 55.73 54.66 3i01 s ARG 12 Cb 0.20 -2.80 0.11 0.00 0.52 0.00 0.00 34.95 32.97 3i01 s ARG 12 CO 0.48 0.51 1.11 -1.25 0.02 0.00 0.00 175.30 176.17 3i01 s PRO 13 N -3.09 1.58 1.15 3.54 0.04 -1.24 -4.97 135.00 132.01 3i01 s PRO 13 Ca 0.33 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 3i01 s PRO 13 Cb -0.11 -1.81 0.27 0.00 0.04 0.00 0.00 34.50 32.89 3i01 s PRO 13 CO 0.26 -2.16 1.12 -1.54 0.04 0.00 0.00 177.00 174.72 3i01 s SER 14 N -3.05 1.34 0.00 6.66 1.04 -1.26 -4.93 113.70 113.50 3i01 s SER 14 Ca 0.64 0.68 0.12 0.00 0.48 0.00 0.00 55.95 57.87 3i01 s SER 14 Cb -0.20 -0.97 0.72 0.00 0.10 0.00 0.00 66.02 65.67 3i01 s SER 14 CO 0.57 -3.87 1.43 -0.62 0.98 0.00 0.00 173.24 171.73 3i01 n GLU 15 N -4.60 0.96 -1.47 4.02 -0.58 -1.26 -4.94 120.64 112.77 3i01 n GLU 15 Ca 0.12 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 3i01 n GLU 15 Cb 0.59 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 -0.70 -1.41 -1.81 0.62 0.00 -1.26 -4.85 120.51 111.10 3i01 n ALA 16 Ca 0.09 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 3i01 n ALA 16 Cb 0.04 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 3i01 n ALA 16 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i01 s PRO 17 N -1.56 4.50 0.05 0.00 0.02 -1.26 -4.94 135.00 131.80 3i01 s PRO 17 Ca 0.63 1.99 -0.26 0.00 0.02 0.00 0.00 61.00 63.38 3i01 s PRO 17 Cb -0.63 -3.15 -0.17 0.00 0.02 0.00 0.00 34.50 30.58 3i01 s PRO 17 CO 0.58 -0.01 1.52 0.00 -0.33 0.00 0.00 177.00 178.77 3i01 h ARG 18 N 3.89 -0.30 -5.57 5.54 2.47 -1.95 -3.41 114.38 115.05 3i01 h ARG 18 Ca -0.47 0.02 -0.61 0.00 -1.26 0.00 0.00 59.98 57.66 3i01 h ARG 18 Cb 1.22 0.07 -0.09 0.00 -1.65 0.00 0.00 29.97 29.52 3i01 h ARG 18 CO 0.68 -0.09 -0.37 0.08 0.56 0.00 0.00 179.97 180.83 3i01 s VAL 19 N -5.52 5.33 -0.21 2.04 1.01 -1.26 -4.54 120.40 117.25 3i01 s VAL 19 Ca -0.15 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 3i01 s VAL 19 Cb 0.04 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3i01 s VAL 19 CO 0.62 0.48 0.46 -0.04 0.00 0.00 0.00 175.10 176.62 3i01 s MET 20 N -0.13 4.17 -0.96 2.72 -1.94 -0.11 -4.61 119.30 118.43 3i01 s MET 20 Ca 0.16 0.30 -0.10 0.00 -1.71 0.00 0.00 55.69 54.34 3i01 s MET 20 Cb -0.13 -3.56 -0.01 0.00 2.01 0.00 0.00 34.83 33.14 3i01 s MET 20 CO 0.04 -0.12 0.74 0.39 -0.01 0.00 0.00 175.02 176.07 3i01 n GLU 21 N 4.70 -1.38 0.23 2.03 1.02 -1.26 -4.78 120.64 121.20 3i01 n GLU 21 Ca -0.06 0.82 0.11 0.00 -0.02 0.00 0.00 57.16 58.00 3i01 n GLU 21 Cb 0.51 -4.27 0.56 0.00 -0.02 0.00 0.00 31.44 28.22 3i01 n GLU 21 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3i01 h PRO 22 N -0.89 0.00 -0.02 3.49 0.11 -1.96 -0.53 132.00 132.20 3i01 h PRO 22 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i01 h PRO 22 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3i01 h PRO 22 CO 0.41 0.00 -0.31 1.63 -0.21 0.00 0.00 178.00 179.52 3i01 n LYS 23 N -2.38 1.55 -3.32 1.05 4.76 -1.26 -4.64 118.16 113.92 3i01 n LYS 23 Ca -0.01 -1.14 -0.40 0.00 -2.87 0.00 0.00 58.31 53.89 3i01 n LYS 23 Cb 0.30 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 32.01 3i01 n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3i01 s ASN 24 N -2.10 6.30 0.25 4.39 2.47 -0.21 -4.97 114.94 121.08 3i01 s ASN 24 Ca 0.18 0.17 0.26 0.00 0.42 0.00 0.00 52.86 53.89 3i01 s ASN 24 Cb 0.16 -2.24 0.75 0.00 -1.45 0.00 0.00 41.25 38.47 3i01 s ASN 24 CO 0.44 -0.31 1.75 0.08 -3.72 0.00 0.00 177.10 175.33 3i01 h ARG 25 N 8.27 0.00 -2.29 0.43 0.11 -1.87 -3.36 114.38 115.67 3i01 h ARG 25 Ca -0.30 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.29 3i01 h ARG 25 Cb 1.14 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.12 3i01 h ARG 25 CO 0.70 0.00 1.14 -0.25 0.10 0.00 0.00 179.97 181.67 3i01 n ASP 26 N -2.41 6.83 -3.04 0.08 8.00 -1.26 -4.76 116.55 119.99 3i01 n ASP 26 Ca 0.05 -2.90 -0.35 0.00 0.71 0.00 0.00 54.79 52.31 3i01 n ASP 26 Cb 0.44 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.15 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 1.92 3.62 -3.73 -1.24 1.74 -1.26 -4.86 116.66 112.84 3i01 n ARG 27 Ca 0.55 -3.15 -0.13 0.00 -0.77 0.00 0.00 57.85 54.35 3i01 n ARG 27 Cb 0.54 -2.38 -0.08 0.00 -1.02 0.00 0.00 32.46 29.52 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 -2.34 0.06 -2.10 0.55 -1.32 -1.26 0.08 115.64 109.30 3i01 s THR 28 Ca 0.54 -0.48 0.21 0.00 -1.21 0.00 0.00 61.69 60.75 3i01 s THR 28 Cb 0.29 -0.74 0.45 0.00 -1.51 0.00 0.00 72.50 71.00 3i01 s THR 28 CO -0.18 -0.26 1.39 1.33 -2.21 0.00 0.00 174.62 174.68 3i01 n VAL 29 N 1.03 0.67 -2.71 5.08 0.24 -0.52 -4.79 118.33 117.33 3i01 n VAL 29 Ca -0.21 -0.83 -0.43 0.00 -2.04 0.00 0.00 64.34 60.83 3i01 n VAL 29 Cb 0.57 0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.26 6.77 0.54 -1.34 3.68 -1.26 -4.92 116.67 118.88 3i01 s ASP 30 Ca 0.38 0.75 0.26 0.00 2.13 0.00 0.00 52.55 56.07 3i01 s ASP 30 Cb 0.22 -2.51 1.56 0.00 -1.45 0.00 0.00 42.92 40.74 3i01 s ASP 30 CO 0.29 -0.93 2.15 1.55 0.13 0.00 0.00 175.17 178.36 3i01 h PRO 31 N 8.45 0.00 -0.09 4.34 0.13 -1.97 -0.84 132.00 142.03 3i01 h PRO 31 Ca -0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.75 3i01 h PRO 31 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3i01 h PRO 31 CO 1.03 0.06 -0.62 0.00 -0.23 0.00 0.00 178.00 178.24 3i01 h ALA 32 N 1.94 0.76 -0.22 -0.56 0.00 -1.95 -2.27 119.26 116.96 3i01 h ALA 32 Ca -0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 3i01 h ALA 32 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i01 h ALA 32 CO 0.01 0.73 -0.49 0.28 0.00 0.00 0.00 179.25 179.78 3i01 h VAL 33 N 0.24 1.31 -0.38 0.00 2.07 -1.58 0.36 116.25 118.27 3i01 h VAL 33 Ca -0.01 -1.71 0.08 0.00 0.82 0.00 0.00 66.70 65.88 3i01 h VAL 33 Cb 1.15 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 3i01 h VAL 33 CO 0.10 0.54 -0.18 -0.07 0.02 0.00 0.00 177.57 177.98 3i01 h LEU 34 N 0.43 -0.61 -0.08 2.57 3.38 -1.37 0.24 115.31 119.88 3i01 h LEU 34 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i01 h LEU 34 Cb 1.10 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3i01 h LEU 34 CO 0.11 -0.21 0.05 -0.33 0.09 0.00 0.00 178.44 178.14 3i01 h GLU 35 N -0.11 0.09 -0.27 1.13 5.08 -1.21 -2.96 114.58 116.33 3i01 h GLU 35 Ca 0.19 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3i01 h GLU 35 Cb 0.40 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3i01 h GLU 35 CO -0.45 0.06 0.04 0.52 -1.00 0.00 0.00 179.01 178.18 3i01 h MET 36 N 0.10 0.39 0.00 2.33 2.86 -0.44 -1.72 114.93 118.45 3i01 h MET 36 Ca 0.03 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3i01 h MET 36 Cb -0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 3i01 h MET 36 CO -0.01 0.39 -0.04 -0.07 1.06 0.00 0.00 176.91 178.23 3i01 h LEU 37 N 0.39 0.00 0.35 1.22 3.38 -0.37 0.35 115.31 120.62 3i01 h LEU 37 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3i01 h LEU 37 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i01 h LEU 37 CO -0.00 0.04 -0.17 0.58 0.09 0.00 0.00 178.44 178.98 3i01 h VAL 38 N 0.00 0.64 -0.87 1.22 2.07 -1.20 -2.67 116.25 115.44 3i01 h VAL 38 Ca -0.00 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3i01 h VAL 38 Cb 0.46 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3i01 h VAL 38 CO 0.01 0.09 0.45 0.50 0.02 0.00 0.00 177.57 178.64 3i01 h LYS 39 N -0.75 1.24 -0.52 1.57 3.64 -1.26 -1.94 116.57 118.55 3i01 h LYS 39 Ca -0.05 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 3i01 h LYS 39 Cb 0.51 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3i01 h LYS 39 CO 0.08 0.93 0.09 0.66 -2.27 0.00 0.00 179.45 178.94 3i01 h SER 40 N 1.23 0.82 -0.73 4.20 4.64 -0.38 -0.99 113.55 122.34 3i01 h SER 40 Ca 0.30 -0.26 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3i01 h SER 40 Cb 0.07 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 3i01 h SER 40 CO -0.04 0.86 0.47 0.50 -0.87 0.00 0.00 176.83 177.75 3i01 h LYS 41 N 0.73 0.91 -0.97 4.77 3.64 -1.33 -1.90 116.57 122.42 3i01 h LYS 41 Ca 0.16 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 3i01 h LYS 41 Cb 0.39 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 3i01 h LYS 41 CO 0.01 0.60 0.61 -0.44 -2.27 0.00 0.00 179.45 177.96 3i01 h ASP 42 N 0.93 0.93 0.71 4.20 3.32 -0.73 -1.98 116.42 123.81 3i01 h ASP 42 Ca 0.28 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3i01 h ASP 42 Cb -0.03 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3i01 h ASP 42 CO -0.09 0.54 -0.09 0.47 -1.72 0.00 0.00 179.24 178.34 3i01 n ASP 43 N -4.60 0.16 -2.44 6.45 8.00 -0.43 -4.93 116.55 118.76 3i01 n ASP 43 Ca 0.17 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 3i01 n ASP 43 Cb 0.28 -0.26 0.05 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.35 -4.81 -4.32 -1.24 5.02 -0.74 -5.01 118.16 105.71 3i01 n LYS 44 Ca 0.10 0.52 -0.34 0.00 -2.02 0.00 0.00 58.31 56.57 3i01 n LYS 44 Cb 0.31 -4.60 -0.11 0.00 -0.02 0.00 0.00 35.03 30.60 3i01 n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i01 s VAL 45 N -3.20 4.13 -0.07 -0.18 1.01 -0.78 -5.06 120.40 116.25 3i01 s VAL 45 Ca 0.30 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 3i01 s VAL 45 Cb -0.13 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3i01 s VAL 45 CO 0.45 0.50 0.61 -0.63 0.00 0.00 0.00 175.10 176.03 3i01 s ILE 46 N 0.18 5.06 0.51 2.22 1.01 -1.26 -4.53 121.20 124.39 3i01 s ILE 46 Ca -0.00 1.24 0.01 0.00 0.00 0.00 0.00 60.65 61.90 3i01 s ILE 46 Cb -0.13 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 3i01 s ILE 46 CO 0.02 0.32 0.02 0.42 0.00 0.00 0.00 174.94 175.72 3i01 s THR 47 N 0.50 0.95 0.53 2.92 -4.23 -1.26 -4.88 115.64 110.16 3i01 s THR 47 Ca 0.32 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.06 3i01 s THR 47 Cb -0.17 -2.07 0.30 0.00 1.34 0.00 0.00 72.50 71.89 3i01 s THR 47 CO 0.15 0.00 2.16 0.00 -0.54 0.00 0.00 174.62 176.40 3i01 h ALA 48 N 1.36 1.68 -0.27 3.99 0.00 -1.99 -2.69 119.26 121.34 3i01 h ALA 48 Ca -0.42 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3i01 h ALA 48 Cb 1.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3i01 h ALA 48 CO 0.70 0.05 -0.04 0.74 0.00 0.00 0.00 179.25 180.70 3i01 h PHE 49 N 0.00 0.55 -0.22 0.00 -1.00 -1.88 0.21 116.94 114.61 3i01 h PHE 49 Ca -0.00 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.63 3i01 h PHE 49 Cb 0.08 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 3i01 h PHE 49 CO 0.00 0.69 -0.02 -0.44 -1.61 0.00 0.00 178.31 176.93 3i01 h ASP 50 N 0.26 0.40 -0.96 2.17 3.32 -1.81 -2.83 116.42 116.97 3i01 h ASP 50 Ca 0.07 -0.33 0.05 0.00 0.02 0.00 0.00 57.03 56.84 3i01 h ASP 50 Cb 0.50 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 3i01 h ASP 50 CO 0.02 0.64 0.62 0.03 -1.72 0.00 0.00 179.24 178.83 3i01 h ARG 51 N 0.16 1.12 0.09 3.56 3.08 -1.38 -1.43 114.38 119.59 3i01 h ARG 51 Ca 0.06 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3i01 h ARG 51 Cb 0.45 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3i01 h ARG 51 CO 0.02 0.74 -0.29 0.35 -1.07 0.00 0.00 179.97 179.72 3i01 h PHE 52 N 1.16 -0.78 -0.57 3.04 3.57 -0.41 -2.67 116.94 120.29 3i01 h PHE 52 Ca 0.40 0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.04 3i01 h PHE 52 Cb 0.10 0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.06 3i01 h PHE 52 CO -0.01 -0.39 -0.09 0.28 -2.23 0.00 0.00 178.31 175.87 3i01 h VAL 53 N -0.49 0.47 0.00 1.41 2.07 -1.16 -1.69 116.25 116.86 3i01 h VAL 53 Ca 0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3i01 h VAL 53 Cb 0.53 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3i01 h VAL 53 CO -0.19 0.01 -0.04 0.00 0.02 0.00 0.00 177.57 177.37 3i01 h ALA 54 N 1.55 1.54 0.00 1.67 0.00 -1.10 -1.96 119.26 120.96 3i01 h ALA 54 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i01 h ALA 54 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i01 h ALA 54 CO -0.55 0.06 0.00 1.04 0.00 0.00 0.00 179.25 179.79 3i01 n GLN 55 N -3.93 0.25 -2.54 0.00 1.13 -0.64 -4.94 117.38 106.71 3i01 n GLN 55 Ca -0.03 0.23 -0.39 0.00 -1.94 0.00 0.00 57.00 54.88 3i01 n GLN 55 Cb 0.13 -1.81 -0.04 0.00 0.11 0.00 0.00 30.24 28.63 3i01 n GLN 55 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i01 s GLN 56 N -3.12 4.47 0.58 -1.09 -1.52 -0.74 -3.68 119.66 114.56 3i01 s GLN 56 Ca 0.10 1.64 -0.13 0.00 -1.95 0.00 0.00 55.36 55.02 3i01 s GLN 56 Cb 0.12 -2.92 -0.05 0.00 -0.22 0.00 0.00 33.01 29.94 3i01 s GLN 56 CO 0.57 0.10 1.02 -1.25 -0.25 0.00 0.00 175.29 175.48 3i01 s PRO 57 N -1.87 3.66 -0.00 2.91 0.04 -1.26 -5.09 135.00 133.39 3i01 s PRO 57 Ca 0.50 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 3i01 s PRO 57 Cb -0.27 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3i01 s PRO 57 CO 0.34 -0.51 0.18 -0.65 0.04 0.00 0.00 177.00 176.40 3i01 s GLN 58 N -4.67 3.43 -0.48 4.56 -0.21 -1.24 -5.00 119.66 116.04 3i01 s GLN 58 Ca 0.57 -0.34 -0.46 0.00 0.02 0.00 0.00 55.36 55.16 3i01 s GLN 58 Cb -0.11 -3.09 -0.19 0.00 1.00 0.00 0.00 33.01 30.62 3i01 s GLN 58 CO 0.44 0.67 1.70 0.00 -2.12 0.00 0.00 175.29 175.98 3i01 h LYS 60 N 5.88 0.71 0.05 0.00 3.64 -1.97 -1.11 116.57 123.77 3i01 h LYS 60 Ca -0.39 -0.44 -0.00 0.00 -1.27 0.00 0.00 60.65 58.55 3i01 h LYS 60 Cb 1.37 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3i01 h LYS 60 CO 1.00 1.06 -0.03 0.82 -2.27 0.00 0.00 179.45 180.03 3i01 h ILE 61 N 0.43 1.01 -0.28 2.00 2.04 -1.98 0.18 117.51 120.92 3i01 h ILE 61 Ca 0.02 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3i01 h ILE 61 Cb 1.01 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3i01 h ILE 61 CO 0.09 0.05 0.13 1.23 0.00 0.00 0.00 178.15 179.66 3i01 h GLY 62 N -0.16 0.37 1.28 5.37 0.00 -1.93 -1.90 103.07 106.10 3i01 h GLY 62 Ca -0.01 -0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.32 3i01 h GLY 62 CO 0.01 0.08 0.28 -1.82 0.00 0.00 0.00 176.54 175.09 3i01 h TYR 63 N 0.28 0.14 0.00 5.60 3.20 -1.03 -2.09 116.97 123.08 3i01 h TYR 63 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3i01 h TYR 63 Cb 0.04 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3i01 h TYR 63 CO -0.10 0.07 -0.69 0.39 -1.64 0.00 0.00 178.16 176.19 3i01 n GLU 64 N -4.45 0.14 0.00 1.82 1.02 0.63 -4.21 120.64 115.58 3i01 n GLU 64 Ca 0.06 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3i01 n GLU 64 Cb 0.38 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.43 0.87 0.80 0.62 0.00 -0.74 -0.81 105.19 107.37 3i01 n GLY 65 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.61 2.25 -3.88 -0.61 -5.35 -1.06 -3.20 119.36 105.90 3i01 n ILE 66 Ca 0.00 -1.95 -0.36 0.00 -0.27 0.00 0.00 62.75 60.18 3i01 n ILE 66 Cb 0.00 -0.26 -0.13 0.00 -1.74 0.00 0.00 39.64 37.51 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 3.39 0.62 0.00 0.00 1.74 -1.26 -1.60 116.66 119.55 3i01 n ARG 69 Ca -0.18 -2.50 0.04 0.00 -0.77 0.00 0.00 57.85 54.45 3i01 n ARG 69 Cb 0.53 -0.55 0.20 0.00 -1.02 0.00 0.00 32.46 31.61 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 0.08 0.00 -3.87 -1.55 3.01 -1.26 -4.87 117.46 109.00 3i01 n PHE 70 Ca 0.09 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.45 3i01 n PHE 70 Cb 1.03 -0.49 -0.06 0.00 -0.01 0.00 0.00 39.48 39.95 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 -0.25 0.62 0.06 0.00 2.81 -1.26 -2.29 117.12 116.81 3i01 n MET 72 Ca -0.09 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.76 3i01 n MET 72 Cb 0.63 -1.32 -0.09 0.00 -0.71 0.00 0.00 33.22 31.74 3i01 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i01 h ALA 73 N 2.88 0.54 -3.00 3.04 0.00 -1.98 -3.47 119.26 117.27 3i01 h ALA 73 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3i01 h ALA 73 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i01 h ALA 73 CO 0.00 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.79 3i01 n GLY 74 N 1.37 -1.73 3.77 0.00 0.00 -0.97 -4.84 105.19 102.79 3i01 n GLY 74 Ca -0.04 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 3i01 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i01 s PRO 75 N -1.40 3.96 0.11 1.61 0.02 -1.26 -5.07 135.00 132.96 3i01 s PRO 75 Ca 0.00 1.89 0.06 0.00 0.02 0.00 0.00 61.00 62.97 3i01 s PRO 75 Cb 0.00 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.85 3i01 s PRO 75 CO 0.00 -0.41 -0.05 0.00 -0.33 0.00 0.00 177.00 176.21 3i01 s ARG 77 N -2.36 0.29 -0.37 0.00 1.70 -1.26 -0.90 118.95 116.05 3i01 s ARG 77 Ca 0.24 -0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 54.89 3i01 s ARG 77 Cb -0.11 -0.17 -0.00 0.00 -0.57 0.00 0.00 34.95 34.10 3i01 s ARG 77 CO 0.16 0.04 1.59 0.42 -1.08 0.00 0.00 175.30 176.43 3i01 s ILE 78 N -0.58 3.71 -0.59 4.99 -1.09 -0.70 -4.86 121.20 122.07 3i01 s ILE 78 Ca -0.04 0.72 0.22 0.00 -2.23 0.00 0.00 60.65 59.32 3i01 s ILE 78 Cb -0.04 -3.95 -0.22 0.00 -1.58 0.00 0.00 42.46 36.67 3i01 s ILE 78 CO -0.00 -0.60 0.83 0.29 -1.23 0.00 0.00 174.94 174.23 3i01 n LYS 79 N 8.24 0.29 -3.70 2.79 5.02 -0.16 -5.01 118.16 125.62 3i01 n LYS 79 Ca 0.19 -0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 56.35 3i01 n LYS 79 Cb 0.47 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 3i01 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i01 s ALA 80 N -3.22 -1.43 -0.81 7.82 0.00 -1.20 -4.97 121.76 117.95 3i01 s ALA 80 Ca 0.02 0.06 0.26 0.00 0.00 0.00 0.00 51.96 52.30 3i01 s ALA 80 Cb 0.15 0.80 0.80 0.00 0.00 0.00 0.00 23.12 24.87 3i01 s ALA 80 CO 0.85 -0.94 1.69 0.25 0.00 0.00 0.00 175.76 177.61 3i01 n THR 81 N -0.43 0.34 -3.87 0.00 -2.24 -1.26 -3.91 114.28 102.92 3i01 n THR 81 Ca -0.08 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 3i01 n THR 81 Cb 0.61 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 3i01 n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i01 s ASP 82 N -3.94 -0.06 0.00 3.42 3.68 -1.26 -4.90 116.67 113.61 3i01 s ASP 82 Ca 0.11 -0.91 0.00 0.00 2.13 0.00 0.00 52.55 53.88 3i01 s ASP 82 Cb 0.15 0.76 0.00 0.00 -1.45 0.00 0.00 42.92 42.37 3i01 s ASP 82 CO 0.61 -1.46 0.00 0.61 0.13 0.00 0.00 175.17 175.07 3i01 n GLY 83 N -0.49 -2.39 0.00 2.66 0.00 -1.26 -4.21 105.19 99.50 3i01 n GLY 83 Ca -0.05 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.41 0.36 -0.05 1.61 -0.04 -1.26 -2.13 135.00 133.07 3i01 n PRO 84 Ca 0.00 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 3i01 n PRO 84 Cb 0.00 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.28 0.57 0.01 0.55 0.00 -1.26 -4.58 105.19 100.21 3i01 n GLY 85 Ca 0.09 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3i01 n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i01 n SER 86 N 0.76 0.46 -4.42 1.61 3.41 -0.91 -0.98 113.62 113.54 3i01 n SER 86 Ca 0.09 -0.06 -0.21 0.00 -0.26 0.00 0.00 58.87 58.43 3i01 n SER 86 Cb 0.37 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 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 -3.03 1.54 1.00 4.33 0.52 -1.26 -4.33 118.95 117.72 3i01 s ARG 87 Ca 0.11 -1.79 -0.12 0.00 -0.52 0.00 0.00 55.73 53.41 3i01 s ARG 87 Cb 0.17 -1.11 0.19 0.00 0.52 0.00 0.00 34.95 34.71 3i01 s ARG 87 CO 0.68 0.02 1.10 0.20 0.02 0.00 0.00 175.30 177.31 3i01 s GLY 88 N -3.44 1.56 0.27 -3.53 0.00 0.43 -4.84 107.32 97.77 3i01 s GLY 88 Ca 0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.60 3i01 s GLY 88 CO 0.12 0.22 1.85 -2.22 0.00 0.00 0.00 173.10 173.07 3i01 h ILE 89 N -1.89 0.99 0.00 0.90 2.04 -1.95 0.21 117.51 117.82 3i01 h ILE 89 Ca -0.55 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3i01 h ILE 89 Cb 1.33 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3i01 h ILE 89 CO 0.58 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.92 3i01 n GLY 91 N 0.32 0.71 3.76 0.00 0.00 0.75 -4.93 105.19 105.80 3i01 n GLY 91 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.35 3.72 0.74 4.61 0.00 -1.25 -4.53 121.76 122.70 3i01 s ALA 92 Ca 0.00 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 3i01 s ALA 92 Cb 0.00 -3.65 0.03 0.00 0.00 0.00 0.00 23.12 19.51 3i01 s ALA 92 CO 0.00 -1.01 1.12 -1.12 0.00 0.00 0.00 175.76 174.74 3i01 s SER 93 N 0.38 5.15 0.29 0.00 0.01 -1.26 -0.43 113.70 117.84 3i01 s SER 93 Ca 0.61 1.04 -0.00 0.00 1.31 0.00 0.00 55.95 58.92 3i01 s SER 93 Cb -0.48 -1.76 0.50 0.00 0.21 0.00 0.00 66.02 64.49 3i01 s SER 93 CO 0.51 -1.52 1.90 0.00 0.41 0.00 0.00 173.24 174.54 3i01 h ALA 94 N -0.78 1.49 0.00 1.44 0.00 -1.94 0.54 119.26 120.00 3i01 h ALA 94 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3i01 h ALA 94 Cb 1.27 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i01 h ALA 94 CO 0.64 0.37 -0.10 0.11 0.00 0.00 0.00 179.25 180.27 3i01 h TRP 95 N 1.07 0.00 0.04 0.00 0.09 -1.93 -1.65 115.95 113.57 3i01 h TRP 95 Ca 0.41 0.00 -0.10 0.00 0.09 0.00 0.00 58.89 59.28 3i01 h TRP 95 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.45 3i01 h TRP 95 CO -0.00 0.10 -0.43 1.15 0.09 0.00 0.00 178.44 179.35 3i01 h THR 96 N 0.00 1.55 -0.70 0.12 2.02 -1.23 -1.62 112.91 113.06 3i01 h THR 96 Ca -0.00 -2.19 -0.07 0.00 0.77 0.00 0.00 66.41 64.92 3i01 h THR 96 Cb 0.45 2.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 3i01 h THR 96 CO 0.01 0.61 0.16 0.40 0.37 0.00 0.00 175.52 177.08 3i01 h ILE 97 N -0.47 1.26 -0.13 3.11 2.04 -1.17 0.23 117.51 122.39 3i01 h ILE 97 Ca -0.06 -0.97 -0.12 0.00 1.00 0.00 0.00 64.86 64.71 3i01 h ILE 97 Cb 1.23 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3i01 h ILE 97 CO 0.08 0.37 -0.43 0.58 0.00 0.00 0.00 178.15 178.76 3i01 h VAL 98 N 1.06 1.32 -0.31 1.67 2.07 -1.27 -1.79 116.25 118.99 3i01 h VAL 98 Ca 0.22 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3i01 h VAL 98 Cb 0.37 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3i01 h VAL 98 CO 0.00 0.48 -0.08 0.00 0.02 0.00 0.00 177.57 177.99 3i01 h ALA 99 N 1.31 0.43 -0.22 1.67 0.00 -0.60 -1.64 119.26 120.20 3i01 h ALA 99 Ca 0.02 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3i01 h ALA 99 Cb 0.86 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 3i01 h ALA 99 CO 0.07 0.26 -0.32 0.00 0.00 0.00 0.00 179.25 179.26 3i01 h ARG 100 N 0.38 -0.33 -0.06 0.00 3.08 -0.84 0.10 114.38 116.72 3i01 h ARG 100 Ca 0.08 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3i01 h ARG 100 Cb 0.57 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3i01 h ARG 100 CO 0.03 -0.22 -0.03 -0.91 -1.07 0.00 0.00 179.97 177.77 3i01 h ASN 101 N -0.34 0.12 -0.35 7.04 2.35 -1.18 0.19 115.58 123.40 3i01 h ASN 101 Ca 0.12 -0.42 -0.04 0.00 -0.55 0.00 0.00 56.30 55.41 3i01 h ASN 101 Cb 0.54 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3i01 h ASN 101 CO -0.41 0.51 0.05 1.62 -1.65 0.00 0.00 177.43 177.55 3i01 h VAL 102 N -0.27 1.24 -1.00 2.81 3.04 -1.37 -3.10 116.25 117.61 3i01 h VAL 102 Ca 0.01 -0.86 0.05 0.00 -1.01 0.00 0.00 66.70 64.89 3i01 h VAL 102 Cb 0.46 1.12 -0.06 0.00 -2.01 0.00 0.00 31.29 30.80 3i01 h VAL 102 CO 0.01 0.29 0.65 1.23 -1.01 0.00 0.00 177.57 178.74 3i01 h GLY 103 N 0.43 1.50 -0.23 3.17 0.00 -0.73 -0.21 103.07 107.00 3i01 h GLY 103 Ca 0.11 -0.48 0.09 0.00 0.00 0.00 0.00 47.33 47.05 3i01 h GLY 103 CO 0.01 0.37 -0.29 -2.00 0.00 0.00 0.00 176.54 174.63 3i01 h LEU 104 N 1.21 -0.98 -0.04 3.11 5.85 -0.62 0.67 115.31 124.51 3i01 h LEU 104 Ca 0.42 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 59.33 3i01 h LEU 104 Cb 0.10 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3i01 h LEU 104 CO -0.15 -0.29 0.01 0.24 -0.34 0.00 0.00 178.44 177.91 3i01 h MET 105 N -0.18 0.06 -0.84 1.25 2.86 -1.01 -0.49 114.93 116.59 3i01 h MET 105 Ca 0.21 -0.01 0.20 0.00 -2.06 0.00 0.00 59.70 58.03 3i01 h MET 105 Cb 0.52 -0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.05 3i01 h MET 105 CO -0.58 0.25 0.29 0.82 1.06 0.00 0.00 176.91 178.75 3i01 h ILE 106 N -0.14 0.47 -0.20 -1.22 2.04 -1.01 -2.52 117.51 114.93 3i01 h ILE 106 Ca 0.01 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.79 3i01 h ILE 106 Cb 0.22 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3i01 h ILE 106 CO -0.00 0.06 0.02 -0.07 0.00 0.00 0.00 178.15 178.16 3i01 h LEU 107 N 0.33 -0.04 -1.69 1.44 3.38 0.19 -0.38 115.31 118.54 3i01 h LEU 107 Ca 0.50 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.54 3i01 h LEU 107 Cb 0.93 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3i01 h LEU 107 CO -0.54 0.01 0.25 0.71 0.09 0.00 0.00 178.44 178.96 3i01 h THR 108 N 0.09 1.04 0.06 0.22 1.35 -0.90 0.18 112.91 114.94 3i01 h THR 108 Ca 0.09 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3i01 h THR 108 Cb 0.10 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 3i01 h THR 108 CO -0.14 0.07 -0.03 1.23 -0.25 0.00 0.00 175.52 176.41 3i01 h GLY 109 N 0.41 -0.08 -0.09 5.82 0.00 -1.04 -0.58 103.07 107.50 3i01 h GLY 109 Ca 0.15 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.60 3i01 h GLY 109 CO -0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 176.54 176.29 3i01 h ALA 110 N 0.19 0.20 -0.57 3.60 0.00 -0.90 -0.14 119.26 121.66 3i01 h ALA 110 Ca -0.01 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3i01 h ALA 110 Cb 0.57 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3i01 h ALA 110 CO 0.01 -0.52 0.10 0.00 0.00 0.00 0.00 179.25 178.84 3i01 h ALA 111 N 1.32 1.10 0.12 0.00 0.00 -0.95 0.81 119.26 121.66 3i01 h ALA 111 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 111 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i01 h ALA 111 CO -0.55 0.59 -0.06 0.00 0.00 0.00 0.00 179.25 179.24 3i01 h ALA 112 N 1.24 -0.17 -0.55 0.00 0.00 -0.72 0.05 119.26 119.12 3i01 h ALA 112 Ca 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3i01 h ALA 112 Cb 0.37 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3i01 h ALA 112 CO 0.01 -0.47 0.20 0.45 0.00 0.00 0.00 179.25 179.44 3i01 h HIS 113 N -0.41 0.80 -0.44 0.00 3.86 -0.87 -2.65 115.15 115.44 3i01 h HIS 113 Ca -0.02 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 3i01 h HIS 113 Cb 0.33 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3i01 h HIS 113 CO 0.01 0.63 0.17 0.00 0.86 0.00 0.00 177.93 179.60 3i01 h GLU 115 N 0.57 1.26 0.06 0.00 4.22 -0.88 -0.27 114.58 119.53 3i01 h GLU 115 Ca 0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 3i01 h GLU 115 Cb 0.20 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3i01 h GLU 115 CO -0.01 0.83 -0.03 1.25 -2.18 0.00 0.00 179.01 178.87 3i01 h HIS 116 N 1.29 -0.08 -0.61 0.92 2.76 -1.19 0.14 115.15 118.39 3i01 h HIS 116 Ca 0.37 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.44 3i01 h HIS 116 Cb -0.10 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 3i01 h HIS 116 CO -0.00 0.29 0.01 0.78 -1.30 0.00 0.00 177.93 177.70 3i01 h GLY 117 N -0.46 1.15 0.98 5.26 0.00 -0.94 -1.63 103.07 107.44 3i01 h GLY 117 Ca -0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 3i01 h GLY 117 CO 0.01 0.77 0.22 -0.57 0.00 0.00 0.00 176.54 176.98 3i01 h ASN 118 N 0.96 0.76 -0.09 0.19 -0.00 -1.04 0.85 115.58 117.22 3i01 h ASN 118 Ca 0.17 -0.17 0.01 0.00 -0.00 0.00 0.00 56.30 56.31 3i01 h ASN 118 Cb 0.55 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 3i01 h ASN 118 CO 0.03 0.72 0.02 -0.74 -0.00 0.00 0.00 177.43 177.46 3i01 h HIS 119 N 0.76 0.04 -0.12 0.67 2.76 -0.60 -1.56 115.15 117.09 3i01 h HIS 119 Ca 0.19 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.23 3i01 h HIS 119 Cb 0.20 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 3i01 h HIS 119 CO 0.01 0.02 -0.49 0.82 -1.30 0.00 0.00 177.93 176.99 3i01 h ILE 120 N 0.06 1.34 -0.51 6.26 2.04 -1.08 -1.64 117.51 123.97 3i01 h ILE 120 Ca 0.04 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.19 3i01 h ILE 120 Cb 0.03 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3i01 h ILE 120 CO -0.05 0.52 0.32 0.00 0.00 0.00 0.00 178.15 178.94 3i01 h ALA 121 N 1.23 0.65 -0.57 1.87 0.00 -0.76 -1.14 119.26 120.54 3i01 h ALA 121 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3i01 h ALA 121 Cb 0.96 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3i01 h ALA 121 CO 0.08 0.11 0.23 1.25 0.00 0.00 0.00 179.25 180.93 3i01 h HIS 122 N 0.69 0.87 -0.78 0.00 -0.00 -1.20 -2.48 115.15 112.24 3i01 h HIS 122 Ca 0.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3i01 h HIS 122 Cb -0.05 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.07 3i01 h HIS 122 CO -0.03 0.70 0.44 0.00 -0.00 0.00 0.00 177.93 179.03 3i01 h ALA 123 N 1.08 1.00 -0.56 5.26 0.00 -1.15 -0.70 119.26 124.19 3i01 h ALA 123 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i01 h ALA 123 Cb 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3i01 h ALA 123 CO -0.02 0.50 0.13 1.25 0.00 0.00 0.00 179.25 181.12 3i01 h LEU 124 N 1.08 0.81 -0.24 0.00 5.85 -1.03 0.21 115.31 121.99 3i01 h LEU 124 Ca 0.28 -0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3i01 h LEU 124 Cb 0.02 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3i01 h LEU 124 CO -0.05 0.79 -0.24 0.58 -0.34 0.00 0.00 178.44 179.19 3i01 h VAL 125 N 0.83 1.32 -0.77 1.05 2.07 -1.16 -0.30 116.25 119.29 3i01 h VAL 125 Ca 0.18 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3i01 h VAL 125 Cb 0.31 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3i01 h VAL 125 CO -0.00 0.44 0.45 -0.33 0.02 0.00 0.00 177.57 178.15 3i01 h GLU 126 N 0.29 1.06 -0.02 1.57 4.39 -0.99 -1.33 114.58 119.56 3i01 h GLU 126 Ca 0.04 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.65 3i01 h GLU 126 Cb 0.80 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3i01 h GLU 126 CO 0.06 0.76 -0.12 1.98 -1.16 0.00 0.00 179.01 180.53 3i01 h MET 127 N 1.06 -0.19 0.00 2.33 4.05 -0.36 -1.47 114.93 120.35 3i01 h MET 127 Ca 0.28 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.69 3i01 h MET 127 Cb -0.01 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 3i01 h MET 127 CO -0.05 -0.13 -0.10 0.00 0.23 0.00 0.00 176.91 176.86 3i01 h ALA 128 N 0.78 1.37 -0.33 0.39 0.00 -0.48 -2.17 119.26 118.83 3i01 h ALA 128 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i01 h ALA 128 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i01 h ALA 128 CO -0.13 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3i01 n GLU 129 N -3.75 1.77 -0.71 0.00 1.02 -0.56 -4.89 120.64 113.52 3i01 n GLU 129 Ca -0.02 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.94 3i01 n GLU 129 Cb 0.21 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.01 0.76 0.41 0.62 0.00 -0.82 -4.94 105.19 102.22 3i01 n GLY 130 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3i01 n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i01 n LYS 131 N -2.34 1.17 -3.19 1.61 5.02 -0.59 -4.64 118.16 115.21 3i01 n LYS 131 Ca 0.00 -0.82 -0.23 0.00 -2.02 0.00 0.00 58.31 55.24 3i01 n LYS 131 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 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 -0.20 2.38 0.25 7.82 0.00 -1.21 -4.36 120.51 125.20 3i01 n ALA 132 Ca 0.12 -3.42 0.05 0.00 0.00 0.00 0.00 53.44 50.19 3i01 n ALA 132 Cb 0.40 -0.83 0.23 0.00 0.00 0.00 0.00 19.45 19.25 3i01 n ALA 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i01 n PRO 133 N 1.20 0.03 0.11 0.00 -0.04 -1.26 -1.01 135.00 134.03 3i01 n PRO 133 Ca 0.22 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 3i01 n PRO 133 Cb 0.55 -1.58 0.45 0.00 -0.04 0.00 0.00 33.50 32.89 3i01 n PRO 133 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i01 n ASP 134 N -1.64 0.70 -4.78 3.54 8.00 -1.26 -4.82 116.55 116.29 3i01 n ASP 134 Ca 0.01 0.62 -0.22 0.00 0.71 0.00 0.00 54.79 55.91 3i01 n ASP 134 Cb 0.09 -0.79 -0.05 0.00 -0.02 0.00 0.00 41.12 40.35 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 -3.20 2.76 0.12 1.24 1.51 -0.18 -5.06 117.35 114.54 3i01 s TYR 135 Ca 0.07 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.49 3i01 s TYR 135 Cb 0.11 -1.76 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 3i01 s TYR 135 CO 0.49 0.23 1.04 -1.54 -1.11 0.00 0.00 175.55 174.66 3i01 s SER 136 N -3.92 -0.13 -0.51 2.29 1.04 -1.26 -4.97 113.70 106.23 3i01 s SER 136 Ca 0.40 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.23 3i01 s SER 136 Cb -0.03 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.54 3i01 s SER 136 CO 0.24 -0.77 0.83 -0.69 0.98 0.00 0.00 173.24 173.83 3i01 s VAL 137 N -2.99 4.57 -0.16 5.02 1.01 -1.26 -4.46 120.40 122.12 3i01 s VAL 137 Ca 0.14 0.19 0.22 0.00 0.00 0.00 0.00 61.98 62.52 3i01 s VAL 137 Cb -0.00 -4.42 -0.12 0.00 0.00 0.00 0.00 36.38 31.84 3i01 s VAL 137 CO 0.01 -0.92 0.82 0.29 0.00 0.00 0.00 175.10 175.31 3i01 n LYS 138 N 6.96 0.63 -3.82 2.72 5.02 -0.33 -4.67 118.16 124.68 3i01 n LYS 138 Ca 0.00 0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 3i01 n LYS 138 Cb 0.47 -1.73 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 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 -5.17 3.95 0.17 4.39 3.68 -0.96 -4.73 116.67 118.00 3i01 s ASP 139 Ca -0.03 -2.76 -0.02 0.00 2.13 0.00 0.00 52.55 51.87 3i01 s ASP 139 Cb 0.11 -1.29 0.02 0.00 -1.45 0.00 0.00 42.92 40.31 3i01 s ASP 139 CO 0.83 -0.26 1.41 -0.33 0.13 0.00 0.00 175.17 176.95 3i01 h GLU 140 N 6.68 0.41 -0.45 4.34 5.08 -1.87 -2.14 114.58 126.63 3i01 h GLU 140 Ca -0.04 -0.35 0.06 0.00 -1.00 0.00 0.00 59.36 58.03 3i01 h GLU 140 Cb 0.92 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 3i01 h GLU 140 CO 0.57 1.00 0.14 0.00 -1.00 0.00 0.00 179.01 179.71 3i01 h ALA 141 N 0.90 0.53 -0.39 3.43 0.00 -2.00 -2.22 119.26 119.51 3i01 h ALA 141 Ca -0.04 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 141 Cb 1.36 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3i01 h ALA 141 CO 0.13 -0.26 0.09 -0.22 0.00 0.00 0.00 179.25 179.00 3i01 h LYS 142 N 0.29 0.57 -0.13 0.00 1.63 -1.89 -1.45 116.57 115.59 3i01 h LYS 142 Ca 0.21 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 3i01 h LYS 142 Cb 0.23 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3i01 h LYS 142 CO -0.24 0.53 -0.03 1.25 -3.45 0.00 0.00 179.45 177.50 3i01 h LEU 143 N 0.56 0.26 -1.22 5.20 5.85 -0.97 -1.73 115.31 123.26 3i01 h LEU 143 Ca 0.13 -0.37 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3i01 h LEU 143 Cb 0.22 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3i01 h LEU 143 CO -0.00 0.56 -0.27 0.11 -0.34 0.00 0.00 178.44 178.50 3i01 h LYS 144 N -0.06 0.20 -0.20 1.25 1.57 -1.17 0.33 116.57 118.49 3i01 h LYS 144 Ca 0.03 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3i01 h LYS 144 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3i01 h LYS 144 CO 0.01 0.46 -0.28 1.49 -0.57 0.00 0.00 179.45 180.56 3i01 h GLU 145 N 0.18 0.54 -0.56 3.15 4.57 -1.21 -1.04 114.58 120.22 3i01 h GLU 145 Ca 0.03 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 57.80 3i01 h GLU 145 Cb 0.57 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 3i01 h GLU 145 CO 0.04 0.92 -0.01 0.28 -1.18 0.00 0.00 179.01 179.06 3i01 h VAL 146 N 0.21 1.26 0.82 0.32 2.07 -1.04 -1.39 116.25 118.50 3i01 h VAL 146 Ca 0.02 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3i01 h VAL 146 Cb 0.86 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3i01 h VAL 146 CO 0.07 0.40 -0.41 0.00 0.02 0.00 0.00 177.57 177.64 3i01 h ARG 148 N -1.13 0.33 0.00 0.00 3.08 -1.06 -0.61 114.38 115.00 3i01 h ARG 148 Ca -0.11 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3i01 h ARG 148 Cb 0.87 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 3i01 h ARG 148 CO 0.17 0.22 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.07 3i01 h ARG 149 N 0.34 0.00 -0.47 0.04 2.43 -1.08 -2.00 114.38 113.64 3i01 h ARG 149 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3i01 h ARG 149 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3i01 h ARG 149 CO -0.49 0.13 0.00 1.33 -1.51 0.00 0.00 179.97 179.44 3i01 n VAL 150 N -3.69 0.61 -1.00 0.20 0.24 -0.27 -4.87 118.33 109.55 3i01 n VAL 150 Ca -0.02 -0.79 -0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3i01 n VAL 150 Cb 0.25 0.81 -0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.53 0.46 3.70 7.63 0.00 -0.75 -5.02 105.19 112.75 3i01 n GLY 151 Ca 0.21 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3i01 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i01 s ILE 152 N -2.00 4.13 -0.03 -0.61 1.01 -0.97 -5.01 121.20 117.73 3i01 s ILE 152 Ca 0.00 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 3i01 s ILE 152 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3i01 s ILE 152 CO 0.00 0.07 1.17 -0.70 0.00 0.00 0.00 174.94 175.48 3i01 s GLU 153 N 1.53 4.39 -0.10 2.79 2.56 -1.26 -3.83 118.70 124.77 3i01 s GLU 153 Ca 0.58 1.66 0.05 0.00 0.00 0.00 0.00 54.97 57.26 3i01 s GLU 153 Cb -0.28 -3.50 -0.24 0.00 2.00 0.00 0.00 34.13 32.11 3i01 s GLU 153 CO 0.27 -0.37 0.45 0.28 -0.56 0.00 0.00 175.26 175.32 3i01 n VAL 154 N 4.41 1.65 -1.99 3.70 0.31 -1.26 -4.88 118.33 120.28 3i01 n VAL 154 Ca 0.10 -0.74 -0.39 0.00 -0.01 0.00 0.00 64.34 63.31 3i01 n VAL 154 Cb 0.47 -1.28 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 3i01 n VAL 154 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i01 s GLU 155 N -2.57 3.67 0.00 5.55 8.01 -1.26 -2.96 118.70 129.14 3i01 s GLU 155 Ca -0.14 2.13 0.00 0.00 0.01 0.00 0.00 54.97 56.98 3i01 s GLU 155 Cb 0.07 -2.54 0.00 0.00 -4.31 0.00 0.00 34.13 27.35 3i01 s GLU 155 CO 0.79 -0.73 0.00 0.41 0.01 0.00 0.00 175.26 175.74 3i01 n GLY 156 N 0.62 2.78 3.91 -1.39 0.00 -1.26 -5.01 105.19 104.84 3i01 n GLY 156 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.00 3.49 0.71 1.61 1.02 -1.16 -5.11 119.74 120.30 3i01 s LYS 157 Ca 0.00 -0.33 -0.11 0.00 0.02 0.00 0.00 55.97 55.55 3i01 s LYS 157 Cb 0.00 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 3i01 s LYS 157 CO 0.00 0.59 1.09 -1.54 -0.92 0.00 0.00 175.35 174.57 3i01 s SER 158 N -2.38 5.38 0.25 2.83 1.04 -1.26 -4.89 113.70 114.67 3i01 s SER 158 Ca 0.35 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.91 3i01 s SER 158 Cb -0.13 -1.98 0.40 0.00 0.10 0.00 0.00 66.02 64.41 3i01 s SER 158 CO 0.25 -1.39 1.83 -0.37 0.98 0.00 0.00 173.24 174.55 3i01 h VAL 159 N -0.69 0.96 -0.63 5.02 -1.51 -1.99 -1.73 116.25 115.69 3i01 h VAL 159 Ca -0.45 -0.31 -0.03 0.00 -1.23 0.00 0.00 66.70 64.68 3i01 h VAL 159 Cb 1.25 -0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.37 3i01 h VAL 159 CO 0.63 0.16 0.27 -0.07 -1.23 0.00 0.00 177.57 177.34 3i01 h LEU 160 N 0.90 0.83 -0.36 4.19 3.38 -1.93 0.93 115.31 123.26 3i01 h LEU 160 Ca 0.41 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 3i01 h LEU 160 Cb 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i01 h LEU 160 CO -0.22 0.73 -0.46 -0.33 0.09 0.00 0.00 178.44 178.25 3i01 h GLU 161 N 0.90 0.91 -0.37 1.13 5.08 -1.83 -1.24 114.58 119.17 3i01 h GLU 161 Ca 0.22 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3i01 h GLU 161 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3i01 h GLU 161 CO -0.02 1.17 0.19 -0.07 -1.00 0.00 0.00 179.01 179.28 3i01 h LEU 162 N 0.72 0.46 0.21 1.33 3.38 -0.93 -0.78 115.31 119.71 3i01 h LEU 162 Ca 0.04 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i01 h LEU 162 Cb 1.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3i01 h LEU 162 CO 0.11 0.43 -0.25 0.00 0.09 0.00 0.00 178.44 178.81 3i01 h ALA 163 N 1.05 -0.50 -0.51 1.53 0.00 -0.69 -0.02 119.26 120.13 3i01 h ALA 163 Ca 0.13 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3i01 h ALA 163 Cb 0.08 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3i01 h ALA 163 CO -0.02 -0.82 0.14 0.37 0.00 0.00 0.00 179.25 178.93 3i01 h GLN 164 N -0.52 0.28 -0.02 0.00 4.15 -1.24 0.47 115.11 118.25 3i01 h GLN 164 Ca 0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3i01 h GLN 164 Cb 0.50 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 3i01 h GLN 164 CO -0.08 0.19 -0.01 1.49 -1.93 0.00 0.00 178.83 178.48 3i01 h GLU 165 N 0.29 0.04 -0.82 1.69 4.81 -0.90 0.39 114.58 120.08 3i01 h GLU 165 Ca 0.25 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3i01 h GLU 165 Cb 0.31 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3i01 h GLU 165 CO -0.30 0.45 0.54 -0.24 -0.73 0.00 0.00 179.01 178.73 3i01 h VAL 166 N -0.37 1.21 -0.22 0.32 3.04 -0.96 0.55 116.25 119.83 3i01 h VAL 166 Ca 0.00 -0.39 0.03 0.00 -1.01 0.00 0.00 66.70 65.33 3i01 h VAL 166 Cb 0.44 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.70 3i01 h VAL 166 CO 0.00 0.21 0.04 1.23 -1.01 0.00 0.00 177.57 178.03 3i01 h GLY 167 N 1.11 0.24 0.91 3.17 0.00 -0.64 -1.99 103.07 105.87 3i01 h GLY 167 Ca 0.30 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.65 3i01 h GLY 167 CO -0.06 -0.01 0.51 0.83 0.00 0.00 0.00 176.54 177.80 3i01 h GLU 168 N 0.12 0.97 -0.47 4.80 5.08 -0.10 -1.36 114.58 123.61 3i01 h GLU 168 Ca 0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3i01 h GLU 168 Cb 0.10 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3i01 h GLU 168 CO -0.14 0.64 0.18 -0.22 -1.00 0.00 0.00 179.01 178.47 3i01 h LYS 169 N 1.00 0.68 -0.20 2.33 3.64 -0.47 -1.87 116.57 121.68 3i01 h LYS 169 Ca 0.31 -0.10 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 3i01 h LYS 169 Cb -0.02 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3i01 h LYS 169 CO -0.10 0.57 -0.61 0.00 -2.27 0.00 0.00 179.45 177.04 3i01 h ALA 170 N 1.52 0.55 -0.21 5.00 0.00 -0.90 -2.88 119.26 122.34 3i01 h ALA 170 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3i01 h ALA 170 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i01 h ALA 170 CO -0.01 0.69 0.05 -0.07 0.00 0.00 0.00 179.25 179.91 3i01 h LEU 171 N 0.51 0.27 -1.27 0.00 3.38 -0.77 -1.49 115.31 115.94 3i01 h LEU 171 Ca -0.00 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3i01 h LEU 171 Cb 1.19 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3i01 h LEU 171 CO 0.12 0.28 0.55 -0.33 0.09 0.00 0.00 178.44 179.16 3i01 h GLU 172 N 0.30 0.80 0.00 1.13 5.08 -1.13 -2.22 114.58 118.53 3i01 h GLU 172 Ca 0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3i01 h GLU 172 Cb 0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3i01 h GLU 172 CO -0.00 0.53 -0.34 -0.44 -1.00 0.00 0.00 179.01 177.75 3i01 h ASP 173 N 0.82 0.00 0.28 1.42 3.32 -1.22 -2.91 116.42 118.12 3i01 h ASP 173 Ca 0.39 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.17 3i01 h ASP 173 Cb 0.42 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.98 3i01 h ASP 173 CO -0.16 0.34 -1.13 -0.26 -1.72 0.00 0.00 179.24 176.31 3i01 h PHE 174 N 0.00 0.79 0.00 4.55 -1.00 -1.31 0.28 116.94 120.25 3i01 h PHE 174 Ca -0.00 -0.48 -0.21 0.00 2.81 0.00 0.00 57.97 60.09 3i01 h PHE 174 Cb 0.71 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.17 3i01 h PHE 174 CO 0.00 1.33 -1.01 0.00 -1.61 0.00 0.00 178.31 177.02 3i01 h ARG 175 N 0.24 0.00 -6.77 1.51 3.08 -1.47 -3.16 114.38 107.81 3i01 h ARG 175 Ca -0.14 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.38 3i01 h ARG 175 Cb 1.80 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.91 3i01 h ARG 175 CO 0.20 0.96 0.79 0.50 -1.07 0.00 0.00 179.97 181.35 3i01 s ARG 176 N -2.72 4.23 0.44 0.04 3.52 -1.10 -4.91 118.95 118.45 3i01 s ARG 176 Ca 0.01 2.38 0.01 0.00 -0.13 0.00 0.00 55.73 58.00 3i01 s ARG 176 Cb 0.10 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.40 3i01 s ARG 176 CO 0.82 -0.48 0.65 -0.51 -0.81 0.00 0.00 175.30 174.97 3i01 s LEU 177 N -0.46 3.67 -0.20 -0.88 1.43 -1.26 -2.35 118.68 118.63 3i01 s LEU 177 Ca 0.60 0.19 -0.41 0.00 -1.03 0.00 0.00 54.13 53.49 3i01 s LEU 177 Cb -0.44 -3.08 -0.17 0.00 0.03 0.00 0.00 46.19 42.53 3i01 s LEU 177 CO 0.45 -0.70 1.53 1.17 0.23 0.00 0.00 176.35 179.03 3i01 n LYS 178 N -2.04 0.77 0.00 1.70 4.81 -1.26 -1.20 118.16 120.94 3i01 n LYS 178 Ca 0.02 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 3i01 n LYS 178 Cb 0.58 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 3.39 1.37 0.40 3.14 0.00 -1.26 -4.90 105.19 107.34 3i01 n GLY 179 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.41 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 1.53 0.00 1.61 1.02 -0.34 -5.03 120.64 117.43 3i01 n GLU 180 Ca 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 3i01 n GLU 180 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 1.16 0.49 3.25 0.62 0.00 -1.26 -4.96 105.19 104.49 3i01 n GLY 181 Ca 0.19 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.50 1.75 -0.04 1.61 2.02 -1.26 -4.08 118.70 118.19 3i01 s GLU 182 Ca 0.00 -0.81 -0.30 0.00 0.02 0.00 0.00 54.97 53.88 3i01 s GLU 182 Cb 0.00 -1.72 -0.07 0.00 0.10 0.00 0.00 34.13 32.44 3i01 s GLU 182 CO 0.00 0.47 1.91 0.00 0.02 0.00 0.00 175.26 177.66 3i01 s ALA 183 N -0.55 3.45 0.24 5.21 0.00 -0.49 -4.91 121.76 124.70 3i01 s ALA 183 Ca 0.09 1.10 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 3i01 s ALA 183 Cb -0.09 -3.86 0.33 0.00 0.00 0.00 0.00 23.12 19.51 3i01 s ALA 183 CO -0.01 -1.73 1.84 1.15 0.00 0.00 0.00 175.76 177.02 3i01 h THR 184 N 5.87 1.02 0.00 0.00 2.02 -1.92 -2.28 112.91 117.63 3i01 h THR 184 Ca -0.45 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 3i01 h THR 184 Cb 1.22 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3i01 h THR 184 CO 0.95 0.17 -0.13 -0.50 0.37 0.00 0.00 175.52 176.38 3i01 h TRP 185 N 0.92 0.00 0.18 3.16 6.55 -1.91 -0.96 115.95 123.88 3i01 h TRP 185 Ca 0.37 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.20 3i01 h TRP 185 Cb 0.19 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.49 3i01 h TRP 185 CO -0.04 0.13 -0.09 1.25 -1.05 0.00 0.00 178.44 178.65 3i01 h LEU 186 N 0.00 -0.20 -0.77 -4.49 5.85 -1.79 -3.34 115.31 110.57 3i01 h LEU 186 Ca -0.00 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 3i01 h LEU 186 Cb 0.64 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3i01 h LEU 186 CO 0.02 0.34 -0.19 0.24 -0.34 0.00 0.00 178.44 178.51 3i01 h MET 187 N -1.00 0.00 -0.01 1.25 0.00 -1.27 -1.09 114.93 112.82 3i01 h MET 187 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.68 3i01 h MET 187 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.99 3i01 h MET 187 CO 0.04 0.19 -0.10 0.25 0.00 0.00 0.00 176.91 177.29 3i01 n THR 188 N -3.25 0.00 -0.27 2.22 -2.24 -0.38 -3.95 114.28 106.41 3i01 n THR 188 Ca 0.01 -0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.65 3i01 n THR 188 Cb 0.48 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.36 1.15 -4.30 4.28 -2.24 -0.43 -4.98 114.28 107.40 3i01 n THR 189 Ca 0.16 -1.24 -0.18 0.00 -2.27 0.00 0.00 64.05 60.53 3i01 n THR 189 Cb 0.32 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.37 1.53 0.94 2.28 -4.36 -1.11 -4.82 121.20 114.30 3i01 s ILE 190 Ca 0.07 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.30 3i01 s ILE 190 Cb 0.06 -1.86 0.16 0.00 1.25 0.00 0.00 42.46 42.06 3i01 s ILE 190 CO 0.01 -0.56 1.12 0.54 0.24 0.00 0.00 174.94 176.29 3i01 s ASN 191 N -3.02 3.17 0.45 4.36 4.22 -1.26 -4.84 114.94 118.03 3i01 s ASN 191 Ca 0.17 1.08 0.12 0.00 -2.14 0.00 0.00 52.86 52.09 3i01 s ASN 191 Cb -0.02 -1.70 1.00 0.00 1.28 0.00 0.00 41.25 41.81 3i01 s ASN 191 CO 0.05 -2.78 2.04 -0.33 -2.04 0.00 0.00 177.10 174.04 3i01 h GLU 192 N -1.65 0.20 -0.25 3.55 4.39 -1.97 -1.45 114.58 117.39 3i01 h GLU 192 Ca -0.52 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.11 3i01 h GLU 192 Cb 1.33 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 3i01 h GLU 192 CO 0.60 0.22 -0.00 0.78 -1.16 0.00 0.00 179.01 179.44 3i01 h GLY 193 N 0.41 0.49 1.19 -3.84 0.00 -1.93 -0.21 103.07 99.17 3i01 h GLY 193 Ca 0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 3i01 h GLY 193 CO 0.00 0.33 -0.49 3.21 0.00 0.00 0.00 176.54 179.60 3i01 h ARG 194 N 0.23 0.87 -0.28 4.80 2.47 -1.87 -1.95 114.38 118.65 3i01 h ARG 194 Ca 0.07 -0.51 0.03 0.00 -1.26 0.00 0.00 59.98 58.31 3i01 h ARG 194 Cb 0.42 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.76 3i01 h ARG 194 CO 0.01 1.15 0.09 0.87 0.56 0.00 0.00 179.97 182.66 3i01 h LYS 195 N 0.68 0.21 -0.15 0.04 1.57 -1.01 -0.17 116.57 117.74 3i01 h LYS 195 Ca 0.03 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 3i01 h LYS 195 Cb 1.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3i01 h LYS 195 CO 0.11 0.14 -0.51 1.49 -0.57 0.00 0.00 179.45 180.11 3i01 h GLU 196 N 0.21 0.42 0.20 3.15 4.57 -1.05 -0.61 114.58 121.48 3i01 h GLU 196 Ca 0.13 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3i01 h GLU 196 Cb 0.10 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3i01 h GLU 196 CO -0.13 0.83 -0.15 -0.22 -1.18 0.00 0.00 179.01 178.16 3i01 h LYS 197 N 0.33 -0.35 -0.02 1.92 1.63 -0.98 -1.54 116.57 117.57 3i01 h LYS 197 Ca 0.01 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.73 3i01 h LYS 197 Cb 1.01 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 3i01 h LYS 197 CO 0.09 -0.23 -0.49 0.74 -3.45 0.00 0.00 179.45 176.11 3i01 h PHE 198 N -0.36 0.05 0.39 1.91 0.05 -0.88 -2.40 116.94 115.70 3i01 h PHE 198 Ca -0.01 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.75 3i01 h PHE 198 Cb 0.32 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.26 3i01 h PHE 198 CO -0.11 0.52 -0.19 0.00 -0.18 0.00 0.00 178.31 178.36 3i01 h ARG 199 N 0.03 -0.51 -0.15 1.51 3.08 -0.95 -1.69 114.38 115.71 3i01 h ARG 199 Ca -0.00 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 3i01 h ARG 199 Cb 0.88 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3i01 h ARG 199 CO 0.07 -0.20 0.14 1.79 -1.07 0.00 0.00 179.97 180.70 3i01 h THR 200 N -0.87 0.60 -0.22 2.04 1.35 -1.32 -2.52 112.91 111.97 3i01 h THR 200 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3i01 h THR 200 Cb 0.55 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3i01 h THR 200 CO 0.09 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.77 3i01 n HIS 201 N -4.00 0.27 -3.74 4.73 8.25 -0.91 -4.96 115.22 114.87 3i01 n HIS 201 Ca 0.01 -0.16 -0.24 0.00 -0.26 0.00 0.00 57.72 57.07 3i01 n HIS 201 Cb 0.26 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.41 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 1.23 -2.65 -0.04 0.41 5.15 -0.95 -4.94 115.26 113.47 3i01 n ASN 202 Ca 0.15 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.36 3i01 n ASN 202 Cb 0.53 -4.15 0.01 0.00 -0.53 0.00 0.00 39.78 35.64 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 -4.44 0.40 -1.68 3.44 0.24 -0.68 -4.98 118.33 110.63 3i01 n VAL 203 Ca -0.18 -0.70 -0.46 0.00 -2.04 0.00 0.00 64.34 60.96 3i01 n VAL 203 Cb 0.62 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.77 3i01 n VAL 203 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3i01 n VAL 204 N -0.14 0.44 -2.26 3.34 0.31 -1.21 -4.29 118.33 114.51 3i01 n VAL 204 Ca 0.01 -0.08 -0.36 0.00 -0.01 0.00 0.00 64.34 63.90 3i01 n VAL 204 Cb 0.12 -1.88 -0.00 0.00 -0.91 0.00 0.00 33.84 31.16 3i01 n VAL 204 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3i01 s PRO 205 N 3.18 3.58 -0.06 5.55 0.04 -1.26 -4.94 135.00 141.09 3i01 s PRO 205 Ca 0.87 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.57 3i01 s PRO 205 Cb -0.63 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 3i01 s PRO 205 CO 0.45 -0.68 -0.08 1.97 0.04 0.00 0.00 177.00 178.70 3i01 n PHE 206 N -0.86 0.27 -4.36 0.56 -1.74 -1.26 -1.40 117.46 108.67 3i01 n PHE 206 Ca 0.09 0.12 -0.23 0.00 -0.56 0.00 0.00 57.45 56.86 3i01 n PHE 206 Cb 0.49 -0.38 -0.11 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 -3.29 1.48 -0.04 4.97 0.00 -0.99 -3.59 107.32 105.86 3i01 s GLY 207 Ca -0.07 -1.52 -0.21 0.00 0.00 0.00 0.00 44.72 42.92 3i01 s GLY 207 CO 0.10 -1.56 0.93 -2.22 0.00 0.00 0.00 173.10 170.35 3i01 h ILE 208 N 3.29 0.77 -0.68 0.90 2.04 -1.02 -1.51 117.51 121.30 3i01 h ILE 208 Ca -0.44 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.45 3i01 h ILE 208 Cb 1.21 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3i01 h ILE 208 CO 0.49 0.19 0.44 0.45 0.00 0.00 0.00 178.15 179.72 3i01 h HIS 209 N -0.85 0.83 -0.03 1.37 3.86 -1.81 -2.62 115.15 115.89 3i01 h HIS 209 Ca -0.03 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 3i01 h HIS 209 Cb 0.51 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i01 h HIS 209 CO 0.07 0.50 -0.53 0.00 0.86 0.00 0.00 177.93 178.83 3i01 h ALA 210 N 1.27 1.05 -0.46 2.45 0.00 -1.77 -0.21 119.26 121.59 3i01 h ALA 210 Ca 0.26 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3i01 h ALA 210 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3i01 h ALA 210 CO -0.08 0.67 0.17 0.77 0.00 0.00 0.00 179.25 180.79 3i01 h SER 211 N 0.07 0.64 0.09 0.00 0.02 -1.11 0.49 113.55 113.75 3i01 h SER 211 Ca -0.00 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3i01 h SER 211 Cb 0.96 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 3i01 h SER 211 CO 0.07 0.64 -0.23 0.40 -1.14 0.00 0.00 176.83 176.58 3i01 h ILE 212 N 0.60 0.49 -0.91 3.27 2.04 -1.37 -3.03 117.51 118.60 3i01 h ILE 212 Ca 0.15 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.09 3i01 h ILE 212 Cb 0.21 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3i01 h ILE 212 CO -0.01 0.00 0.59 -1.28 0.00 0.00 0.00 178.15 177.45 3i01 h SER 213 N -0.41 0.88 -0.72 1.72 0.87 -0.87 -2.62 113.55 112.39 3i01 h SER 213 Ca 0.03 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3i01 h SER 213 Cb 0.44 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3i01 h SER 213 CO -0.14 0.54 0.48 -0.08 -0.53 0.00 0.00 176.83 177.10 3i01 h GLU 214 N 0.98 0.94 -0.24 2.24 4.57 -0.81 -1.29 114.58 120.98 3i01 h GLU 214 Ca 0.40 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 58.37 3i01 h GLU 214 Cb 0.29 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3i01 h GLU 214 CO -0.16 0.62 -0.51 1.25 -1.18 0.00 0.00 179.01 179.03 3i01 h LEU 215 N 0.97 0.73 -1.42 1.64 5.85 -1.37 -1.36 115.31 120.36 3i01 h LEU 215 Ca 0.27 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3i01 h LEU 215 Cb -0.09 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3i01 h LEU 215 CO -0.07 1.11 0.41 0.58 -0.34 0.00 0.00 178.44 180.13 3i01 h VAL 216 N 0.52 1.11 0.25 1.05 2.07 -1.12 -2.31 116.25 117.82 3i01 h VAL 216 Ca 0.02 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3i01 h VAL 216 Cb 1.06 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3i01 h VAL 216 CO 0.10 0.14 -0.12 -1.13 0.02 0.00 0.00 177.57 176.59 3i01 h ASN 217 N 0.78 -0.28 0.00 0.57 -0.00 -0.84 -2.98 115.58 112.82 3i01 h ASN 217 Ca 0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.48 3i01 h ASN 217 Cb 0.01 0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.40 3i01 h ASN 217 CO -0.06 -0.12 0.16 1.56 -0.00 0.00 0.00 177.43 178.97 3i01 h GLN 218 N -0.43 0.00 -0.00 6.67 4.20 -0.72 -1.58 115.11 123.25 3i01 h GLN 218 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3i01 h GLN 218 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3i01 h GLN 218 CO 0.06 0.00 -0.93 0.00 -0.67 0.00 0.00 178.83 177.29 3i01 n ALA 219 N -1.95 4.59 -1.66 3.87 0.00 -0.98 -3.10 120.51 121.28 3i01 n ALA 219 Ca -0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.44 3i01 n ALA 219 Cb 0.21 -0.75 0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.36 1.37 -1.64 0.00 -0.00 -0.60 -4.87 115.22 108.13 3i01 n HIS 220 Ca 0.04 0.45 -0.55 0.00 -0.00 0.00 0.00 57.72 57.67 3i01 n HIS 220 Cb 0.33 -2.23 -0.07 0.00 -0.00 0.00 0.00 29.99 28.03 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 -0.89 1.08 -2.24 1.57 0.00 -1.26 -2.70 117.12 112.67 3i01 n MET 221 Ca 0.12 0.39 0.00 0.00 -0.00 0.00 0.00 57.70 58.21 3i01 n MET 221 Cb 0.45 -2.04 0.00 0.00 0.00 0.00 0.00 33.22 31.63 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 3.15 0.66 0.00 -5.12 0.00 -1.26 -5.02 105.19 97.60 3i01 n GLY 222 Ca 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.75 0.00 -2.85 1.61 2.00 -1.10 -5.08 117.12 110.95 3i01 n MET 223 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 3i01 n MET 223 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.65 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 0.11 7.14 0.00 7.83 3.68 -1.18 -4.96 116.67 129.28 3i01 s ASP 224 Ca 0.00 1.71 0.00 0.00 2.13 0.00 0.00 52.55 56.39 3i01 s ASP 224 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 3i01 s ASP 224 CO 0.00 -0.17 0.19 -3.20 0.13 0.00 0.00 175.17 172.12 3i01 n ASN 225 N 0.09 0.12 -4.64 -0.34 5.15 -1.26 -4.98 115.26 109.39 3i01 n ASN 225 Ca 0.03 -1.03 -0.41 0.00 -0.60 0.00 0.00 54.58 52.58 3i01 n ASN 225 Cb 0.52 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.71 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 -0.03 6.70 0.22 1.20 -1.08 -1.26 -4.81 116.67 117.61 3i01 s ASP 226 Ca 0.00 0.87 0.10 0.00 -0.52 0.00 0.00 52.55 52.99 3i01 s ASP 226 Cb 0.00 -2.38 0.13 0.00 -1.46 0.00 0.00 42.92 39.21 3i01 s ASP 226 CO 0.00 -0.41 1.48 1.55 0.52 0.00 0.00 175.17 178.31 3i01 h PRO 227 N 7.74 0.00 -0.25 4.34 0.13 -1.97 -0.75 132.00 141.25 3i01 h PRO 227 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 3i01 h PRO 227 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3i01 h PRO 227 CO 0.81 0.76 -0.41 0.28 -0.23 0.00 0.00 178.00 179.21 3i01 h VAL 228 N 0.00 1.30 -0.34 1.56 2.07 -1.99 -1.13 116.25 117.73 3i01 h VAL 228 Ca -0.01 -1.58 -0.14 0.00 0.82 0.00 0.00 66.70 65.79 3i01 h VAL 228 Cb 1.37 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3i01 h VAL 228 CO 0.10 0.50 -0.34 -1.13 0.02 0.00 0.00 177.57 176.72 3i01 h ASN 229 N 0.49 0.79 -0.02 0.57 -1.24 -1.93 -0.21 115.58 114.02 3i01 h ASN 229 Ca 0.04 -0.33 -0.08 0.00 0.71 0.00 0.00 56.30 56.64 3i01 h ASN 229 Cb 0.92 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 39.76 3i01 h ASN 229 CO 0.08 1.06 -0.29 -0.07 -1.29 0.00 0.00 177.43 176.92 3i01 h LEU 230 N 0.63 0.29 -0.45 0.34 3.38 -1.08 -2.14 115.31 116.28 3i01 h LEU 230 Ca 0.06 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.36 3i01 h LEU 230 Cb 0.87 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3i01 h LEU 230 CO 0.08 0.97 0.18 0.58 0.09 0.00 0.00 178.44 180.35 3i01 h VAL 231 N -0.37 0.90 -0.94 1.22 2.07 -1.24 -1.64 116.25 116.25 3i01 h VAL 231 Ca -0.03 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.46 3i01 h VAL 231 Cb 1.00 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3i01 h VAL 231 CO 0.06 0.07 0.60 -0.26 0.02 0.00 0.00 177.57 178.06 3i01 h PHE 232 N 0.37 1.04 -0.16 1.57 -1.00 -1.05 0.63 116.94 118.34 3i01 h PHE 232 Ca 0.20 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 3i01 h PHE 232 Cb 0.17 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.38 3i01 h PHE 232 CO -0.13 0.48 0.06 1.03 -1.61 0.00 0.00 178.31 178.13 3i01 h SER 233 N 0.96 0.23 -0.95 2.17 0.87 -0.67 -1.07 113.55 115.10 3i01 h SER 233 Ca 0.43 -0.18 0.14 0.00 -1.23 0.00 0.00 61.79 60.95 3i01 h SER 233 Cb 0.38 -0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.20 3i01 h SER 233 CO -0.19 0.35 0.60 0.00 -0.53 0.00 0.00 176.83 177.06 3i01 h ALA 234 N 0.89 1.68 -0.50 6.23 0.00 -0.91 0.70 119.26 127.35 3i01 h ALA 234 Ca 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i01 h ALA 234 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3i01 h ALA 234 CO -0.00 0.06 0.01 0.82 0.00 0.00 0.00 179.25 180.14 3i01 h ILE 235 N 0.83 1.25 -0.22 0.00 2.04 -0.40 0.12 117.51 121.13 3i01 h ILE 235 Ca 0.48 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3i01 h ILE 235 Cb 0.63 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3i01 h ILE 235 CO -0.24 0.36 0.06 -0.09 0.00 0.00 0.00 178.15 178.24 3i01 h ARG 236 N 0.77 0.34 -0.73 2.37 2.43 0.36 -0.14 114.38 119.79 3i01 h ARG 236 Ca 0.15 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3i01 h ARG 236 Cb 0.46 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3i01 h ARG 236 CO 0.02 0.43 0.47 0.28 -1.51 0.00 0.00 179.97 179.66 3i01 h VAL 237 N 0.18 1.15 -0.52 0.20 2.07 -0.83 0.21 116.25 118.70 3i01 h VAL 237 Ca 0.07 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3i01 h VAL 237 Cb 0.24 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3i01 h VAL 237 CO -0.00 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 3i01 h ALA 238 N 1.29 0.96 0.00 1.67 0.00 -0.55 0.16 119.26 122.78 3i01 h ALA 238 Ca 0.28 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3i01 h ALA 238 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3i01 h ALA 238 CO -0.08 0.62 -0.18 -0.07 0.00 0.00 0.00 179.25 179.55 3i01 h LEU 239 N 0.83 0.00 -0.38 0.00 3.38 -0.40 -1.44 115.31 117.30 3i01 h LEU 239 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 3i01 h LEU 239 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i01 h LEU 239 CO 0.03 0.18 -0.72 0.00 0.09 0.00 0.00 178.44 178.02 3i01 h ALA 240 N 1.82 0.56 0.01 1.53 0.00 1.00 -1.90 119.26 122.28 3i01 h ALA 240 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.34 3i01 h ALA 240 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3i01 h ALA 240 CO 0.02 0.74 -0.17 0.22 0.00 0.00 0.00 179.25 180.07 3i01 h ASP 241 N 0.33 -0.49 -0.62 0.00 3.58 -0.27 -0.59 116.42 118.37 3i01 h ASP 241 Ca -0.03 0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.55 3i01 h ASP 241 Cb 1.30 0.20 -0.06 0.00 1.72 0.00 0.00 39.33 42.50 3i01 h ASP 241 CO 0.13 -0.23 0.31 0.22 -2.88 0.00 0.00 179.24 176.79 3i01 h TYR 242 N -0.28 0.57 0.05 0.28 3.20 -1.26 0.15 116.97 119.68 3i01 h TYR 242 Ca 0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.97 3i01 h TYR 242 Cb 0.34 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3i01 h TYR 242 CO -0.22 0.25 -0.21 1.15 -1.64 0.00 0.00 178.16 177.49 3i01 h THR 243 N 0.57 0.51 -0.74 1.81 2.02 -0.94 -1.62 112.91 114.53 3i01 h THR 243 Ca 0.28 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.61 3i01 h THR 243 Cb 0.22 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 3i01 h THR 243 CO -0.21 0.00 0.49 1.23 0.37 0.00 0.00 175.52 177.41 3i01 h GLY 244 N -0.36 0.65 1.01 2.16 0.00 -0.50 -2.21 103.07 103.82 3i01 h GLY 244 Ca 0.04 -0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 3i01 h GLY 244 CO -0.16 0.06 -0.31 0.83 0.00 0.00 0.00 176.54 176.96 3i01 h GLU 245 N 0.39 0.76 -0.09 4.80 5.08 -0.71 -2.38 114.58 122.43 3i01 h GLU 245 Ca 0.36 -0.40 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 3i01 h GLU 245 Cb 0.85 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.12 3i01 h GLU 245 CO -0.11 1.03 -0.84 1.25 -1.00 0.00 0.00 179.01 179.34 3i01 h HIS 246 N 0.53 0.92 -0.03 4.33 2.76 -1.03 -0.58 115.15 122.04 3i01 h HIS 246 Ca 0.05 -0.43 0.04 0.00 -2.20 0.00 0.00 60.37 57.82 3i01 h HIS 246 Cb 0.89 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.66 3i01 h HIS 246 CO 0.07 1.25 -0.35 0.82 -1.30 0.00 0.00 177.93 178.42 3i01 h ILE 247 N 0.43 0.25 -0.66 6.26 2.04 -1.49 -1.44 117.51 122.89 3i01 h ILE 247 Ca -0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.89 3i01 h ILE 247 Cb 1.46 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 3i01 h ILE 247 CO 0.16 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.60 3i01 h ALA 248 N 0.20 0.89 -0.15 1.87 0.00 -1.16 -0.69 119.26 120.22 3i01 h ALA 248 Ca 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i01 h ALA 248 Cb 0.59 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i01 h ALA 248 CO -0.30 -0.14 -0.01 1.15 0.00 0.00 0.00 179.25 179.94 3i01 h THR 249 N 0.48 1.27 -0.66 0.00 2.02 -1.08 0.76 112.91 115.70 3i01 h THR 249 Ca 0.33 -0.90 0.07 0.00 0.77 0.00 0.00 66.41 66.69 3i01 h THR 249 Cb 0.40 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 3i01 h THR 249 CO -0.30 0.26 0.35 0.44 0.37 0.00 0.00 175.52 176.64 3i01 h ASP 250 N -0.01 0.48 0.87 4.18 3.32 -1.01 -2.14 116.42 122.10 3i01 h ASP 250 Ca 0.04 0.04 -0.23 0.00 0.02 0.00 0.00 57.03 56.90 3i01 h ASP 250 Cb 0.41 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3i01 h ASP 250 CO 0.01 0.30 -1.16 -0.26 -1.72 0.00 0.00 179.24 176.42 3i01 h PHE 251 N 0.62 0.06 -0.55 4.55 -1.00 -1.05 -1.74 116.94 117.83 3i01 h PHE 251 Ca 0.31 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 61.07 3i01 h PHE 251 Cb 0.25 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 3i01 h PHE 251 CO -0.10 1.04 0.34 0.77 -1.61 0.00 0.00 178.31 178.75 3i01 h SER 252 N 0.01 0.55 -0.32 2.17 0.02 -0.77 -0.49 113.55 114.72 3i01 h SER 252 Ca -0.07 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3i01 h SER 252 Cb 1.84 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.24 3i01 h SER 252 CO 0.13 0.39 -0.18 0.44 -1.14 0.00 0.00 176.83 176.47 3i01 h ASP 253 N 0.67 0.79 -0.44 3.07 3.32 -1.34 -0.08 116.42 122.40 3i01 h ASP 253 Ca 0.22 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 3i01 h ASP 253 Cb 0.01 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3i01 h ASP 253 CO -0.09 0.96 0.02 0.40 -1.72 0.00 0.00 179.24 178.81 3i01 h ILE 254 N 0.69 1.26 -0.05 0.35 2.04 -1.25 -1.57 117.51 118.99 3i01 h ILE 254 Ca 0.10 -0.99 -0.15 0.00 1.00 0.00 0.00 64.86 64.82 3i01 h ILE 254 Cb 0.68 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3i01 h ILE 254 CO 0.05 0.34 -0.65 -0.07 0.00 0.00 0.00 178.15 177.82 3i01 h LEU 255 N 0.61 0.22 -0.32 1.44 3.38 -0.99 -0.75 115.31 118.89 3i01 h LEU 255 Ca 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i01 h LEU 255 Cb 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3i01 h LEU 255 CO 0.02 0.81 0.00 0.49 0.09 0.00 0.00 178.44 179.84 3i01 n PHE 256 N -3.82 0.00 0.00 1.13 0.99 -0.05 -4.02 117.46 111.69 3i01 n PHE 256 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3i01 n PHE 256 Cb 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.13 3i01 n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i01 n GLY 257 N 0.26 2.15 3.71 1.37 0.00 -0.59 -4.98 105.19 107.11 3i01 n GLY 257 Ca 0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3i01 n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i01 s THR 258 N -1.25 3.45 0.25 2.61 2.01 -1.21 -4.39 115.64 117.11 3i01 s THR 258 Ca 0.00 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.70 3i01 s THR 258 Cb 0.00 -3.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.73 3i01 s THR 258 CO 0.00 0.06 1.29 -2.65 -0.69 0.00 0.00 174.62 172.63 3i01 n PRO 259 N 4.27 1.80 -4.32 4.92 -0.02 -1.26 -5.03 135.00 135.36 3i01 n PRO 259 Ca 0.12 0.64 -0.25 0.00 -2.02 0.00 0.00 63.50 61.98 3i01 n PRO 259 Cb 0.43 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 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 -0.83 2.07 0.25 -0.52 -0.21 -1.21 -4.09 119.66 115.12 3i01 s GLN 260 Ca 0.65 -1.39 -0.31 0.00 0.02 0.00 0.00 55.36 54.33 3i01 s GLN 260 Cb -0.68 -2.10 -0.13 0.00 1.00 0.00 0.00 33.01 31.11 3i01 s GLN 260 CO 0.54 0.40 1.52 -2.30 -2.12 0.00 0.00 175.29 173.33 3i01 n PRO 261 N -0.35 2.37 -3.97 2.91 -0.02 -1.19 -4.27 135.00 130.48 3i01 n PRO 261 Ca -0.09 0.84 -0.12 0.00 -2.02 0.00 0.00 63.50 62.12 3i01 n PRO 261 Cb 0.57 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 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 0.14 0.15 -0.21 -1.45 0.11 0.14 -4.95 120.40 114.34 3i01 s VAL 262 Ca 0.68 -0.41 -0.12 0.00 -2.93 0.00 0.00 61.98 59.20 3i01 s VAL 262 Cb -0.58 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 3i01 s VAL 262 CO 0.47 -0.17 0.21 -0.69 -3.33 0.00 0.00 175.10 171.59 3i01 s VAL 263 N -0.58 5.34 0.00 2.04 1.01 -1.26 -1.52 120.40 125.42 3i01 s VAL 263 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3i01 s VAL 263 Cb -0.04 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3i01 s VAL 263 CO -0.00 0.37 0.00 -0.24 0.00 0.00 0.00 175.10 175.22 3i01 n SER 264 N 3.96 0.00 -4.09 3.32 2.88 0.24 -4.88 113.62 115.06 3i01 n SER 264 Ca -0.14 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.31 3i01 n SER 264 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 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 1.51 0.95 0.04 -1.46 2.02 -1.26 -0.94 118.70 119.56 3i01 s GLU 265 Ca 0.00 -1.34 -0.14 0.00 0.02 0.00 0.00 54.97 53.51 3i01 s GLU 265 Cb 0.00 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.53 3i01 s GLU 265 CO 0.00 -0.28 0.32 0.00 0.02 0.00 0.00 175.26 175.31 3i01 s ALA 266 N -4.01 -0.73 0.00 5.21 0.00 -0.62 -2.77 121.76 118.83 3i01 s ALA 266 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3i01 s ALA 266 Cb 0.06 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.48 3i01 s ALA 266 CO -0.00 -0.40 0.00 -1.71 0.00 0.00 0.00 175.76 173.64 3i01 n ASN 267 N 0.64 0.00 0.33 0.00 2.85 0.05 -0.56 115.26 118.56 3i01 n ASN 267 Ca -0.19 0.00 0.22 0.00 -0.11 0.00 0.00 54.58 54.50 3i01 n ASN 267 Cb 0.59 0.00 1.13 0.00 1.24 0.00 0.00 39.78 42.74 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 -1.43 -2.21 114.93 115.36 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 0.01 0.41 1.06 0.00 0.00 176.91 178.39 3i01 n GLY 269 N -0.94 -0.25 0.21 8.32 0.00 0.25 -1.80 105.19 110.99 3i01 n GLY 269 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3i01 n GLY 269 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i01 h VAL 270 N 0.00 0.24 -4.15 1.61 -1.51 -1.62 -3.45 116.25 107.37 3i01 h VAL 270 Ca 0.00 -1.20 -0.53 0.00 -1.23 0.00 0.00 66.70 63.74 3i01 h VAL 270 Cb 0.02 1.99 0.13 0.00 -2.13 0.00 0.00 31.29 31.30 3i01 h VAL 270 CO 0.00 0.13 0.43 -0.76 -1.23 0.00 0.00 177.57 176.13 3i01 s LEU 271 N -6.32 3.46 -0.11 4.19 1.43 -0.74 -5.05 118.68 115.54 3i01 s LEU 271 Ca 0.05 2.34 -0.03 0.00 -1.03 0.00 0.00 54.13 55.46 3i01 s LEU 271 Cb 0.07 -4.59 0.04 0.00 0.03 0.00 0.00 46.19 41.74 3i01 s LEU 271 CO 0.66 -1.93 0.05 -0.62 0.23 0.00 0.00 176.35 174.74 3i01 s ASP 272 N -1.91 1.88 0.62 2.29 -1.08 -1.26 -5.04 116.67 112.16 3i01 s ASP 272 Ca 0.75 -0.30 0.34 0.00 -0.52 0.00 0.00 52.55 52.82 3i01 s ASP 272 Cb -0.29 -0.31 2.01 0.00 -1.46 0.00 0.00 42.92 42.87 3i01 s ASP 272 CO 0.40 -0.27 2.29 1.55 0.52 0.00 0.00 175.17 179.66 3i01 h PRO 273 N 8.38 0.00 -0.15 4.34 0.13 -1.96 -2.29 132.00 140.44 3i01 h PRO 273 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3i01 h PRO 273 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3i01 h PRO 273 CO 0.25 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.77 3i01 n ASP 274 N -3.61 3.12 -4.74 1.44 8.00 -1.26 -4.90 116.55 114.59 3i01 n ASP 274 Ca -0.03 -1.98 -0.22 0.00 0.71 0.00 0.00 54.79 53.27 3i01 n ASP 274 Cb 0.08 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.78 2.52 -0.36 -1.24 -0.21 -0.86 -0.52 119.66 117.22 3i01 s GLN 275 Ca 0.31 -1.36 -0.29 0.00 0.02 0.00 0.00 55.36 54.05 3i01 s GLN 275 Cb 0.20 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 3i01 s GLN 275 CO 0.30 0.26 1.62 0.08 -2.12 0.00 0.00 175.29 175.43 3i01 s VAL 276 N -2.31 3.67 -0.31 1.09 1.01 -0.13 -4.84 120.40 118.57 3i01 s VAL 276 Ca 0.35 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.84 3i01 s VAL 276 Cb -0.05 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3i01 s VAL 276 CO 0.23 -0.55 0.51 0.20 0.00 0.00 0.00 175.10 175.49 3i01 s ASN 277 N 5.04 6.36 -0.23 3.32 0.01 -1.26 0.42 114.94 128.59 3i01 s ASN 277 Ca 0.71 0.21 0.02 0.00 -0.71 0.00 0.00 52.86 53.09 3i01 s ASN 277 Cb -0.19 -2.27 0.05 0.00 0.41 0.00 0.00 41.25 39.25 3i01 s ASN 277 CO 0.33 -0.39 -0.10 0.12 -1.51 0.00 0.00 177.10 175.55 3i01 s PHE 278 N 2.36 2.80 -0.14 2.20 5.36 0.05 0.05 117.98 130.64 3i01 s PHE 278 Ca 0.20 -1.95 -0.12 0.00 -0.96 0.00 0.00 56.93 54.09 3i01 s PHE 278 Cb -0.15 -1.77 -0.05 0.00 -0.34 0.00 0.00 43.02 40.71 3i01 s PHE 278 CO 0.12 -0.81 0.25 0.08 -1.46 0.00 0.00 175.22 173.39 3i01 s VAL 279 N 1.26 5.33 -0.38 3.12 1.01 0.10 -1.13 120.40 129.71 3i01 s VAL 279 Ca -0.05 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 3i01 s VAL 279 Cb -0.18 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3i01 s VAL 279 CO -0.07 0.45 0.23 -0.76 0.00 0.00 0.00 175.10 174.95 3i01 s LEU 280 N 0.07 4.82 0.24 3.92 1.43 0.09 -1.12 118.68 128.14 3i01 s LEU 280 Ca 0.15 -1.01 0.08 0.00 -1.03 0.00 0.00 54.13 52.32 3i01 s LEU 280 Cb -0.13 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 3i01 s LEU 280 CO 0.04 -0.41 -0.11 -2.28 0.23 0.00 0.00 176.35 173.82 3i01 s HIS 281 N 1.57 1.86 0.00 0.29 2.46 -1.04 -1.15 115.29 119.28 3i01 s HIS 281 Ca 0.02 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 54.94 3i01 s HIS 281 Cb -0.19 -0.95 0.00 0.00 -0.13 0.00 0.00 32.58 31.31 3i01 s HIS 281 CO 0.07 0.35 0.00 0.41 -2.47 0.00 0.00 174.74 173.10 3i01 n GLY 282 N -0.49 0.47 0.00 1.59 0.00 -1.26 -3.31 105.19 102.20 3i01 n GLY 282 Ca -0.07 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3i01 n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i01 n HIS 283 N 0.00 0.00 -3.45 1.61 8.25 -1.14 -1.65 115.22 118.83 3i01 n HIS 283 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3i01 n HIS 283 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.38 6.16 0.00 0.41 3.84 -1.26 -4.03 114.94 118.68 3i01 s ASN 284 Ca 0.00 0.04 0.07 0.00 0.21 0.00 0.00 52.86 53.18 3i01 s ASN 284 Cb 0.00 -2.18 0.38 0.00 -0.55 0.00 0.00 41.25 38.90 3i01 s ASN 284 CO 0.00 -0.19 1.07 -0.81 -2.79 0.00 0.00 177.10 174.38 3i01 n PRO 285 N 5.26 0.12 0.25 0.43 -0.04 -1.26 -1.74 135.00 138.01 3i01 n PRO 285 Ca -0.10 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 3i01 n PRO 285 Cb 0.51 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.11 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 -1.94 115.31 116.29 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i01 h LEU 286 CO 0.00 0.12 -0.38 0.25 0.09 0.00 0.00 178.44 178.53 3i01 h LEU 287 N 0.00 0.00 -0.98 1.67 5.85 -1.77 -3.39 115.31 116.69 3i01 h LEU 287 Ca -0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3i01 h LEU 287 Cb 0.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3i01 h LEU 287 CO 0.02 0.64 0.64 0.77 -0.34 0.00 0.00 178.44 180.16 3i01 h SER 288 N -0.90 1.05 0.25 1.25 4.64 -1.60 -1.18 113.55 117.06 3i01 h SER 288 Ca 0.00 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3i01 h SER 288 Cb 0.38 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3i01 h SER 288 CO 0.00 0.70 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.10 3i01 h GLU 289 N 1.21 0.00 0.01 4.77 4.39 -1.61 -0.94 114.58 122.41 3i01 h GLU 289 Ca 0.40 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.84 3i01 h GLU 289 Cb 0.06 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3i01 h GLU 289 CO -0.14 0.23 -1.39 0.82 -1.16 0.00 0.00 179.01 177.37 3i01 h ILE 290 N 0.00 1.25 -0.37 3.13 1.08 -1.45 -2.76 117.51 118.38 3i01 h ILE 290 Ca -0.00 -3.02 -0.01 0.00 -0.39 0.00 0.00 64.86 61.43 3i01 h ILE 290 Cb 0.42 2.63 -0.02 0.00 -3.07 0.00 0.00 36.82 36.78 3i01 h ILE 290 CO 0.03 0.73 0.19 0.40 -0.69 0.00 0.00 178.15 178.81 3i01 h ILE 291 N 0.01 1.16 -0.19 -0.67 1.08 -1.13 0.23 117.51 117.99 3i01 h ILE 291 Ca -0.16 -0.42 0.05 0.00 -0.39 0.00 0.00 64.86 63.93 3i01 h ILE 291 Cb 1.91 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 36.35 3i01 h ILE 291 CO 0.11 0.16 -0.15 0.58 -0.69 0.00 0.00 178.15 178.16 3i01 h VAL 292 N 0.47 0.58 -0.46 1.67 2.07 -1.15 -1.00 116.25 118.44 3i01 h VAL 292 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3i01 h VAL 292 Cb 0.09 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3i01 h VAL 292 CO -0.02 0.00 0.30 -0.61 0.02 0.00 0.00 177.57 177.26 3i01 h GLN 293 N -0.16 0.61 -0.27 1.57 5.75 -1.35 -2.76 115.11 118.50 3i01 h GLN 293 Ca 0.11 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3i01 h GLN 293 Cb 0.33 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 3i01 h GLN 293 CO -0.28 0.41 0.05 0.00 -2.65 0.00 0.00 178.83 176.36 3i01 h ALA 294 N 1.16 1.59 -0.49 3.38 0.00 -0.68 -2.74 119.26 121.48 3i01 h ALA 294 Ca 0.17 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3i01 h ALA 294 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3i01 h ALA 294 CO -0.03 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.41 3i01 h ALA 295 N 1.68 0.86 -0.11 0.00 0.00 -0.90 -1.52 119.26 119.27 3i01 h ALA 295 Ca 0.09 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3i01 h ALA 295 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i01 h ALA 295 CO -0.00 0.64 -0.25 -0.09 0.00 0.00 0.00 179.25 179.56 3i01 h ARG 296 N 0.82 0.20 0.00 0.00 2.43 -1.37 0.09 114.38 116.55 3i01 h ARG 296 Ca 0.13 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3i01 h ARG 296 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3i01 h ARG 296 CO 0.04 0.44 -0.03 0.39 -1.51 0.00 0.00 179.97 179.30 3i01 n GLU 297 N -4.18 0.20 -0.16 0.20 1.02 -0.98 -4.05 120.64 112.68 3i01 n GLU 297 Ca -0.01 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 3i01 n GLU 297 Cb 0.35 -1.72 0.19 0.00 -0.02 0.00 0.00 31.44 30.23 3i01 n GLU 297 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3i01 n MET 298 N -2.07 2.35 -0.23 3.49 2.81 -0.02 -4.56 117.12 118.90 3i01 n MET 298 Ca 0.06 -2.16 0.05 0.00 -1.81 0.00 0.00 57.70 53.84 3i01 n MET 298 Cb 0.41 -1.46 0.30 0.00 -0.71 0.00 0.00 33.22 31.76 3i01 n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3i01 h GLU 299 N 4.06 0.85 -0.58 0.03 4.39 -1.60 -1.03 114.58 120.70 3i01 h GLU 299 Ca 0.00 -0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.74 3i01 h GLU 299 Cb 0.92 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 3i01 h GLU 299 CO 0.00 0.56 0.18 0.78 -1.16 0.00 0.00 179.01 179.37 3i01 h GLY 300 N 0.88 0.78 1.04 -3.84 0.00 -1.91 -1.85 103.07 98.16 3i01 h GLY 300 Ca 0.34 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.45 3i01 h GLY 300 CO -0.12 -0.05 -0.35 0.83 0.00 0.00 0.00 176.54 176.85 3i01 h GLU 301 N 0.34 0.80 -0.09 4.80 5.08 -1.53 -0.73 114.58 123.26 3i01 h GLU 301 Ca 0.29 -0.44 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3i01 h GLU 301 Cb 0.39 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3i01 h GLU 301 CO -0.33 1.07 -0.45 0.00 -1.00 0.00 0.00 179.01 178.31 3i01 h ALA 302 N 0.72 -0.68 0.00 3.43 0.00 -1.29 -2.67 119.26 118.77 3i01 h ALA 302 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3i01 h ALA 302 Cb 0.94 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3i01 h ALA 302 CO 0.09 -0.97 -0.48 0.87 0.00 0.00 0.00 179.25 178.75 3i01 h LYS 303 N -0.54 0.00 0.00 0.00 1.57 -1.19 0.22 116.57 116.62 3i01 h LYS 303 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3i01 h LYS 303 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3i01 h LYS 303 CO -0.38 0.48 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 3i01 n ALA 304 N -2.42 1.78 0.87 3.86 0.00 -0.29 -2.80 120.51 121.51 3i01 n ALA 304 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.47 3i01 n ALA 304 Cb 0.51 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.75 3i01 n ALA 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i01 n ALA 305 N -1.49 2.70 0.00 0.00 0.00 0.74 -4.93 120.51 117.54 3i01 n ALA 305 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3i01 n ALA 305 Cb 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 1.21 1.49 3.79 0.00 0.00 -1.12 -4.78 105.19 105.78 3i01 n GLY 306 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.23 3.06 -1.64 4.61 0.00 -0.98 -4.95 121.76 119.63 3i01 s ALA 307 Ca 0.00 0.64 0.26 0.00 0.00 0.00 0.00 51.96 52.86 3i01 s ALA 307 Cb 0.00 -3.25 1.38 0.00 0.00 0.00 0.00 23.12 21.25 3i01 s ALA 307 CO 0.00 -0.17 1.87 1.63 0.00 0.00 0.00 175.76 179.10 3i01 n LYS 308 N -0.22 0.53 0.00 0.00 4.01 0.32 -3.80 118.16 119.00 3i01 n LYS 308 Ca 0.06 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 3i01 n LYS 308 Cb 0.51 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 3i01 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i01 n GLY 309 N 0.77 0.79 3.55 0.72 0.00 -1.26 -4.98 105.19 104.78 3i01 n GLY 309 Ca 0.15 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.89 5.05 -0.67 -0.61 1.01 -1.26 -0.96 121.20 121.86 3i01 s ILE 310 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 3i01 s ILE 310 Cb 0.00 -3.42 0.17 0.00 0.01 0.00 0.00 42.46 39.22 3i01 s ILE 310 CO 0.00 0.24 0.59 0.21 0.00 0.00 0.00 174.94 175.98 3i01 s ASN 311 N 1.72 6.24 -0.00 3.58 2.47 0.17 -4.93 114.94 124.18 3i01 s ASN 311 Ca 0.07 -2.36 -0.25 0.00 0.42 0.00 0.00 52.86 50.74 3i01 s ASN 311 Cb -0.16 -2.13 -0.04 0.00 -1.45 0.00 0.00 41.25 37.47 3i01 s ASN 311 CO 0.09 -0.64 0.76 -0.76 -3.72 0.00 0.00 177.10 172.84 3i01 s LEU 312 N 0.69 4.39 0.03 3.21 1.43 -1.26 -0.77 118.68 126.40 3i01 s LEU 312 Ca 0.12 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 3i01 s LEU 312 Cb -0.19 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 3i01 s LEU 312 CO -0.04 -0.06 -0.02 0.68 0.23 0.00 0.00 176.35 177.14 3i01 s VAL 313 N 0.39 0.15 0.21 -1.59 -7.23 -0.29 -4.34 120.40 107.71 3i01 s VAL 313 Ca 0.40 -1.27 0.11 0.00 -1.81 0.00 0.00 61.98 59.41 3i01 s VAL 313 Cb -0.19 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 3i01 s VAL 313 CO 0.22 -0.70 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.26 3i01 s GLY 314 N -2.08 1.75 0.00 2.32 0.00 0.25 -0.73 107.32 108.82 3i01 s GLY 314 Ca -0.06 -1.68 0.05 0.00 0.00 0.00 0.00 44.72 43.02 3i01 s GLY 314 CO -0.05 -1.72 -0.14 -0.42 0.00 0.00 0.00 173.10 170.77 3i01 s ILE 315 N -1.85 1.12 0.00 0.90 1.01 -0.30 -0.39 121.20 121.69 3i01 s ILE 315 Ca 0.23 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3i01 s ILE 315 Cb -0.07 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.44 3i01 s ILE 315 CO 0.11 0.24 0.00 0.00 0.00 0.00 0.00 174.94 175.30 3i01 h THR 318 N 1.14 1.20 -0.36 0.00 1.03 -1.45 0.18 112.91 114.66 3i01 h THR 318 Ca 0.32 -0.90 -0.17 0.00 -0.01 0.00 0.00 66.41 65.66 3i01 h THR 318 Cb -0.11 1.34 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 3i01 h THR 318 CO -0.07 0.27 -0.43 1.23 -0.01 0.00 0.00 175.52 176.51 3i01 h GLY 319 N 0.81 0.99 0.83 2.99 0.00 -0.98 -1.41 103.07 106.29 3i01 h GLY 319 Ca 0.03 -1.05 0.04 0.00 0.00 0.00 0.00 47.33 46.35 3i01 h GLY 319 CO 0.03 0.95 0.46 3.43 0.00 0.00 0.00 176.54 181.41 3i01 h ASN 320 N 0.73 0.75 0.04 0.19 2.35 -0.52 0.14 115.58 119.25 3i01 h ASN 320 Ca 0.05 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3i01 h ASN 320 Cb 1.03 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 3i01 h ASN 320 CO 0.10 0.51 -0.10 -0.33 -1.65 0.00 0.00 177.43 175.96 3i01 h GLU 321 N 0.89 -0.18 0.00 0.81 4.39 -0.29 -0.26 114.58 119.94 3i01 h GLU 321 Ca 0.31 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3i01 h GLU 321 Cb 0.06 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3i01 h GLU 321 CO -0.13 -0.12 0.00 -0.39 -1.16 0.00 0.00 179.01 177.21 3i01 h VAL 322 N -0.19 0.00 0.06 3.13 -1.51 -1.14 -2.72 116.25 113.88 3i01 h VAL 322 Ca 0.02 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3i01 h VAL 322 Cb 0.21 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3i01 h VAL 322 CO -0.07 0.00 -0.03 0.25 -1.23 0.00 0.00 177.57 176.49 3i01 h LEU 323 N 0.00 -0.07 -1.55 4.19 5.85 -0.30 0.16 115.31 123.59 3i01 h LEU 323 Ca 0.00 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3i01 h LEU 323 Cb 0.79 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3i01 h LEU 323 CO 0.00 0.38 0.37 0.24 -0.34 0.00 0.00 178.44 179.09 3i01 h MET 324 N -0.54 0.54 0.00 1.25 2.86 -0.98 -0.06 114.93 118.00 3i01 h MET 324 Ca -0.01 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.40 3i01 h MET 324 Cb 0.47 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 3i01 h MET 324 CO 0.01 0.36 -1.73 0.54 1.06 0.00 0.00 176.91 177.15 3i01 n ARG 325 N -4.47 1.51 -0.03 1.72 1.74 -1.03 -4.25 116.66 111.85 3i01 n ARG 325 Ca 0.07 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.22 3i01 n ARG 325 Cb 0.21 -1.27 0.05 0.00 -1.02 0.00 0.00 32.46 30.43 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 -2.59 0.69 -1.68 5.56 1.13 -0.01 -4.96 117.38 115.52 3i01 n GLN 326 Ca -0.20 -1.18 -0.19 0.00 -1.94 0.00 0.00 57.00 53.49 3i01 n GLN 326 Cb 0.80 -1.17 -0.07 0.00 0.11 0.00 0.00 30.24 29.91 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 0.44 1.55 3.73 1.08 0.00 -0.04 -4.94 105.19 107.02 3i01 n GLY 327 Ca 0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.75 3.08 0.78 -0.61 -1.09 -0.86 -4.75 121.20 115.00 3i01 s ILE 328 Ca 0.00 0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 59.14 3i01 s ILE 328 Cb 0.00 -3.54 0.07 0.00 -1.58 0.00 0.00 42.46 37.41 3i01 s ILE 328 CO 0.00 0.10 1.14 -2.16 -1.23 0.00 0.00 174.94 172.79 3i01 s PRO 329 N 0.33 1.95 -0.15 2.79 0.04 -1.26 -3.96 135.00 134.74 3i01 s PRO 329 Ca 0.61 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 3i01 s PRO 329 Cb -0.38 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3i01 s PRO 329 CO 0.36 -1.92 0.38 -0.51 0.04 0.00 0.00 177.00 175.35 3i01 s LEU 330 N -5.75 4.25 -0.07 -3.56 1.43 -1.12 -0.59 118.68 113.28 3i01 s LEU 330 Ca 0.67 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 54.24 3i01 s LEU 330 Cb -0.22 -2.53 -0.30 0.00 0.03 0.00 0.00 46.19 43.17 3i01 s LEU 330 CO 0.51 0.04 0.71 1.62 0.23 0.00 0.00 176.35 179.46 3i01 h VAL 331 N 4.74 1.18 -2.08 -1.59 3.04 -0.98 0.18 116.25 120.74 3i01 h VAL 331 Ca -0.40 -2.48 0.06 0.00 -1.01 0.00 0.00 66.70 62.86 3i01 h VAL 331 Cb 1.17 2.89 -0.01 0.00 -2.01 0.00 0.00 31.29 33.33 3i01 h VAL 331 CO 0.75 0.74 0.26 1.07 -1.01 0.00 0.00 177.57 179.38 3i01 n THR 332 N -3.92 0.00 -4.39 3.17 5.66 -1.25 -2.45 114.28 111.11 3i01 n THR 332 Ca -0.21 -0.29 -0.18 0.00 -3.05 0.00 0.00 64.05 60.33 3i01 n THR 332 Cb 0.92 0.37 -0.04 0.00 -1.55 0.00 0.00 70.33 70.03 3i01 n THR 332 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3i01 n SER 333 N -0.95 2.16 -0.14 1.09 3.41 -1.26 -3.98 113.62 113.93 3i01 n SER 333 Ca -0.01 -2.31 -0.14 0.00 -0.26 0.00 0.00 58.87 56.15 3i01 n SER 333 Cb 0.27 0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 3i01 n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i01 h PHE 334 N 1.25 -1.70 0.00 7.33 3.57 -1.94 -2.92 116.94 122.53 3i01 h PHE 334 Ca -0.23 0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 3i01 h PHE 334 Cb 0.75 0.80 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 3i01 h PHE 334 CO 0.00 -0.49 -0.21 0.00 -2.23 0.00 0.00 178.31 175.38 3i01 h ALA 335 N -0.01 1.28 -0.43 2.41 0.00 -1.98 -2.87 119.26 117.66 3i01 h ALA 335 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i01 h ALA 335 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i01 h ALA 335 CO -0.60 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 177.78 3i01 n SER 336 N -3.75 4.76 -0.30 0.00 3.41 -1.15 -4.66 113.62 111.93 3i01 n SER 336 Ca -0.01 -2.92 0.04 0.00 -0.26 0.00 0.00 58.87 55.72 3i01 n SER 336 Cb 0.32 -0.60 0.18 0.00 -0.26 0.00 0.00 64.21 63.85 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 2.94 0.75 -0.02 4.33 3.07 -1.32 -1.23 115.11 123.63 3i01 h GLN 337 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 3i01 h GLN 337 Cb 1.67 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 29.06 3i01 h GLN 337 CO 0.34 0.50 -0.10 0.93 0.09 0.00 0.00 178.83 180.58 3i01 h GLU 338 N 0.77 0.03 0.00 0.06 5.08 -1.86 -3.10 114.58 115.56 3i01 h GLU 338 Ca 0.42 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 3i01 h GLU 338 Cb 0.42 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3i01 h GLU 338 CO -0.27 0.14 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.48 3i01 h LEU 339 N 0.03 0.00 -0.82 1.33 -0.00 -1.57 -2.08 115.31 112.20 3i01 h LEU 339 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 3i01 h LEU 339 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 3i01 h LEU 339 CO 0.01 0.33 0.03 0.00 -0.00 0.00 0.00 178.44 178.82 3i01 h ALA 340 N 1.67 1.02 -0.17 1.53 0.00 -1.46 -1.99 119.26 119.86 3i01 h ALA 340 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3i01 h ALA 340 Cb 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i01 h ALA 340 CO 0.04 0.61 -0.28 0.82 0.00 0.00 0.00 179.25 180.45 3i01 h ILE 341 N 0.85 1.26 0.00 0.00 2.04 -1.49 -2.90 117.51 117.27 3i01 h ILE 341 Ca 0.17 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3i01 h ILE 341 Cb 0.46 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3i01 h ILE 341 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 178.15 178.55 3i01 h THR 343 N 0.00 0.00 0.00 0.00 1.35 -1.37 -3.45 112.91 109.44 3i01 h THR 343 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3i01 h THR 343 Cb 0.16 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3i01 h THR 343 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3i01 n GLY 344 N -0.85 1.30 1.10 5.82 0.00 -0.08 -1.06 105.19 111.43 3i01 n GLY 344 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 0.71 2.37 -2.60 4.61 0.00 -1.26 -4.80 120.51 119.54 3i01 n ALA 345 Ca 0.00 -1.11 -0.41 0.00 0.00 0.00 0.00 53.44 51.93 3i01 n ALA 345 Cb 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 3i01 n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i01 s ILE 346 N -1.20 5.01 -0.06 0.00 -1.09 -1.26 -4.33 121.20 118.27 3i01 s ILE 346 Ca 0.38 0.76 -0.12 0.00 -2.23 0.00 0.00 60.65 59.44 3i01 s ILE 346 Cb 0.21 -3.91 -0.30 0.00 -1.58 0.00 0.00 42.46 36.88 3i01 s ILE 346 CO 0.29 -0.05 0.65 0.44 -1.23 0.00 0.00 174.94 175.03 3i01 h ASP 347 N 8.17 0.57 -4.68 3.58 3.32 -0.71 -3.38 116.42 123.29 3i01 h ASP 347 Ca -0.28 -0.92 -0.11 0.00 0.02 0.00 0.00 57.03 55.73 3i01 h ASP 347 Cb 1.13 -0.19 -0.21 0.00 0.22 0.00 0.00 39.33 40.28 3i01 h ASP 347 CO 0.76 1.75 -0.23 0.00 -1.72 0.00 0.00 179.24 179.80 3i01 s ALA 348 N -2.55 -0.93 -0.26 3.45 0.00 -1.05 -2.74 121.76 117.68 3i01 s ALA 348 Ca -0.17 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3i01 s ALA 348 Cb 0.05 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 23.09 3i01 s ALA 348 CO 0.84 -0.25 -0.08 1.41 0.00 0.00 0.00 175.76 177.68 3i01 s MET 349 N -0.89 2.45 -0.24 0.00 1.75 -0.63 0.03 119.30 121.76 3i01 s MET 349 Ca -0.10 -1.22 -0.07 0.00 -1.25 0.00 0.00 55.69 53.05 3i01 s MET 349 Cb -0.04 -2.96 -0.03 0.00 2.84 0.00 0.00 34.83 34.65 3i01 s MET 349 CO 0.04 -0.52 0.06 0.00 -0.65 0.00 0.00 175.02 173.95 3i01 s VAL 351 N 1.56 2.08 0.00 0.00 -7.23 0.41 -2.49 120.40 114.73 3i01 s VAL 351 Ca 0.06 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3i01 s VAL 351 Cb -0.15 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3i01 s VAL 351 CO 0.03 -0.36 0.00 -0.90 -0.31 0.00 0.00 175.10 173.56 3i01 n ASP 352 N -0.11 0.00 -3.98 4.85 5.68 -1.21 -2.48 116.55 119.31 3i01 n ASP 352 Ca -0.10 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.08 3i01 n ASP 352 Cb 0.58 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.45 3i01 n ASP 352 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3i01 s VAL 353 N 0.00 0.21 0.03 2.12 -7.23 -1.26 -4.51 120.40 109.76 3i01 s VAL 353 Ca 0.00 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 3i01 s VAL 353 Cb 0.00 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.63 3i01 s VAL 353 CO 0.00 -0.35 0.00 0.00 -0.31 0.00 0.00 175.10 174.44 3i01 n GLN 354 N 1.89 -0.44 -2.55 4.82 6.02 -1.26 -2.90 117.38 122.96 3i01 n GLN 354 Ca -0.21 0.32 -0.19 0.00 -0.01 0.00 0.00 57.00 56.91 3i01 n GLN 354 Cb 0.56 -0.35 0.01 0.00 1.02 0.00 0.00 30.24 31.47 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 -2.98 4.11 -0.24 0.00 1.01 -1.26 -4.90 121.20 116.95 3i01 s ILE 356 Ca 0.10 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 3i01 s ILE 356 Cb -0.04 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 3i01 s ILE 356 CO 0.12 0.10 1.34 -0.04 0.00 0.00 0.00 174.94 176.46 3i01 s MET 357 N 1.53 4.01 0.00 2.79 -1.94 -1.26 -4.83 119.30 119.60 3i01 s MET 357 Ca 0.03 1.46 0.22 0.00 -1.71 0.00 0.00 55.69 55.69 3i01 s MET 357 Cb -0.17 -3.87 1.28 0.00 2.01 0.00 0.00 34.83 34.09 3i01 s MET 357 CO 0.03 -1.00 1.67 -0.35 -0.01 0.00 0.00 175.02 175.36 3i01 n PRO 358 N 7.13 0.69 0.26 2.03 -0.04 -1.26 -1.81 135.00 142.01 3i01 n PRO 358 Ca 0.15 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.76 3i01 n PRO 358 Cb 0.46 -1.49 0.66 0.00 -0.04 0.00 0.00 33.50 33.09 3i01 n PRO 358 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i01 h SER 359 N 0.00 0.00 -1.25 3.54 4.64 -1.99 -3.04 113.55 115.45 3i01 h SER 359 Ca 0.00 0.00 0.36 0.00 -0.47 0.00 0.00 61.79 61.68 3i01 h SER 359 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3i01 h SER 359 CO 0.00 0.09 0.87 0.16 -0.87 0.00 0.00 176.83 177.07 3i01 h ILE 360 N 0.00 0.36 -0.17 0.95 3.07 -1.76 0.41 117.51 120.37 3i01 h ILE 360 Ca -0.00 -0.04 -0.14 0.00 1.55 0.00 0.00 64.86 66.23 3i01 h ILE 360 Cb 0.53 0.24 -0.01 0.00 -0.27 0.00 0.00 36.82 37.31 3i01 h ILE 360 CO 0.01 0.02 -0.50 0.77 -1.05 0.00 0.00 178.15 177.40 3i01 h SER 361 N 0.11 0.50 0.40 2.16 4.64 -1.78 0.98 113.55 120.55 3i01 h SER 361 Ca 0.64 -0.25 -0.31 0.00 -0.47 0.00 0.00 61.79 61.41 3i01 h SER 361 Cb 2.27 -0.14 0.02 0.00 -0.31 0.00 0.00 62.40 64.24 3i01 h SER 361 CO -0.13 0.91 -1.37 0.00 -0.87 0.00 0.00 176.83 175.37 3i01 h ALA 362 N 1.10 -0.05 0.32 5.18 0.00 -0.52 -2.62 119.26 122.68 3i01 h ALA 362 Ca 0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3i01 h ALA 362 Cb 1.00 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i01 h ALA 362 CO 0.09 0.80 -0.21 0.28 0.00 0.00 0.00 179.25 180.21 3i01 h VAL 363 N 0.13 0.55 -0.67 0.00 2.07 -0.90 -2.87 116.25 114.57 3i01 h VAL 363 Ca -0.20 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.51 3i01 h VAL 363 Cb 2.07 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 3i01 h VAL 363 CO 0.25 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.33 3i01 h ALA 364 N 0.12 2.61 -0.10 1.67 0.00 -0.84 -1.90 119.26 120.81 3i01 h ALA 364 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 364 Cb 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3i01 h ALA 364 CO 0.02 -0.84 -0.06 1.49 0.00 0.00 0.00 179.25 179.86 3i01 h GLU 365 N 0.00 0.15 0.00 0.00 4.81 -1.22 -2.25 114.58 116.07 3i01 h GLU 365 Ca 0.32 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3i01 h GLU 365 Cb 1.30 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 3i01 h GLU 365 CO -0.00 0.22 -0.09 0.00 -0.73 0.00 0.00 179.01 178.41 3i01 n TYR 367 N -3.32 0.00 -0.97 0.00 4.02 -0.85 -5.04 117.16 111.00 3i01 n TYR 367 Ca -0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.91 3i01 n TYR 367 Cb 0.28 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 39.97 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 2.16 -2.85 -0.72 8.25 -1.26 -5.00 115.22 115.80 3i01 n HIS 368 Ca 0.00 -0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 56.14 3i01 n HIS 368 Cb 0.00 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.50 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 -2.86 4.85 -0.25 1.59 2.01 -1.23 -4.87 115.64 114.88 3i01 s THR 369 Ca 0.54 1.82 -0.20 0.00 0.31 0.00 0.00 61.69 64.16 3i01 s THR 369 Cb 0.42 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3i01 s THR 369 CO 0.15 0.24 0.61 -0.13 -0.69 0.00 0.00 174.62 174.80 3i01 s ARG 370 N 0.64 4.12 -0.11 4.92 1.81 -1.11 -4.71 118.95 124.51 3i01 s ARG 370 Ca 0.45 0.52 -0.17 0.00 -1.72 0.00 0.00 55.73 54.81 3i01 s ARG 370 Cb -0.20 -3.64 -0.04 0.00 -0.45 0.00 0.00 34.95 30.61 3i01 s ARG 370 CO 0.25 -0.38 0.43 0.42 -0.68 0.00 0.00 175.30 175.34 3i01 s ILE 371 N 2.40 5.19 -0.23 1.52 -1.09 -1.26 -1.61 121.20 126.11 3i01 s ILE 371 Ca 0.26 0.86 0.01 0.00 -2.23 0.00 0.00 60.65 59.55 3i01 s ILE 371 Cb -0.16 -3.77 0.06 0.00 -1.58 0.00 0.00 42.46 37.01 3i01 s ILE 371 CO 0.09 0.37 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.47 3i01 s ILE 372 N 0.36 1.66 0.40 2.92 1.01 0.03 -1.44 121.20 126.15 3i01 s ILE 372 Ca 0.24 -1.24 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 3i01 s ILE 372 Cb -0.15 -1.85 -0.09 0.00 0.01 0.00 0.00 42.46 40.37 3i01 s ILE 372 CO 0.09 -0.03 0.86 0.42 0.00 0.00 0.00 174.94 176.29 3i01 s THR 373 N 1.35 4.56 0.00 2.92 -4.23 0.12 -0.44 115.64 119.92 3i01 s THR 373 Ca -0.05 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.62 3i01 s THR 373 Cb -0.18 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3i01 s THR 373 CO -0.06 -0.35 0.00 0.35 -0.54 0.00 0.00 174.62 174.02 3i01 n THR 374 N -0.75 0.00 -4.06 3.99 -2.24 -1.03 -0.49 114.28 109.70 3i01 n THR 374 Ca 0.05 -0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3i01 n THR 374 Cb 0.54 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 69.30 3i01 n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i01 s ALA 375 N -0.37 3.42 -0.33 6.98 0.00 -1.26 -2.06 121.76 128.13 3i01 s ALA 375 Ca 0.00 -0.74 0.23 0.00 0.00 0.00 0.00 51.96 51.45 3i01 s ALA 375 Cb 0.00 -1.85 1.09 0.00 0.00 0.00 0.00 23.12 22.36 3i01 s ALA 375 CO 0.00 0.27 1.71 -0.40 0.00 0.00 0.00 175.76 177.34 3i01 n ASP 376 N 3.22 0.65 -0.90 0.00 5.68 -1.26 -2.23 116.55 121.71 3i01 n ASP 376 Ca -0.17 0.72 0.08 0.00 -0.50 0.00 0.00 54.79 54.92 3i01 n ASP 376 Cb 0.53 -0.83 0.19 0.00 -1.14 0.00 0.00 41.12 39.87 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 -2.28 3.17 -3.50 -1.12 0.23 -1.26 -4.76 115.26 105.74 3i01 n ASN 377 Ca 0.01 -1.93 -0.29 0.00 -0.53 0.00 0.00 54.58 51.84 3i01 n ASN 377 Cb 0.15 -0.27 -0.14 0.00 -2.08 0.00 0.00 39.78 37.45 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 -1.10 0.70 0.20 -2.53 0.00 -0.95 -5.05 121.76 113.03 3i01 s ALA 378 Ca 0.32 -1.39 0.09 0.00 0.00 0.00 0.00 51.96 50.97 3i01 s ALA 378 Cb 0.17 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3i01 s ALA 378 CO 0.23 -1.85 -0.05 0.15 0.00 0.00 0.00 175.76 174.24 3i01 s LYS 379 N 1.67 2.19 -0.18 0.00 1.02 -1.26 -4.46 119.74 118.72 3i01 s LYS 379 Ca 0.13 -1.26 -0.05 0.00 0.02 0.00 0.00 55.97 54.81 3i01 s LYS 379 Cb -0.19 -2.20 0.06 0.00 -0.52 0.00 0.00 37.83 34.98 3i01 s LYS 379 CO -0.20 0.42 0.10 0.42 -0.92 0.00 0.00 175.35 175.17 3i01 s ILE 380 N -1.85 -0.11 0.47 2.17 1.01 -1.26 -5.10 121.20 116.54 3i01 s ILE 380 Ca 0.27 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.51 3i01 s ILE 380 Cb -0.08 -0.59 -0.08 0.00 0.01 0.00 0.00 42.46 41.72 3i01 s ILE 380 CO 0.17 -0.28 1.28 -2.65 0.00 0.00 0.00 174.94 173.46 3i01 n PRO 381 N 5.28 1.82 0.00 2.79 -0.02 -1.26 -1.84 135.00 141.77 3i01 n PRO 381 Ca -0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3i01 n PRO 381 Cb 0.49 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3i01 n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i01 n GLY 382 N 0.81 2.79 3.88 -1.23 0.00 -1.26 -4.88 105.19 105.30 3i01 n GLY 382 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.37 3.72 0.24 4.61 0.00 -0.77 -4.94 121.76 123.24 3i01 s ALA 383 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 3i01 s ALA 383 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 3i01 s ALA 383 CO 0.00 0.60 1.32 0.71 0.00 0.00 0.00 175.76 178.39 3i01 s TYR 384 N -1.65 3.20 -0.14 0.00 4.12 -0.52 -4.85 117.35 117.52 3i01 s TYR 384 Ca 0.41 1.26 0.00 0.00 0.02 0.00 0.00 57.07 58.76 3i01 s TYR 384 Cb -0.12 -3.63 -0.01 0.00 -1.52 0.00 0.00 41.96 36.68 3i01 s TYR 384 CO 0.22 -1.91 -0.14 -1.58 0.02 0.00 0.00 175.55 172.16 3i01 s HIS 385 N -0.22 2.79 -0.19 2.71 5.65 -1.26 0.15 115.29 124.92 3i01 s HIS 385 Ca 0.55 -0.79 -0.04 0.00 0.25 0.00 0.00 55.06 55.03 3i01 s HIS 385 Cb -0.38 -1.86 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 3i01 s HIS 385 CO 0.42 -0.31 -0.04 0.42 -0.65 0.00 0.00 174.74 174.58 3i01 s ILE 386 N 0.53 3.62 -1.07 0.89 1.01 0.36 -4.97 121.20 121.57 3i01 s ILE 386 Ca -0.09 -0.43 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 3i01 s ILE 386 Cb -0.16 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.70 3i01 s ILE 386 CO 0.04 0.45 1.71 -0.62 0.00 0.00 0.00 174.94 176.51 3i01 s ASP 387 N 1.00 6.01 -0.07 3.58 2.15 -1.26 -3.99 116.67 124.09 3i01 s ASP 387 Ca 0.01 -1.49 -0.30 0.00 0.43 0.00 0.00 52.55 51.19 3i01 s ASP 387 Cb -0.15 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 3i01 s ASP 387 CO 0.01 -1.98 1.10 -0.47 -0.17 0.00 0.00 175.17 173.65 3i01 s TYR 388 N 7.01 3.37 -0.04 -5.34 5.04 -0.87 -5.02 117.35 121.49 3i01 s TYR 388 Ca 0.57 1.42 0.02 0.00 -2.44 0.00 0.00 57.07 56.64 3i01 s TYR 388 Cb -0.01 -3.30 0.01 0.00 0.35 0.00 0.00 41.96 39.01 3i01 s TYR 388 CO -0.00 -0.74 -0.10 -0.65 -1.34 0.00 0.00 175.55 172.71 3i01 s GLN 389 N 2.04 1.26 0.45 4.97 -1.52 -1.26 -4.91 119.66 120.70 3i01 s GLN 389 Ca 0.52 -0.35 0.23 0.00 -1.95 0.00 0.00 55.36 53.81 3i01 s GLN 389 Cb -0.22 -1.12 1.23 0.00 -0.22 0.00 0.00 33.01 32.68 3i01 s GLN 389 CO 0.20 0.08 1.84 1.79 -0.25 0.00 0.00 175.29 178.95 3i01 h THR 390 N 5.66 0.59 -0.47 -0.19 1.35 -1.96 -2.03 112.91 115.86 3i01 h THR 390 Ca -0.33 -0.09 -0.05 0.00 -0.55 0.00 0.00 66.41 65.39 3i01 h THR 390 Cb 1.17 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 3i01 h THR 390 CO 0.48 0.05 0.09 0.00 -0.25 0.00 0.00 175.52 175.89 3i01 h ALA 391 N 1.58 1.28 -0.25 6.62 0.00 -1.95 -3.22 119.26 123.32 3i01 h ALA 391 Ca 0.49 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 3i01 h ALA 391 Cb 1.47 -0.19 -0.19 0.00 0.00 0.00 0.00 17.79 18.87 3i01 h ALA 391 CO -0.15 0.50 -0.68 0.25 0.00 0.00 0.00 179.25 179.17 3i01 n THR 392 N -4.28 2.05 0.11 0.00 -2.24 -0.82 -4.69 114.28 104.42 3i01 n THR 392 Ca 0.03 -3.32 -0.13 0.00 -2.27 0.00 0.00 64.05 58.36 3i01 n THR 392 Cb 0.23 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.44 -0.46 -0.49 6.98 0.00 -1.43 -2.50 119.26 122.81 3i01 h ALA 393 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3i01 h ALA 393 Cb 1.26 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 3i01 h ALA 393 CO 0.25 -0.81 0.27 0.97 0.00 0.00 0.00 179.25 179.93 3i01 h ILE 394 N -0.48 0.99 -0.89 0.00 6.09 -1.89 0.91 117.51 122.25 3i01 h ILE 394 Ca 0.03 -0.18 0.10 0.00 -1.37 0.00 0.00 64.86 63.44 3i01 h ILE 394 Cb 0.51 0.42 -0.07 0.00 0.47 0.00 0.00 36.82 38.14 3i01 h ILE 394 CO -0.16 0.10 0.53 -0.08 -3.07 0.00 0.00 178.15 175.47 3i01 h GLU 395 N 0.53 0.86 -0.43 2.19 4.81 -1.89 -0.33 114.58 120.32 3i01 h GLU 395 Ca 0.21 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3i01 h GLU 395 Cb 0.08 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3i01 h GLU 395 CO -0.13 0.57 -0.26 0.77 -0.73 0.00 0.00 179.01 179.23 3i01 h SER 396 N 0.89 0.96 -0.59 1.04 0.02 -0.89 -2.16 113.55 112.82 3i01 h SER 396 Ca 0.43 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3i01 h SER 396 Cb 0.37 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3i01 h SER 396 CO -0.24 1.16 0.21 0.00 -1.14 0.00 0.00 176.83 176.82 3i01 h ALA 397 N 0.90 0.78 -0.57 3.77 0.00 -0.44 -2.30 119.26 121.40 3i01 h ALA 397 Ca 0.09 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3i01 h ALA 397 Cb 0.83 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3i01 h ALA 397 CO 0.07 0.42 0.17 0.87 0.00 0.00 0.00 179.25 180.78 3i01 h LYS 398 N 0.83 0.90 -0.35 0.00 1.57 -0.93 -1.91 116.57 116.68 3i01 h LYS 398 Ca 0.19 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3i01 h LYS 398 Cb 0.25 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3i01 h LYS 398 CO -0.01 0.81 0.08 1.15 -0.57 0.00 0.00 179.45 180.91 3i01 h THR 399 N 0.81 0.84 -0.65 -0.16 2.02 -1.26 -0.15 112.91 114.36 3i01 h THR 399 Ca 0.18 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3i01 h THR 399 Cb 0.30 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3i01 h THR 399 CO -0.00 0.04 0.39 0.00 0.37 0.00 0.00 175.52 176.31 3i01 h ALA 400 N 1.25 0.83 -0.96 6.16 0.00 -1.32 -0.88 119.26 124.35 3i01 h ALA 400 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i01 h ALA 400 Cb 0.18 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3i01 h ALA 400 CO -0.21 0.32 0.63 0.82 0.00 0.00 0.00 179.25 180.81 3i01 h ILE 401 N 0.89 1.19 -0.30 0.00 2.04 -1.06 -2.18 117.51 118.08 3i01 h ILE 401 Ca 0.23 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3i01 h ILE 401 Cb -0.01 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 3i01 h ILE 401 CO -0.04 0.22 -0.03 0.03 0.00 0.00 0.00 178.15 178.33 3i01 h ARG 402 N 1.23 0.48 -0.38 2.37 3.08 -0.57 -1.13 114.38 119.46 3i01 h ARG 402 Ca 0.37 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3i01 h ARG 402 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3i01 h ARG 402 CO -0.10 0.53 0.25 0.52 -1.07 0.00 0.00 179.97 180.10 3i01 h MET 403 N 0.46 0.51 -0.49 0.04 2.86 -0.71 -2.41 114.93 115.19 3i01 h MET 403 Ca 0.10 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3i01 h MET 403 Cb 0.35 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3i01 h MET 403 CO 0.01 0.35 0.03 0.00 1.06 0.00 0.00 176.91 178.36 3i01 h ALA 404 N 1.13 1.14 -0.60 6.32 0.00 -1.01 -2.16 119.26 124.08 3i01 h ALA 404 Ca 0.14 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3i01 h ALA 404 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i01 h ALA 404 CO -0.03 0.56 0.07 0.82 0.00 0.00 0.00 179.25 180.67 3i01 h ILE 405 N 0.75 1.26 -0.40 0.00 2.04 -1.08 -1.28 117.51 118.80 3i01 h ILE 405 Ca 0.15 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.92 3i01 h ILE 405 Cb 0.41 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3i01 h ILE 405 CO 0.01 0.38 0.01 -0.33 0.00 0.00 0.00 178.15 178.23 3i01 h GLU 406 N 0.91 0.64 -0.17 2.37 4.39 -1.31 -2.09 114.58 119.31 3i01 h GLU 406 Ca 0.18 -0.15 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 3i01 h GLU 406 Cb 0.46 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3i01 h GLU 406 CO 0.02 0.65 -0.39 0.00 -1.16 0.00 0.00 179.01 178.12 3i01 h ALA 407 N 1.41 1.00 0.55 3.43 0.00 -1.11 -2.43 119.26 122.12 3i01 h ALA 407 Ca 0.13 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3i01 h ALA 407 Cb 0.36 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i01 h ALA 407 CO 0.01 0.61 -0.27 0.35 0.00 0.00 0.00 179.25 179.96 3i01 h PHE 408 N 0.33 -0.69 -0.74 0.00 3.57 -0.90 -1.33 116.94 117.17 3i01 h PHE 408 Ca 0.03 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.68 3i01 h PHE 408 Cb 0.84 0.23 -0.11 0.00 2.79 0.00 0.00 35.95 39.70 3i01 h PHE 408 CO 0.02 -0.38 0.19 0.87 -2.23 0.00 0.00 178.31 176.79 3i01 h LYS 409 N -0.88 0.28 -0.00 1.11 1.57 -1.36 0.29 116.57 117.58 3i01 h LYS 409 Ca -0.08 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3i01 h LYS 409 Cb 0.62 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3i01 h LYS 409 CO 0.12 0.18 -0.15 0.93 -0.57 0.00 0.00 179.45 179.97 3i01 h GLU 410 N 0.28 0.00 0.19 3.15 5.08 -1.38 -2.24 114.58 119.67 3i01 h GLU 410 Ca 0.42 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 3i01 h GLU 410 Cb 0.72 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3i01 h GLU 410 CO -0.51 0.15 -0.09 -0.09 -1.00 0.00 0.00 179.01 177.47 3i01 h ARG 411 N 0.00 -0.25 -0.90 2.33 2.43 0.62 -2.98 114.38 115.63 3i01 h ARG 411 Ca -0.00 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3i01 h ARG 411 Cb 0.26 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 3i01 h ARG 411 CO 0.02 0.15 0.55 0.87 -1.51 0.00 0.00 179.97 180.04 3i01 h LYS 412 N -0.79 0.90 0.00 0.20 1.79 -0.55 -3.13 116.57 114.99 3i01 h LYS 412 Ca -0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3i01 h LYS 412 Cb 0.52 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3i01 h LYS 412 CO 0.04 0.59 -0.83 1.05 -1.08 0.00 0.00 179.45 179.23 3i01 h GLU 413 N 0.93 0.00 -0.00 3.15 4.11 -1.48 -3.25 114.58 118.03 3i01 h GLU 413 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 3i01 h GLU 413 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3i01 h GLU 413 CO -0.23 0.00 -0.21 -1.13 0.07 0.00 0.00 179.01 177.51 3i01 n SER 414 N -2.28 0.27 -2.30 3.06 3.41 -1.13 -4.88 113.62 109.78 3i01 n SER 414 Ca 0.02 0.04 -0.07 0.00 -0.26 0.00 0.00 58.87 58.60 3i01 n SER 414 Cb 0.48 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 3i01 n SER 414 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i01 n ASN 415 N -1.41 -2.44 -4.76 4.04 3.02 -1.22 -4.88 115.26 107.61 3i01 n ASN 415 Ca 0.08 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.53 3i01 n ASN 415 Cb 0.33 -2.19 -0.01 0.00 -0.61 0.00 0.00 39.78 37.30 3i01 n ASN 415 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i01 s ARG 416 N -4.69 4.13 1.00 3.52 1.04 -1.25 -4.93 118.95 117.77 3i01 s ARG 416 Ca 0.00 2.55 -0.13 0.00 -1.04 0.00 0.00 55.73 57.11 3i01 s ARG 416 Cb 0.00 -3.01 0.19 0.00 -2.04 0.00 0.00 34.95 30.09 3i01 s ARG 416 CO 0.00 -0.58 1.11 -1.25 -0.04 0.00 0.00 175.30 174.54 3i01 s PRO 417 N -1.01 0.42 -0.12 3.89 0.04 -1.26 -4.92 135.00 132.03 3i01 s PRO 417 Ca 0.59 0.39 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 3i01 s PRO 417 Cb -0.47 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.36 3i01 s PRO 417 CO 0.52 -2.71 0.30 0.08 0.04 0.00 0.00 177.00 175.24 3i01 s VAL 418 N -3.06 -0.01 -0.18 -0.36 1.01 -1.26 -4.71 120.40 111.82 3i01 s VAL 418 Ca 0.66 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 3i01 s VAL 418 Cb -0.17 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.82 3i01 s VAL 418 CO 0.56 0.02 -0.03 -0.47 0.00 0.00 0.00 175.10 175.18 3i01 s TYR 419 N 0.53 1.63 -0.30 5.22 5.04 -0.22 -5.03 117.35 124.22 3i01 s TYR 419 Ca -0.03 -1.11 -0.03 0.00 -2.44 0.00 0.00 57.07 53.46 3i01 s TYR 419 Cb -0.05 -1.27 0.04 0.00 0.35 0.00 0.00 41.96 41.03 3i01 s TYR 419 CO -0.03 -0.63 0.02 0.42 -1.34 0.00 0.00 175.55 173.99 3i01 s ILE 420 N 1.66 3.22 0.25 3.14 1.01 -1.26 -4.38 121.20 124.83 3i01 s ILE 420 Ca -0.01 -1.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 3i01 s ILE 420 Cb -0.16 -2.78 -0.14 0.00 0.01 0.00 0.00 42.46 39.38 3i01 s ILE 420 CO -0.07 -0.05 1.14 -2.65 0.00 0.00 0.00 174.94 173.31 3i01 n PRO 421 N 4.69 1.48 -2.52 2.79 -0.02 -1.26 -4.82 135.00 135.33 3i01 n PRO 421 Ca -0.14 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 3i01 n PRO 421 Cb 0.45 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3i01 n PRO 421 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i01 n GLN 422 N 1.22 5.23 -3.94 -0.52 1.13 -1.26 -2.66 117.38 116.58 3i01 n GLN 422 Ca 0.11 -4.46 -0.24 0.00 -1.94 0.00 0.00 57.00 50.48 3i01 n GLN 422 Cb 0.30 -2.48 -0.17 0.00 0.11 0.00 0.00 30.24 28.00 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 -3.94 0.64 -0.14 5.09 1.01 -1.26 -4.92 121.20 117.68 3i01 s ILE 423 Ca 0.42 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 3i01 s ILE 423 Cb 0.20 -0.72 0.09 0.00 0.01 0.00 0.00 42.46 42.04 3i01 s ILE 423 CO -0.14 0.29 0.80 -1.59 0.00 0.00 0.00 174.94 174.30 3i01 s LYS 424 N 1.60 0.86 0.13 2.79 -2.85 -1.26 0.86 119.74 121.87 3i01 s LYS 424 Ca 0.01 0.40 0.11 0.00 -1.00 0.00 0.00 55.97 55.48 3i01 s LYS 424 Cb -0.13 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.01 3i01 s LYS 424 CO -0.04 -0.23 -0.26 -0.80 0.10 0.00 0.00 175.35 174.12 3i01 s ASN 425 N -0.75 3.19 0.60 0.03 0.01 0.27 -4.94 114.94 113.35 3i01 s ASN 425 Ca -0.05 -0.74 -0.20 0.00 -0.71 0.00 0.00 52.86 51.15 3i01 s ASN 425 Cb -0.01 -0.21 -0.03 0.00 0.41 0.00 0.00 41.25 41.41 3i01 s ASN 425 CO 0.05 0.16 1.32 -0.60 -1.51 0.00 0.00 177.10 176.51 3i01 s ARG 426 N -2.06 2.83 -0.03 -0.60 3.52 -1.26 -1.59 118.95 119.75 3i01 s ARG 426 Ca 0.13 2.13 0.01 0.00 -0.13 0.00 0.00 55.73 57.87 3i01 s ARG 426 Cb -0.10 -2.03 0.02 0.00 -1.56 0.00 0.00 34.95 31.28 3i01 s ARG 426 CO 0.06 -1.40 -0.02 0.08 -0.81 0.00 0.00 175.30 173.21 3i01 s VAL 427 N -1.36 0.30 -0.19 7.11 1.01 -0.11 -3.63 120.40 123.53 3i01 s VAL 427 Ca 0.78 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.70 3i01 s VAL 427 Cb -0.39 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3i01 s VAL 427 CO 0.43 0.17 0.06 -0.69 0.00 0.00 0.00 175.10 175.07 3i01 s VAL 428 N 0.99 4.70 0.00 2.92 1.01 0.11 -0.59 120.40 129.53 3i01 s VAL 428 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3i01 s VAL 428 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3i01 s VAL 428 CO -0.01 0.44 0.00 0.00 0.00 0.00 0.00 175.10 175.53 3i01 n ALA 429 N 3.72 0.00 -1.04 5.51 0.00 -0.58 -4.62 120.51 123.51 3i01 n ALA 429 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i01 n ALA 429 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i01 n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i01 n GLY 430 N 0.58 0.65 3.34 0.00 0.00 -1.23 -0.69 105.19 107.84 3i01 n GLY 430 Ca 0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.93 4.42 -1.07 1.61 7.02 -0.60 -3.15 117.44 122.74 3i01 n TRP 431 Ca 0.00 -3.04 -0.30 0.00 -1.02 0.00 0.00 57.50 53.14 3i01 n TRP 431 Cb 0.15 -2.38 0.16 0.00 -2.42 0.00 0.00 31.31 26.82 3i01 n TRP 431 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3i01 s SER 432 N 3.15 3.00 0.33 -0.99 1.04 -1.26 -4.19 113.70 114.79 3i01 s SER 432 Ca 0.47 1.53 0.09 0.00 0.48 0.00 0.00 55.95 58.52 3i01 s SER 432 Cb 0.03 -2.19 0.57 0.00 0.10 0.00 0.00 66.02 64.53 3i01 s SER 432 CO 0.02 -2.94 1.76 0.25 0.98 0.00 0.00 173.24 173.31 3i01 h LEU 433 N -1.76 0.17 -0.59 2.42 5.85 -1.92 -1.42 115.31 118.07 3i01 h LEU 433 Ca -0.51 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.18 3i01 h LEU 433 Cb 1.29 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3i01 h LEU 433 CO 0.53 0.53 0.35 -0.33 -0.34 0.00 0.00 178.44 179.19 3i01 h GLU 434 N 0.15 0.67 -0.51 1.25 3.07 -1.92 0.23 114.58 117.51 3i01 h GLU 434 Ca 0.02 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 3i01 h GLU 434 Cb 0.72 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 3i01 h GLU 434 CO 0.05 0.44 0.05 0.00 -1.40 0.00 0.00 179.01 178.15 3i01 h ALA 435 N 1.27 0.68 -0.44 3.43 0.00 -1.75 -0.18 119.26 122.28 3i01 h ALA 435 Ca 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3i01 h ALA 435 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3i01 h ALA 435 CO -0.11 0.45 0.12 -0.07 0.00 0.00 0.00 179.25 179.64 3i01 h LEU 436 N 0.74 0.65 -0.63 0.00 3.38 -1.07 -1.72 115.31 116.66 3i01 h LEU 436 Ca 0.15 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3i01 h LEU 436 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3i01 h LEU 436 CO 0.02 0.70 0.42 0.74 0.09 0.00 0.00 178.44 180.40 3i01 h THR 437 N 0.57 1.17 -0.36 0.22 2.02 -0.45 0.13 112.91 116.21 3i01 h THR 437 Ca 0.14 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3i01 h THR 437 Cb 0.29 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3i01 h THR 437 CO -0.00 0.16 0.23 0.50 0.37 0.00 0.00 175.52 176.78 3i01 h LYS 438 N 0.86 0.45 -0.17 6.66 3.64 -0.81 -0.56 116.57 126.64 3i01 h LYS 438 Ca 0.23 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3i01 h LYS 438 Cb -0.09 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.57 3i01 h LYS 438 CO -0.05 0.30 -0.21 1.25 -2.27 0.00 0.00 179.45 178.47 3i01 h LEU 439 N 0.47 -0.65 -1.52 5.20 5.85 -0.77 -2.60 115.31 121.29 3i01 h LEU 439 Ca 0.13 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3i01 h LEU 439 Cb -0.04 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3i01 h LEU 439 CO -0.04 -0.25 0.02 -0.07 -0.34 0.00 0.00 178.44 177.76 3i01 h LEU 440 N -0.24 0.29 -1.39 2.25 3.38 -0.54 -3.10 115.31 115.96 3i01 h LEU 440 Ca 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3i01 h LEU 440 Cb 0.41 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i01 h LEU 440 CO -0.31 0.34 -0.14 0.00 0.09 0.00 0.00 178.44 178.41 3i01 h ALA 441 N 1.71 1.06 -0.46 1.53 0.00 -0.71 -1.71 119.26 120.67 3i01 h ALA 441 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i01 h ALA 441 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i01 h ALA 441 CO 0.00 0.18 0.16 1.79 0.00 0.00 0.00 179.25 181.38 3i01 h THR 442 N 0.00 1.18 0.44 0.00 1.35 -1.43 -1.29 112.91 113.15 3i01 h THR 442 Ca -0.00 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 3i01 h THR 442 Cb 0.59 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3i01 h THR 442 CO 0.02 0.23 -0.21 1.56 -0.25 0.00 0.00 175.52 176.87 3i01 h GLN 443 N 0.66 -0.57 -2.71 4.72 1.08 -1.49 -3.44 115.11 113.35 3i01 h GLN 443 Ca 0.16 0.04 -0.51 0.00 -1.45 0.00 0.00 58.65 56.88 3i01 h GLN 443 Cb 0.17 0.13 -0.39 0.00 -0.05 0.00 0.00 27.48 27.34 3i01 h GLN 443 CO -0.01 -0.28 -0.77 1.21 -0.95 0.00 0.00 178.83 178.03 3i01 s ASN 444 N -4.90 3.31 0.31 1.46 3.84 -0.79 -5.02 114.94 113.15 3i01 s ASN 444 Ca -0.12 -1.31 0.10 0.00 0.21 0.00 0.00 52.86 51.74 3i01 s ASN 444 Cb 0.01 -0.27 0.51 0.00 -0.55 0.00 0.00 41.25 40.96 3i01 s ASN 444 CO 0.41 -0.42 1.71 0.00 -2.79 0.00 0.00 177.10 176.00 3i01 h ALA 445 N 8.28 1.16 -0.39 1.71 0.00 -1.51 -2.56 119.26 125.96 3i01 h ALA 445 Ca -0.17 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 3i01 h ALA 445 Cb 1.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3i01 h ALA 445 CO 0.42 0.62 -0.25 1.96 0.00 0.00 0.00 179.25 181.99 3i01 h GLN 446 N 0.04 0.80 -2.01 0.00 7.50 -1.96 -3.39 115.11 116.09 3i01 h GLN 446 Ca -0.00 -0.34 -0.53 0.00 0.50 0.00 0.00 58.65 58.27 3i01 h GLN 446 Cb 0.88 -0.03 -0.36 0.00 0.05 0.00 0.00 27.48 28.02 3i01 h GLN 446 CO 0.07 0.97 -0.98 -1.71 -1.50 0.00 0.00 178.83 175.67 3i01 n ASN 447 N -4.10 -0.53 -0.10 1.46 2.85 -1.20 -5.01 115.26 108.62 3i01 n ASN 447 Ca -0.00 -2.58 -0.06 0.00 -0.11 0.00 0.00 54.58 51.83 3i01 n ASN 447 Cb 0.46 -0.32 0.02 0.00 1.24 0.00 0.00 39.78 41.17 3i01 n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i01 h PRO 448 N 4.85 0.15 -0.35 1.20 0.11 -1.66 -1.28 132.00 135.01 3i01 h PRO 448 Ca 0.15 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.36 3i01 h PRO 448 Cb 0.92 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3i01 h PRO 448 CO 0.38 0.10 0.30 0.97 -0.21 0.00 0.00 178.00 179.54 3i01 h ILE 449 N 0.15 0.59 0.00 4.15 6.09 -1.91 -1.79 117.51 124.79 3i01 h ILE 449 Ca 0.17 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.65 3i01 h ILE 449 Cb 0.21 0.77 -0.00 0.00 0.47 0.00 0.00 36.82 38.28 3i01 h ILE 449 CO -0.25 0.00 -0.04 -0.09 -3.07 0.00 0.00 178.15 174.70 3i01 h ARG 450 N 0.00 0.00 -0.40 2.19 9.65 -1.60 -2.40 114.38 121.81 3i01 h ARG 450 Ca 0.17 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 3i01 h ARG 450 Cb 0.77 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 3i01 h ARG 450 CO -0.00 0.04 0.16 0.28 2.80 0.00 0.00 179.97 183.25 3i01 h VAL 451 N 0.00 1.20 -0.02 0.20 2.07 -1.44 0.40 116.25 118.65 3i01 h VAL 451 Ca -0.00 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3i01 h VAL 451 Cb 0.18 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3i01 h VAL 451 CO 0.00 0.22 -0.04 0.25 0.02 0.00 0.00 177.57 178.02 3i01 h LEU 452 N 0.51 0.07 -0.73 2.57 5.85 -1.61 -3.00 115.31 118.96 3i01 h LEU 452 Ca 0.13 -0.60 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3i01 h LEU 452 Cb 0.19 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3i01 h LEU 452 CO -0.01 0.66 0.45 0.78 -0.34 0.00 0.00 178.44 179.98 3i01 h ASN 453 N -0.52 0.72 -0.37 1.25 2.35 -1.37 -1.72 115.58 115.92 3i01 h ASN 453 Ca -0.00 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 3i01 h ASN 453 Cb 0.65 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3i01 h ASN 453 CO 0.01 0.48 -0.25 -0.61 -1.65 0.00 0.00 177.43 175.41 3i01 h GLN 454 N 0.85 0.87 -0.77 0.81 5.75 -0.28 0.26 115.11 122.60 3i01 h GLN 454 Ca 0.31 -0.38 0.04 0.00 -0.15 0.00 0.00 58.65 58.47 3i01 h GLN 454 Cb 0.09 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 3i01 h GLN 454 CO -0.14 1.02 0.49 0.00 -2.65 0.00 0.00 178.83 177.55 3i01 h ALA 455 N 0.96 1.03 -0.12 3.38 0.00 -1.33 0.76 119.26 123.93 3i01 h ALA 455 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3i01 h ALA 455 Cb 0.80 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i01 h ALA 455 CO 0.07 0.27 -0.02 0.82 0.00 0.00 0.00 179.25 180.39 3i01 h ILE 456 N 0.93 1.28 -0.63 0.00 2.04 -0.77 -0.33 117.51 120.03 3i01 h ILE 456 Ca 0.32 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3i01 h ILE 456 Cb 0.05 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3i01 h ILE 456 CO -0.13 0.26 0.38 -0.07 0.00 0.00 0.00 178.15 178.59 3i01 h LEU 457 N -0.07 0.75 -1.23 1.44 3.38 0.47 -1.67 115.31 118.36 3i01 h LEU 457 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i01 h LEU 457 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i01 h LEU 457 CO 0.01 0.59 0.00 0.44 0.09 0.00 0.00 178.44 179.56 3i01 h ASP 458 N 0.85 0.00 0.00 -0.43 3.32 0.46 -3.47 116.42 117.15 3i01 h ASP 458 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3i01 h ASP 458 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3i01 h ASP 458 CO -0.04 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.09 3i01 n GLY 459 N -0.01 0.74 0.23 2.75 0.00 -0.63 -4.91 105.19 103.36 3i01 n GLY 459 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3i01 n GLY 459 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i01 h GLU 460 N 3.78 0.22 -6.72 1.61 4.81 -1.33 -3.44 114.58 113.50 3i01 h GLU 460 Ca 0.00 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.54 3i01 h GLU 460 Cb 0.00 -0.05 -0.19 0.00 0.63 0.00 0.00 28.75 29.14 3i01 h GLU 460 CO 0.00 0.14 -0.80 -0.51 -0.73 0.00 0.00 179.01 177.11 3i01 s LEU 461 N -10.56 2.69 0.42 1.64 1.43 -0.74 -3.83 118.68 109.73 3i01 s LEU 461 Ca -0.13 -0.57 0.22 0.00 -1.03 0.00 0.00 54.13 52.62 3i01 s LEU 461 Cb 0.18 -1.53 0.84 0.00 0.03 0.00 0.00 46.19 45.71 3i01 s LEU 461 CO 0.74 0.18 1.80 0.00 0.23 0.00 0.00 176.35 179.29 3i01 h ALA 462 N 3.71 1.03 0.00 4.21 0.00 -0.89 -3.38 119.26 123.95 3i01 h ALA 462 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3i01 h ALA 462 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3i01 h ALA 462 CO 0.46 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.47 3i01 n GLY 463 N 0.14 0.68 3.32 0.00 0.00 -1.26 -4.76 105.19 103.31 3i01 n GLY 463 Ca -0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3i01 n GLY 463 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 464 N -2.50 2.14 -0.01 1.61 1.01 -0.81 -1.70 120.40 120.14 3i01 s VAL 464 Ca 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.95 3i01 s VAL 464 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3i01 s VAL 464 CO 0.00 0.58 -0.14 0.00 0.00 0.00 0.00 175.10 175.54 3i01 s ALA 465 N -0.57 1.22 -0.16 5.51 0.00 -0.73 -1.15 121.76 125.86 3i01 s ALA 465 Ca 0.09 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 3i01 s ALA 465 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 3i01 s ALA 465 CO -0.00 0.29 -0.01 -1.17 0.00 0.00 0.00 175.76 174.86 3i01 s LEU 466 N -0.28 3.39 -0.09 0.00 1.98 -0.35 -0.77 118.68 122.56 3i01 s LEU 466 Ca 0.04 -0.08 0.01 0.00 -2.89 0.00 0.00 54.13 51.21 3i01 s LEU 466 Cb -0.06 -1.83 -0.02 0.00 0.66 0.00 0.00 46.19 44.94 3i01 s LEU 466 CO -0.00 0.17 -0.11 -0.63 -1.89 0.00 0.00 176.35 173.88 3i01 s ILE 467 N 0.39 3.28 0.27 6.68 -1.09 -0.75 -0.41 121.20 129.57 3i01 s ILE 467 Ca -0.02 -0.62 -0.08 0.00 -2.23 0.00 0.00 60.65 57.70 3i01 s ILE 467 Cb -0.14 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.40 3i01 s ILE 467 CO 0.02 0.56 0.45 0.00 -1.23 0.00 0.00 174.94 174.74 3i01 n GLY 469 N -0.43 -2.40 0.00 0.00 0.00 -1.26 -4.05 105.19 97.05 3i01 n GLY 469 Ca -0.01 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3i01 n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 s ASN 471 N -1.00 5.59 -0.08 0.00 0.02 -1.22 -4.33 114.94 113.93 3i01 s ASN 471 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 52.86 51.81 3i01 s ASN 471 Cb 0.00 -1.52 0.04 0.00 0.02 0.00 0.00 41.25 39.80 3i01 s ASN 471 CO 0.00 0.16 0.13 0.21 0.02 0.00 0.00 177.10 177.62 3i01 s ASN 472 N -2.45 0.97 0.00 -1.22 3.84 -0.85 -4.38 114.94 110.85 3i01 s ASN 472 Ca 0.30 0.19 0.26 0.00 0.21 0.00 0.00 52.86 53.82 3i01 s ASN 472 Cb -0.12 0.12 1.49 0.00 -0.55 0.00 0.00 41.25 42.19 3i01 s ASN 472 CO 0.23 -0.25 1.89 0.18 -2.79 0.00 0.00 177.10 176.35 3i01 n LEU 473 N 5.31 0.00 -0.35 3.21 4.77 -1.26 -2.03 117.00 126.65 3i01 n LEU 473 Ca -0.04 0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.15 3i01 n LEU 473 Cb 0.50 -0.07 0.34 0.00 -2.33 0.00 0.00 43.42 41.86 3i01 n LEU 473 CO 0.05 -0.01 1.19 0.11 -1.33 0.00 0.00 177.39 177.40 3i01 h LYS 474 N 0.00 0.70 -6.20 3.23 1.57 -1.95 -3.41 116.57 110.51 3i01 h LYS 474 Ca 0.00 -0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 58.19 3i01 h LYS 474 Cb 0.06 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 3i01 h LYS 474 CO 0.00 0.46 -0.55 0.20 -0.57 0.00 0.00 179.45 178.99 3i01 s GLY 475 N -3.77 1.61 0.27 3.86 0.00 -0.86 -0.94 107.32 107.49 3i01 s GLY 475 Ca -0.11 -1.28 -0.30 0.00 0.00 0.00 0.00 44.72 43.03 3i01 s GLY 475 CO 0.80 -1.30 1.58 -1.36 0.00 0.00 0.00 173.10 172.82 3i01 s PHE 476 N -1.87 2.84 0.05 1.90 0.40 -1.26 -4.71 117.98 115.33 3i01 s PHE 476 Ca 0.32 0.77 -0.36 0.00 -0.60 0.00 0.00 56.93 57.05 3i01 s PHE 476 Cb -0.09 -4.02 -0.16 0.00 0.51 0.00 0.00 43.02 39.26 3i01 s PHE 476 CO 0.24 -3.48 1.48 0.94 0.70 0.00 0.00 175.22 175.10 3i01 n GLN 477 N 2.53 1.47 -0.28 0.44 7.27 0.11 -1.62 117.38 127.30 3i01 n GLN 477 Ca 0.09 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.69 3i01 n GLN 477 Cb 0.38 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 30.80 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 3.32 0.00 -0.09 1.69 8.00 -1.26 -1.44 116.55 126.77 3i01 n ASP 478 Ca 0.19 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.59 3i01 n ASP 478 Cb 0.21 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 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 0.40 0.13 -2.24 -1.24 -1.69 -1.38 115.58 109.56 3i01 h ASN 479 Ca 0.00 -0.22 -0.22 0.00 0.71 0.00 0.00 56.30 56.57 3i01 h ASN 479 Cb 0.00 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 38.95 3i01 h ASN 479 CO 0.00 0.51 -0.86 0.28 -1.29 0.00 0.00 177.43 176.08 3i01 h SER 480 N 0.27 0.69 -0.00 1.15 0.02 -1.89 -0.84 113.55 112.95 3i01 h SER 480 Ca 0.09 -0.50 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3i01 h SER 480 Cb 0.26 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3i01 h SER 480 CO -0.00 1.28 -0.15 0.45 -1.14 0.00 0.00 176.83 177.27 3i01 h HIS 481 N 0.36 -0.38 0.07 3.45 3.86 -1.88 0.91 115.15 121.53 3i01 h HIS 481 Ca -0.07 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3i01 h HIS 481 Cb 1.47 0.17 0.00 0.00 1.06 0.00 0.00 27.41 30.12 3i01 h HIS 481 CO 0.07 -0.22 -0.03 -0.07 0.86 0.00 0.00 177.93 178.54 3i01 h LEU 482 N -0.25 -0.07 -0.66 2.43 -0.00 -1.20 -0.47 115.31 115.08 3i01 h LEU 482 Ca 0.05 -0.16 0.04 0.00 -0.00 0.00 0.00 57.88 57.81 3i01 h LEU 482 Cb 0.31 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 3i01 h LEU 482 CO -0.15 0.11 0.40 0.74 -0.00 0.00 0.00 178.44 179.54 3i01 h THR 483 N -0.26 1.04 -0.16 0.22 2.02 -1.09 0.40 112.91 115.08 3i01 h THR 483 Ca -0.01 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 3i01 h THR 483 Cb 0.23 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3i01 h THR 483 CO 0.01 0.14 0.03 0.58 0.37 0.00 0.00 175.52 176.65 3i01 h VAL 484 N 0.76 1.21 -0.13 3.16 2.07 -0.75 -2.86 116.25 119.71 3i01 h VAL 484 Ca 0.28 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3i01 h VAL 484 Cb 0.08 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3i01 h VAL 484 CO -0.13 0.21 0.07 0.24 0.02 0.00 0.00 177.57 177.97 3i01 h MET 485 N 0.05 0.18 -0.66 1.57 2.07 -0.54 -2.13 114.93 115.48 3i01 h MET 485 Ca 0.05 -0.02 0.11 0.00 -2.07 0.00 0.00 59.70 57.77 3i01 h MET 485 Cb 0.29 -0.04 -0.08 0.00 -1.87 0.00 0.00 31.60 29.91 3i01 h MET 485 CO 0.00 0.19 0.26 0.87 1.07 0.00 0.00 176.91 179.31 3i01 h LYS 486 N 0.12 0.43 -0.07 1.72 1.57 -0.99 -1.17 116.57 118.17 3i01 h LYS 486 Ca 0.05 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3i01 h LYS 486 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3i01 h LYS 486 CO -0.01 0.28 -0.61 1.49 -0.57 0.00 0.00 179.45 180.03 3i01 h GLU 487 N 0.44 0.24 -0.31 3.15 4.57 -1.32 -1.33 114.58 120.01 3i01 h GLU 487 Ca 0.34 -0.17 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 3i01 h GLU 487 Cb 0.45 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 3i01 h GLU 487 CO -0.33 0.78 -0.29 -0.07 -1.18 0.00 0.00 179.01 177.92 3i01 h LEU 488 N 0.17 0.79 -0.67 1.64 3.38 -1.10 -2.69 115.31 116.83 3i01 h LEU 488 Ca -0.01 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3i01 h LEU 488 Cb 1.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3i01 h LEU 488 CO 0.09 1.09 0.33 -0.07 0.09 0.00 0.00 178.44 179.97 3i01 h LEU 489 N 0.50 0.88 -0.74 1.67 3.38 -1.12 -0.80 115.31 119.08 3i01 h LEU 489 Ca 0.05 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3i01 h LEU 489 Cb 0.86 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 3i01 h LEU 489 CO 0.07 0.76 0.37 0.50 0.09 0.00 0.00 178.44 180.24 3i01 h LYS 490 N 0.93 0.60 -1.01 1.13 3.64 -1.08 -1.26 116.57 119.53 3i01 h LYS 490 Ca 0.23 -0.04 -0.50 0.00 -1.27 0.00 0.00 60.65 59.07 3i01 h LYS 490 Cb 0.11 -0.14 -0.29 0.00 -0.41 0.00 0.00 32.23 31.51 3i01 h LYS 490 CO -0.03 0.40 0.64 0.09 -2.27 0.00 0.00 179.45 178.28 3i01 n ASN 491 N -4.85 4.19 -2.67 4.20 3.02 -0.39 -3.43 115.26 115.32 3i01 n ASN 491 Ca 0.12 -3.52 -0.20 0.00 -0.03 0.00 0.00 54.58 50.94 3i01 n ASN 491 Cb 0.29 -0.84 0.02 0.00 -0.61 0.00 0.00 39.78 38.65 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 -1.00 -5.77 -4.68 6.41 3.02 -0.84 -4.38 115.26 108.02 3i01 n ASN 492 Ca 0.56 -0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.50 3i01 n ASN 492 Cb 1.48 -4.64 -0.05 0.00 -0.61 0.00 0.00 39.78 35.95 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 -3.10 5.03 -0.18 2.41 1.01 -0.69 -0.34 120.40 124.54 3i01 s VAL 493 Ca 0.22 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 3i01 s VAL 493 Cb -0.10 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3i01 s VAL 493 CO 0.27 0.16 1.62 0.12 0.00 0.00 0.00 175.10 177.27 3i01 s PHE 494 N 1.48 2.09 -0.15 5.22 5.36 -0.69 -4.43 117.98 126.86 3i01 s PHE 494 Ca 0.32 0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 56.75 3i01 s PHE 494 Cb -0.16 -3.94 -0.02 0.00 -0.34 0.00 0.00 43.02 38.55 3i01 s PHE 494 CO 0.13 -3.12 -0.06 0.08 -1.46 0.00 0.00 175.22 170.79 3i01 s VAL 495 N 4.91 3.69 0.17 3.12 1.01 -1.26 -1.78 120.40 130.27 3i01 s VAL 495 Ca 0.72 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 62.36 3i01 s VAL 495 Cb -0.27 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3i01 s VAL 495 CO 0.29 0.50 -0.14 0.68 0.00 0.00 0.00 175.10 176.43 3i01 s VAL 496 N 0.32 2.93 0.15 2.92 -7.23 0.05 -0.87 120.40 118.67 3i01 s VAL 496 Ca -0.05 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3i01 s VAL 496 Cb -0.14 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.37 3i01 s VAL 496 CO 0.04 -0.08 0.31 0.00 -0.31 0.00 0.00 175.10 175.05 3i01 s ALA 497 N -1.62 -0.27 0.29 1.32 0.00 0.97 -1.81 121.76 120.65 3i01 s ALA 497 Ca 0.23 -0.65 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 3i01 s ALA 497 Cb -0.09 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3i01 s ALA 497 CO 0.13 -0.64 0.51 0.95 0.00 0.00 0.00 175.76 176.71 3i01 s THR 498 N -3.91 0.00 0.00 0.00 -4.23 -0.90 -0.45 115.64 106.15 3i01 s THR 498 Ca 0.12 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3i01 s THR 498 Cb 0.03 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3i01 s THR 498 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3i01 n GLY 499 N -0.46 1.08 0.27 3.99 0.00 -0.41 -1.94 105.19 107.72 3i01 n GLY 499 Ca -0.01 -0.58 0.17 0.00 0.00 0.00 0.00 46.02 45.59 3i01 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 h SER 501 N 0.00 0.34 0.59 0.00 0.87 -1.10 -2.07 113.55 112.18 3i01 h SER 501 Ca -0.00 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 3i01 h SER 501 Cb 0.52 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3i01 h SER 501 CO 0.00 0.24 -0.58 0.00 -0.53 0.00 0.00 176.83 175.96 3i01 h ALA 502 N 1.13 1.03 -0.31 6.23 0.00 -0.91 -1.99 119.26 124.43 3i01 h ALA 502 Ca 0.12 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3i01 h ALA 502 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i01 h ALA 502 CO -0.04 0.73 -0.07 1.96 0.00 0.00 0.00 179.25 181.83 3i01 h GLN 503 N 0.00 0.51 -0.06 0.00 4.20 -1.19 -1.41 115.11 117.16 3i01 h GLN 503 Ca -0.01 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3i01 h GLN 503 Cb 1.04 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 3i01 h GLN 503 CO 0.08 0.59 0.02 0.00 -0.67 0.00 0.00 178.83 178.85 3i01 h ALA 504 N 1.45 0.08 -0.62 3.87 0.00 -0.94 -0.81 119.26 122.29 3i01 h ALA 504 Ca 0.10 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3i01 h ALA 504 Cb 0.42 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3i01 h ALA 504 CO 0.02 -0.33 0.25 0.00 0.00 0.00 0.00 179.25 179.19 3i01 h ALA 505 N 0.85 0.82 0.13 0.00 0.00 -1.02 -2.62 119.26 117.42 3i01 h ALA 505 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3i01 h ALA 505 Cb 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i01 h ALA 505 CO -0.00 -0.17 -0.06 0.78 0.00 0.00 0.00 179.25 179.79 3i01 h GLY 506 N 0.43 -0.18 1.78 0.00 0.00 -0.93 0.62 103.07 104.79 3i01 h GLY 506 Ca 0.31 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.74 3i01 h GLY 506 CO -0.30 -0.07 0.08 0.50 0.00 0.00 0.00 176.54 176.75 3i01 h LYS 507 N -0.32 0.00 -0.02 4.80 1.57 -1.02 -3.23 116.57 118.35 3i01 h LYS 507 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i01 h LYS 507 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3i01 h LYS 507 CO 0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 3i01 n LEU 508 N -4.26 1.71 0.00 2.94 4.77 -1.00 -4.35 117.00 116.80 3i01 n LEU 508 Ca -0.01 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 3i01 n LEU 508 Cb 0.19 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3i01 n LEU 508 CO 0.32 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3i01 n GLY 509 N -0.20 0.81 0.41 -0.72 0.00 -0.69 -4.96 105.19 99.84 3i01 n GLY 509 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 1.25 -1.07 0.99 4.32 0.12 -2.36 117.00 120.26 3i01 n LEU 510 Ca 0.00 -0.49 0.09 0.00 -0.02 0.00 0.00 56.01 55.59 3i01 n LEU 510 Cb 0.00 -0.06 0.26 0.00 -1.62 0.00 0.00 43.42 42.00 3i01 n LEU 510 CO 0.00 0.25 0.72 0.18 -1.22 0.00 0.00 177.39 177.31 3i01 n LEU 511 N 0.02 3.60 -4.59 2.23 4.77 -1.20 -2.77 117.00 119.06 3i01 n LEU 511 Ca 0.17 -2.06 -0.40 0.00 -0.03 0.00 0.00 56.01 53.70 3i01 n LEU 511 Cb 0.28 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 3i01 n LEU 511 CO 0.14 0.86 0.05 -0.62 -1.33 0.00 0.00 177.39 176.49 3i01 s ASP 512 N -1.02 6.22 0.62 -1.43 -1.08 -0.99 0.07 116.67 119.06 3i01 s ASP 512 Ca 0.39 0.12 0.31 0.00 -0.52 0.00 0.00 52.55 52.85 3i01 s ASP 512 Cb 0.21 -2.20 1.70 0.00 -1.46 0.00 0.00 42.92 41.17 3i01 s ASP 512 CO 0.25 -0.23 2.04 -0.65 0.52 0.00 0.00 175.17 177.10 3i01 h PRO 513 N 8.28 0.00 0.00 4.34 0.11 -1.87 -0.44 132.00 142.41 3i01 h PRO 513 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 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 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 3i01 n ALA 514 N -2.18 1.58 -0.07 -0.75 0.00 -1.26 -2.56 120.51 115.27 3i01 n ALA 514 Ca 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3i01 n ALA 514 Cb 0.38 -1.23 0.24 0.00 0.00 0.00 0.00 19.45 18.84 3i01 n ALA 514 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i01 n ASN 515 N -1.61 3.53 -0.14 0.00 5.03 -0.17 -4.03 115.26 117.86 3i01 n ASN 515 Ca 0.03 -1.97 -0.07 0.00 0.87 0.00 0.00 54.58 53.44 3i01 n ASN 515 Cb 0.16 -0.34 0.02 0.00 -1.02 0.00 0.00 39.78 38.59 3i01 n ASN 515 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3i01 h VAL 516 N 3.86 1.04 -0.90 2.41 2.07 -1.64 -2.37 116.25 120.73 3i01 h VAL 516 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3i01 h VAL 516 Cb 0.92 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3i01 h VAL 516 CO 0.00 0.09 0.50 -0.08 0.02 0.00 0.00 177.57 178.10 3i01 h GLU 517 N 0.51 1.24 -0.84 1.57 4.57 -1.81 -1.41 114.58 118.41 3i01 h GLU 517 Ca 0.17 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3i01 h GLU 517 Cb 0.01 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.32 3i01 h GLU 517 CO -0.08 0.90 0.51 1.15 -1.18 0.00 0.00 179.01 180.31 3i01 h THR 518 N 1.25 1.23 0.00 0.32 2.02 -1.69 -3.37 112.91 112.67 3i01 h THR 518 Ca 0.32 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3i01 h THR 518 Cb 0.01 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3i01 h THR 518 CO -0.05 0.24 -1.16 -1.22 0.37 0.00 0.00 175.52 173.70 3i01 n TYR 519 N -4.44 0.00 -3.58 3.16 0.53 -0.91 -5.06 117.16 106.85 3i01 n TYR 519 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.60 3i01 n TYR 519 Cb 0.05 -0.09 -0.07 0.00 -1.03 0.00 0.00 39.34 38.21 3i01 n TYR 519 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i01 s GLY 521 N -0.14 1.55 0.24 0.00 0.00 -0.54 -4.51 107.32 103.93 3i01 s GLY 521 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3i01 s GLY 521 CO 0.06 0.08 1.63 -0.55 0.00 0.00 0.00 173.10 174.32 3i01 h ASP 522 N -2.59 0.53 0.69 1.64 3.32 -1.91 -1.04 116.42 117.07 3i01 h ASP 522 Ca -0.48 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.31 3i01 h ASP 522 Cb 1.31 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.72 3i01 h ASP 522 CO 0.39 0.86 -0.33 1.23 -1.72 0.00 0.00 179.24 179.66 3i01 h GLY 523 N 1.08 -0.97 0.75 2.75 0.00 -1.92 -0.61 103.07 104.14 3i01 h GLY 523 Ca 0.04 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 3i01 h GLY 523 CO 0.07 -0.35 -0.33 -2.00 0.00 0.00 0.00 176.54 173.93 3i01 h LEU 524 N -1.02 -0.87 -0.75 3.11 5.85 -1.65 -1.43 115.31 118.55 3i01 h LEU 524 Ca -0.09 0.06 0.15 0.00 0.84 0.00 0.00 57.88 58.84 3i01 h LEU 524 Cb 0.74 0.28 -0.14 0.00 0.37 0.00 0.00 40.66 41.90 3i01 h LEU 524 CO 0.16 -0.49 -0.15 0.50 -0.34 0.00 0.00 178.44 178.11 3i01 h LYS 525 N -0.75 0.02 -0.65 1.25 3.64 -1.30 0.19 116.57 118.97 3i01 h LYS 525 Ca -0.04 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3i01 h LYS 525 Cb 0.65 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3i01 h LYS 525 CO -0.00 0.01 0.32 0.78 -2.27 0.00 0.00 179.45 178.29 3i01 h GLY 526 N 0.02 0.97 0.99 5.01 0.00 -0.86 0.51 103.07 109.71 3i01 h GLY 526 Ca 0.37 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 3i01 h GLY 526 CO -0.75 0.43 -0.38 -2.75 0.00 0.00 0.00 176.54 173.09 3i01 h PHE 527 N 0.91 0.86 0.00 5.60 3.57 -0.09 -2.53 116.94 125.26 3i01 h PHE 527 Ca 0.23 -0.29 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 3i01 h PHE 527 Cb 0.08 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3i01 h PHE 527 CO 0.01 1.06 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.65 3i01 h LEU 528 N 0.42 0.00 -0.02 0.59 3.38 -0.51 -0.62 115.31 118.56 3i01 h LEU 528 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i01 h LEU 528 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i01 h LEU 528 CO 0.09 0.42 -0.03 0.50 0.09 0.00 0.00 178.44 179.51 3i01 h LYS 529 N 0.00 0.06 -0.61 1.13 3.64 -0.84 -0.64 116.57 119.31 3i01 h LYS 529 Ca -0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 3i01 h LYS 529 Cb 0.76 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3i01 h LYS 529 CO 0.06 0.58 0.03 -0.09 -2.27 0.00 0.00 179.45 177.76 3i01 h ARG 530 N -0.46 1.05 -0.19 1.90 2.43 -1.36 -1.96 114.38 115.79 3i01 h ARG 530 Ca 0.00 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 58.90 3i01 h ARG 530 Cb 0.58 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 3i01 h ARG 530 CO 0.01 1.01 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.37 3i01 h LEU 531 N 0.97 -0.14 -2.56 3.80 3.38 -1.12 -2.77 115.31 116.87 3i01 h LEU 531 Ca 0.18 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i01 h LEU 531 Cb 0.51 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3i01 h LEU 531 CO 0.02 -0.05 -0.02 1.23 0.09 0.00 0.00 178.44 179.72 3i01 h GLY 532 N 0.02 0.00 -0.20 0.83 0.00 -0.84 -2.40 103.07 100.49 3i01 h GLY 532 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3i01 h GLY 532 CO -0.18 0.00 -0.02 1.18 0.00 0.00 0.00 176.54 177.52 3i01 n GLU 533 N -3.51 1.50 -1.68 4.80 1.02 -0.76 -4.70 120.64 117.31 3i01 n GLU 533 Ca -0.03 -0.79 -0.37 0.00 -0.02 0.00 0.00 57.16 55.95 3i01 n GLU 533 Cb 0.11 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.11 3i01 n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i01 n GLY 534 N 1.16 0.21 3.61 0.62 0.00 -0.90 -4.89 105.19 104.99 3i01 n GLY 534 Ca 0.19 -0.15 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 3i01 n GLY 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i01 n ALA 535 N -1.87 -0.56 -1.15 4.61 0.00 -1.26 -2.10 120.51 118.19 3i01 n ALA 535 Ca 0.15 0.50 -0.05 0.00 0.00 0.00 0.00 53.44 54.04 3i01 n ALA 535 Cb 0.48 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 3i01 n ALA 535 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i01 n ASN 536 N 2.75 -4.77 -4.52 0.00 5.03 -1.26 -4.92 115.26 107.58 3i01 n ASN 536 Ca 0.18 0.13 -0.43 0.00 0.87 0.00 0.00 54.58 55.33 3i01 n ASN 536 Cb 0.21 -2.72 -0.00 0.00 -1.02 0.00 0.00 39.78 36.25 3i01 n ASN 536 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i01 s ILE 537 N -1.81 4.57 0.07 2.41 -1.09 -0.89 -4.76 121.20 119.71 3i01 s ILE 537 Ca 0.00 -2.19 -0.02 0.00 -2.23 0.00 0.00 60.65 56.21 3i01 s ILE 537 Cb 0.00 -5.04 -0.27 0.00 -1.58 0.00 0.00 42.46 35.57 3i01 s ILE 537 CO 0.00 -1.81 1.13 -0.33 -1.23 0.00 0.00 174.94 172.70 3i01 h GLU 538 N 7.54 0.22 -0.00 2.79 4.39 -1.89 -3.35 114.58 124.29 3i01 h GLU 538 Ca 0.36 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3i01 h GLU 538 Cb 0.89 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 3i01 h GLU 538 CO 1.34 1.17 -0.36 0.97 -1.16 0.00 0.00 179.01 180.96 3i01 h ILE 539 N 0.06 1.26 -1.78 3.13 2.10 -1.96 -3.49 117.51 116.83 3i01 h ILE 539 Ca -0.13 -1.25 0.00 0.00 1.08 0.00 0.00 64.86 64.56 3i01 h ILE 539 Cb 1.94 1.67 0.00 0.00 -1.09 0.00 0.00 36.82 39.35 3i01 h ILE 539 CO 0.19 0.36 -0.44 0.61 -1.08 0.00 0.00 178.15 177.78 3i01 n GLY 540 N -0.48 -3.73 3.65 8.18 0.00 -1.26 -4.96 105.19 106.59 3i01 n GLY 540 Ca -0.02 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.88 3.77 0.61 0.99 1.43 -1.26 -4.83 118.68 116.52 3i01 s LEU 541 Ca 0.00 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 3i01 s LEU 541 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3i01 s LEU 541 CO 0.00 0.23 1.03 -2.16 0.23 0.00 0.00 176.35 175.67 3i01 s PRO 542 N 0.05 3.54 0.30 1.29 0.04 -1.26 -4.24 135.00 134.73 3i01 s PRO 542 Ca 0.05 0.84 0.06 0.00 0.04 0.00 0.00 61.00 61.99 3i01 s PRO 542 Cb -0.12 -2.07 0.49 0.00 0.04 0.00 0.00 34.50 32.83 3i01 s PRO 542 CO 0.01 -0.61 1.73 -1.00 0.04 0.00 0.00 177.00 177.17 3i01 h PRO 543 N -0.14 0.26 -5.95 0.56 0.14 -1.76 -3.44 132.00 121.67 3i01 h PRO 543 Ca -0.45 -0.11 -0.69 0.00 0.14 0.00 0.00 66.00 64.89 3i01 h PRO 543 Cb 1.19 -0.01 -0.32 0.00 0.14 0.00 0.00 31.00 32.01 3i01 h PRO 543 CO 0.61 0.59 -0.88 0.08 0.14 0.00 0.00 178.00 178.54 3i01 s VAL 544 N -4.25 2.04 -0.43 1.56 1.01 -1.12 -4.57 120.40 114.65 3i01 s VAL 544 Ca -0.05 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 3i01 s VAL 544 Cb 0.14 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.82 3i01 s VAL 544 CO 0.77 0.57 0.37 -0.36 0.00 0.00 0.00 175.10 176.45 3i01 s PHE 545 N -0.12 3.21 -0.39 5.22 0.40 -0.05 -4.71 117.98 121.54 3i01 s PHE 545 Ca -0.05 -0.61 -0.28 0.00 -0.60 0.00 0.00 56.93 55.39 3i01 s PHE 545 Cb -0.14 -2.85 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 3i01 s PHE 545 CO 0.04 -0.69 1.73 -1.58 0.70 0.00 0.00 175.22 175.42 3i01 s HIS 546 N 1.84 1.90 -2.37 0.36 2.46 -1.26 -0.02 115.29 118.20 3i01 s HIS 546 Ca 0.07 0.65 0.24 0.00 0.47 0.00 0.00 55.06 56.50 3i01 s HIS 546 Cb -0.20 -4.16 0.23 0.00 -0.13 0.00 0.00 32.58 28.32 3i01 s HIS 546 CO 0.10 -2.67 1.25 -1.33 -2.47 0.00 0.00 174.74 169.62 3i01 n MET 547 N 8.47 1.59 0.00 2.88 2.81 0.41 -1.56 117.12 131.72 3i01 n MET 547 Ca 0.21 -1.26 0.00 0.00 -1.81 0.00 0.00 57.70 54.84 3i01 n MET 547 Cb 0.48 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 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 1.37 0.41 3.81 3.03 0.00 -1.25 -4.75 105.19 107.81 3i01 n GLY 548 Ca 0.12 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 3i01 n GLY 548 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i01 s SER 549 N -4.00 2.73 0.39 1.61 1.04 -1.26 -1.29 113.70 112.92 3i01 s SER 549 Ca 0.00 0.56 0.06 0.00 0.48 0.00 0.00 55.95 57.05 3i01 s SER 549 Cb 0.00 -0.82 0.80 0.00 0.10 0.00 0.00 66.02 66.11 3i01 s SER 549 CO 0.00 -3.00 2.04 0.00 0.98 0.00 0.00 173.24 173.26 3i01 h VAL 551 N 0.60 1.01 0.00 0.00 -1.51 -1.93 -2.33 116.25 112.08 3i01 h VAL 551 Ca 0.16 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3i01 h VAL 551 Cb -0.03 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3i01 h VAL 551 CO -0.03 0.19 0.00 0.47 -1.23 0.00 0.00 177.57 176.97 3i01 n ASP 552 N -4.12 0.00 0.01 4.19 9.92 -0.09 -1.87 116.55 124.58 3i01 n ASP 552 Ca -0.02 -0.73 0.23 0.00 -0.53 0.00 0.00 54.79 53.73 3i01 n ASP 552 Cb 0.26 -0.01 0.67 0.00 -0.64 0.00 0.00 41.12 41.41 3i01 n ASP 552 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3i01 h ASN 553 N 0.00 0.00 -0.13 -2.24 2.35 -1.30 -0.78 115.58 113.48 3i01 h ASN 553 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 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 0.07 0.77 -1.65 0.00 0.00 177.43 176.62 3i01 h SER 554 N 0.00 0.18 -0.15 5.81 4.64 -1.63 -1.70 113.55 120.71 3i01 h SER 554 Ca 0.27 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 3i01 h SER 554 Cb 1.57 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.59 3i01 h SER 554 CO -0.00 0.16 -0.03 0.03 -0.87 0.00 0.00 176.83 176.12 3i01 h ARG 555 N 0.21 0.42 -0.08 4.77 3.08 -1.38 -1.25 114.38 120.15 3i01 h ARG 555 Ca 0.06 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 3i01 h ARG 555 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3i01 h ARG 555 CO -0.01 0.47 -0.58 0.00 -1.07 0.00 0.00 179.97 178.78 3i01 h ALA 556 N 1.58 0.87 -0.12 0.04 0.00 -1.36 -1.65 119.26 118.61 3i01 h ALA 556 Ca 0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3i01 h ALA 556 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i01 h ALA 556 CO 0.01 0.71 -0.03 0.28 0.00 0.00 0.00 179.25 180.22 3i01 h VAL 557 N 0.19 1.29 -0.94 0.00 2.07 -1.27 -1.43 116.25 116.17 3i01 h VAL 557 Ca -0.00 -0.99 0.15 0.00 0.82 0.00 0.00 66.70 66.68 3i01 h VAL 557 Cb 1.07 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 32.45 3i01 h VAL 557 CO 0.09 0.28 0.55 0.44 0.02 0.00 0.00 177.57 178.96 3i01 h ASP 558 N -0.08 0.74 -0.10 0.57 3.32 -1.01 0.30 116.42 120.16 3i01 h ASP 558 Ca 0.03 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3i01 h ASP 558 Cb 0.46 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3i01 h ASP 558 CO 0.01 0.32 -0.01 0.25 -1.72 0.00 0.00 179.24 178.10 3i01 h LEU 559 N 0.78 0.17 -0.46 1.55 5.85 -1.16 -1.40 115.31 120.64 3i01 h LEU 559 Ca 0.51 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 59.00 3i01 h LEU 559 Cb 0.68 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 3i01 h LEU 559 CO -0.34 0.46 -0.18 0.25 -0.34 0.00 0.00 178.44 178.29 3i01 h LEU 560 N -0.12 -0.62 -1.01 2.25 5.85 -0.74 -0.12 115.31 120.81 3i01 h LEU 560 Ca 0.03 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3i01 h LEU 560 Cb 0.37 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3i01 h LEU 560 CO 0.01 -0.21 0.40 0.24 -0.34 0.00 0.00 178.44 178.53 3i01 h MET 561 N -0.08 1.10 -0.63 1.25 2.86 -0.92 0.42 114.93 118.95 3i01 h MET 561 Ca 0.22 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3i01 h MET 561 Cb 0.42 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3i01 h MET 561 CO -0.52 0.83 0.24 0.00 1.06 0.00 0.00 176.91 178.53 3i01 h ALA 562 N 1.34 0.81 0.66 6.32 0.00 -0.77 -1.89 119.26 125.73 3i01 h ALA 562 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i01 h ALA 562 Cb 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i01 h ALA 562 CO -0.04 0.44 -0.32 0.52 0.00 0.00 0.00 179.25 179.85 3i01 h MET 563 N 0.88 -0.85 -0.78 0.00 2.07 -0.64 -2.55 114.93 113.06 3i01 h MET 563 Ca 0.21 0.06 0.18 0.00 -2.07 0.00 0.00 59.70 58.08 3i01 h MET 563 Cb 0.22 0.19 -0.13 0.00 -1.87 0.00 0.00 31.60 30.01 3i01 h MET 563 CO -0.02 -0.55 0.14 0.00 1.07 0.00 0.00 176.91 177.56 3i01 h ALA 564 N -0.65 0.99 -0.56 6.32 0.00 -0.90 -2.38 119.26 122.08 3i01 h ALA 564 Ca -0.09 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3i01 h ALA 564 Cb 0.70 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3i01 h ALA 564 CO 0.15 -0.40 -0.04 -0.91 0.00 0.00 0.00 179.25 178.05 3i01 h ASN 565 N 0.20 1.00 0.40 0.00 2.35 -1.31 0.42 115.58 118.64 3i01 h ASN 565 Ca 0.45 -0.30 -0.20 0.00 -0.55 0.00 0.00 56.30 55.71 3i01 h ASN 565 Cb 0.83 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 3i01 h ASN 565 CO -0.60 1.07 -0.84 -0.78 -1.65 0.00 0.00 177.43 174.64 3i01 h ASP 566 N 0.92 0.41 1.48 5.81 1.82 -1.16 -2.91 116.42 122.78 3i01 h ASP 566 Ca 0.16 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 3i01 h ASP 566 Cb 0.59 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.48 3i01 h ASP 566 CO 0.04 1.08 0.00 -0.07 -1.61 0.00 0.00 179.24 178.68 3i01 h LEU 567 N 0.20 0.00 -0.25 2.28 3.38 -1.32 -3.48 115.31 116.13 3i01 h LEU 567 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i01 h LEU 567 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3i01 h LEU 567 CO 0.14 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.28 3i01 n GLY 568 N 0.54 0.52 3.27 0.83 0.00 0.02 -5.06 105.19 105.31 3i01 n GLY 568 Ca 0.02 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3i01 n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i01 s VAL 569 N -2.25 1.12 0.67 1.61 -7.23 -0.49 -5.03 120.40 108.81 3i01 s VAL 569 Ca 0.00 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.00 3i01 s VAL 569 Cb 0.00 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.94 3i01 s VAL 569 CO 0.00 -0.62 1.05 -0.62 -0.31 0.00 0.00 175.10 174.60 3i01 s ASP 570 N -3.21 5.53 0.55 4.85 3.68 -1.26 -4.42 116.67 122.40 3i01 s ASP 570 Ca 0.20 1.62 0.23 0.00 2.13 0.00 0.00 52.55 56.74 3i01 s ASP 570 Cb 0.03 -2.50 1.48 0.00 -1.45 0.00 0.00 42.92 40.49 3i01 s ASP 570 CO 0.03 -1.34 2.12 0.71 0.13 0.00 0.00 175.17 176.82 3i01 h THR 571 N -0.51 0.73 0.00 1.71 1.35 -1.90 -1.97 112.91 112.32 3i01 h THR 571 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3i01 h THR 571 Cb 1.21 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3i01 h THR 571 CO 0.57 0.00 0.26 -0.65 -0.25 0.00 0.00 175.52 175.45 3i01 h PRO 572 N 0.00 0.00 -0.01 4.72 0.11 -1.84 -1.43 132.00 133.55 3i01 h PRO 572 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3i01 h PRO 572 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3i01 h PRO 572 CO -0.00 0.00 -0.61 1.63 -0.21 0.00 0.00 178.00 178.81 3i01 n LYS 573 N -2.78 0.87 -2.87 1.05 5.02 -0.74 -4.92 118.16 113.80 3i01 n LYS 573 Ca -0.02 -0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 55.14 3i01 n LYS 573 Cb 0.30 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 3i01 n LYS 573 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i01 s VAL 574 N -2.62 4.91 -1.11 -0.18 1.01 -0.54 -4.87 120.40 117.00 3i01 s VAL 574 Ca 0.16 1.73 -0.23 0.00 0.00 0.00 0.00 61.98 63.63 3i01 s VAL 574 Cb 0.18 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.26 3i01 s VAL 574 CO 0.65 0.11 1.95 -2.65 0.00 0.00 0.00 175.10 175.16 3i01 n PRO 575 N 4.53 1.39 -3.73 2.72 -0.02 -1.26 -4.82 135.00 133.81 3i01 n PRO 575 Ca 0.04 -2.29 -0.12 0.00 -2.02 0.00 0.00 63.50 59.11 3i01 n PRO 575 Cb 0.50 -3.64 -0.13 0.00 -0.02 0.00 0.00 33.50 30.21 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 11.04 -0.33 0.06 6.00 5.36 -1.26 -1.92 117.98 136.94 3i01 s PHE 576 Ca 0.69 0.79 0.05 0.00 -0.96 0.00 0.00 56.93 57.50 3i01 s PHE 576 Cb 0.01 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.71 3i01 s PHE 576 CO 0.15 -0.24 -0.14 0.08 -1.46 0.00 0.00 175.22 173.61 3i01 s VAL 577 N 1.27 1.14 0.11 3.12 1.01 -0.30 -4.21 120.40 122.53 3i01 s VAL 577 Ca -0.09 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 60.74 3i01 s VAL 577 Cb -0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3i01 s VAL 577 CO -0.09 -0.16 -0.20 0.00 0.00 0.00 0.00 175.10 174.66 3i01 s ALA 578 N -1.16 2.62 -0.08 5.51 0.00 -0.43 -1.21 121.76 127.01 3i01 s ALA 578 Ca -0.01 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 3i01 s ALA 578 Cb -0.09 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.44 3i01 s ALA 578 CO 0.02 0.58 0.19 0.45 0.00 0.00 0.00 175.76 177.01 3i01 s SER 579 N -2.00 -0.19 -0.51 0.00 0.15 0.45 -0.01 113.70 111.58 3i01 s SER 579 Ca 0.17 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.25 3i01 s SER 579 Cb -0.10 0.34 0.13 0.00 -1.71 0.00 0.00 66.02 64.68 3i01 s SER 579 CO 0.09 -0.12 0.27 0.00 1.20 0.00 0.00 173.24 174.68 3i01 s ALA 580 N 0.72 3.05 0.47 5.45 0.00 0.24 -0.89 121.76 130.81 3i01 s ALA 580 Ca -0.05 -3.15 0.28 0.00 0.00 0.00 0.00 51.96 49.04 3i01 s ALA 580 Cb -0.07 -2.09 1.56 0.00 0.00 0.00 0.00 23.12 22.52 3i01 s ALA 580 CO -0.04 -2.03 2.13 -1.35 0.00 0.00 0.00 175.76 174.47 3i01 h PRO 581 N 6.47 0.00 -0.25 0.00 0.11 -1.81 -1.52 132.00 135.00 3i01 h PRO 581 Ca -0.05 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.84 3i01 h PRO 581 Cb 0.89 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.69 3i01 h PRO 581 CO 0.64 0.08 -0.90 0.39 -0.21 0.00 0.00 178.00 178.00 3i01 n GLU 582 N -3.73 1.46 -1.62 1.05 1.02 -1.26 -3.78 120.64 113.78 3i01 n GLU 582 Ca -0.02 -3.08 -0.44 0.00 -0.02 0.00 0.00 57.16 53.59 3i01 n GLU 582 Cb 0.19 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 3i01 n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i01 n ALA 583 N -0.37 0.24 0.06 0.62 0.00 -1.19 -2.01 120.51 117.85 3i01 n ALA 583 Ca 0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3i01 n ALA 583 Cb 0.92 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3i01 n ALA 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i01 n MET 584 N 0.94 0.00 -1.72 0.00 0.00 -1.26 -4.62 117.12 110.45 3i01 n MET 584 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.48 3i01 n MET 584 Cb 0.32 -0.13 0.04 0.00 0.00 0.00 0.00 33.22 33.44 3i01 n MET 584 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3i01 s SER 585 N -5.12 5.66 0.45 6.12 1.04 -1.26 -4.87 113.70 115.72 3i01 s SER 585 Ca 0.00 1.46 0.17 0.00 0.48 0.00 0.00 55.95 58.06 3i01 s SER 585 Cb 0.00 -2.39 1.12 0.00 0.10 0.00 0.00 66.02 64.84 3i01 s SER 585 CO 0.00 -1.24 1.97 1.23 0.98 0.00 0.00 173.24 176.18 3i01 h GLY 586 N -0.58 0.48 0.66 7.32 0.00 -1.93 -1.73 103.07 107.29 3i01 h GLY 586 Ca -0.44 -0.13 0.12 0.00 0.00 0.00 0.00 47.33 46.87 3i01 h GLY 586 CO 0.60 0.07 0.56 0.50 0.00 0.00 0.00 176.54 178.27 3i01 h LYS 587 N 0.32 0.75 -0.10 4.80 1.57 -1.83 -0.25 116.57 121.83 3i01 h LYS 587 Ca 0.29 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.79 3i01 h LYS 587 Cb 0.70 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.85 3i01 h LYS 587 CO -0.07 0.50 -0.84 0.00 -0.57 0.00 0.00 179.45 178.46 3i01 h ALA 588 N 1.58 0.32 -0.36 3.86 0.00 -1.66 -1.14 119.26 121.85 3i01 h ALA 588 Ca 0.42 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3i01 h ALA 588 Cb 0.54 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3i01 h ALA 588 CO -0.18 0.71 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 3i01 h ALA 589 N 0.59 0.30 -0.59 0.00 0.00 -1.21 -0.03 119.26 118.32 3i01 h ALA 589 Ca -0.07 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3i01 h ALA 589 Cb 1.47 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3i01 h ALA 589 CO 0.17 -0.42 0.14 0.00 0.00 0.00 0.00 179.25 179.14 3i01 h ALA 590 N 1.33 0.78 -0.54 0.00 0.00 -0.99 -1.53 119.26 118.30 3i01 h ALA 590 Ca 0.18 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i01 h ALA 590 Cb 0.26 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3i01 h ALA 590 CO -0.32 0.48 0.32 0.82 0.00 0.00 0.00 179.25 180.55 3i01 h ILE 591 N 0.85 1.04 -0.46 0.00 2.04 -1.04 -1.67 117.51 118.27 3i01 h ILE 591 Ca 0.18 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3i01 h ILE 591 Cb 0.35 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3i01 h ILE 591 CO 0.00 0.11 0.30 1.23 0.00 0.00 0.00 178.15 179.80 3i01 h GLY 592 N 0.63 0.64 1.34 5.37 0.00 -0.62 -1.99 103.07 108.44 3i01 h GLY 592 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3i01 h GLY 592 CO -0.11 0.24 0.36 -0.84 0.00 0.00 0.00 176.54 176.18 3i01 h THR 593 N 0.62 1.19 0.00 4.70 2.02 -0.99 -2.54 112.91 117.91 3i01 h THR 593 Ca 0.17 -0.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 3i01 h THR 593 Cb -0.07 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 3i01 h THR 593 CO -0.04 0.21 -0.69 4.11 0.37 0.00 0.00 175.52 179.48 3i01 h TRP 594 N 0.88 0.00 -0.25 3.16 5.08 -1.12 -2.65 115.95 121.05 3i01 h TRP 594 Ca 0.23 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.24 3i01 h TRP 594 Cb 0.01 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 3i01 h TRP 594 CO 0.00 0.69 -0.04 -1.49 -1.28 0.00 0.00 178.44 176.33 3i01 h TRP 595 N 0.00 -0.09 -0.12 0.12 -0.00 -1.05 0.72 115.95 115.53 3i01 h TRP 595 Ca -0.01 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 58.95 3i01 h TRP 595 Cb 1.49 0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 30.67 3i01 h TRP 595 CO 0.00 -0.08 -0.22 0.28 -0.00 0.00 0.00 178.44 178.42 3i01 h VAL 596 N 0.03 0.45 -0.92 1.49 2.07 -1.46 -1.93 116.25 115.98 3i01 h VAL 596 Ca 0.12 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.80 3i01 h VAL 596 Cb 0.17 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 3i01 h VAL 596 CO -0.23 0.00 0.59 0.28 0.02 0.00 0.00 177.57 178.23 3i01 h SER 597 N -0.29 0.64 -0.22 0.57 0.02 -1.28 0.52 113.55 113.51 3i01 h SER 597 Ca 0.10 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3i01 h SER 597 Cb 0.43 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3i01 h SER 597 CO -0.29 0.29 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3i01 n LEU 598 N -4.59 1.43 0.00 5.07 4.77 0.23 -4.89 117.00 119.02 3i01 n LEU 598 Ca 0.19 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3i01 n LEU 598 Cb 0.54 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i01 n LEU 598 CO 0.28 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3i01 n GLY 599 N 0.99 1.26 3.31 -0.72 0.00 0.18 -4.69 105.19 105.52 3i01 n GLY 599 Ca 0.12 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 3i01 n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i01 s VAL 600 N -2.00 2.12 0.18 1.61 1.01 -0.79 -3.62 120.40 118.91 3i01 s VAL 600 Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 3i01 s VAL 600 Cb 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 3i01 s VAL 600 CO 0.00 0.58 1.51 -2.84 0.00 0.00 0.00 175.10 174.35 3i01 s PRO 601 N -0.51 4.24 -0.25 2.72 0.02 -1.26 -3.13 135.00 136.84 3i01 s PRO 601 Ca 0.07 2.31 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 3i01 s PRO 601 Cb -0.11 -3.15 0.07 0.00 0.02 0.00 0.00 34.50 31.33 3i01 s PRO 601 CO 0.00 -0.53 0.01 0.99 -0.33 0.00 0.00 177.00 177.14 3i01 s THR 602 N 0.82 1.14 0.01 0.99 2.01 -0.38 -1.31 115.64 118.92 3i01 s THR 602 Ca 0.66 -1.15 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 3i01 s THR 602 Cb -0.42 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3i01 s THR 602 CO 0.34 -0.30 0.82 -2.28 -0.69 0.00 0.00 174.62 172.51 3i01 s HIS 603 N 1.55 3.68 -0.08 4.92 5.04 0.99 -0.64 115.29 130.75 3i01 s HIS 603 Ca 0.00 1.50 0.04 0.00 -1.54 0.00 0.00 55.06 55.06 3i01 s HIS 603 Cb -0.18 -2.91 0.00 0.00 0.04 0.00 0.00 32.58 29.53 3i01 s HIS 603 CO -0.11 0.15 -0.19 0.08 -2.34 0.00 0.00 174.74 172.32 3i01 s VAL 604 N 0.44 1.67 -1.61 0.89 1.01 -0.71 0.81 120.40 122.90 3i01 s VAL 604 Ca 0.42 -0.81 0.19 0.00 0.00 0.00 0.00 61.98 61.78 3i01 s VAL 604 Cb -0.20 -1.46 0.55 0.00 0.00 0.00 0.00 36.38 35.27 3i01 s VAL 604 CO 0.23 0.47 1.46 0.61 0.00 0.00 0.00 175.10 177.88 3i01 n GLY 605 N 3.50 2.61 3.14 4.51 0.00 -0.58 -2.56 105.19 115.80 3i01 n GLY 605 Ca -0.20 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.05 0.74 -0.27 2.61 -4.23 -1.26 -4.29 115.64 107.88 3i01 s THR 606 Ca 0.41 -1.55 -0.17 0.00 -1.18 0.00 0.00 61.69 59.21 3i01 s THR 606 Cb 0.22 -1.22 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 3i01 s THR 606 CO 0.28 -0.60 0.46 -0.32 -0.54 0.00 0.00 174.62 173.90 3i01 s MET 607 N -2.72 4.00 0.97 3.99 1.75 -1.26 -4.88 119.30 121.14 3i01 s MET 607 Ca 0.02 0.16 -0.12 0.00 -1.25 0.00 0.00 55.69 54.50 3i01 s MET 607 Cb -0.03 -3.67 0.17 0.00 2.84 0.00 0.00 34.83 34.14 3i01 s MET 607 CO -0.01 -0.36 1.10 -2.14 -0.65 0.00 0.00 175.02 172.96 3i01 s PRO 608 N 2.23 0.67 -1.25 4.11 0.02 -1.26 -4.86 135.00 134.65 3i01 s PRO 608 Ca 0.18 0.55 -0.16 0.00 0.02 0.00 0.00 61.00 61.59 3i01 s PRO 608 Cb -0.16 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.57 3i01 s PRO 608 CO 0.10 -2.58 2.18 -0.35 -0.33 0.00 0.00 177.00 176.02 3i01 n PRO 609 N -4.07 2.48 0.00 5.54 -0.04 -1.26 -4.42 135.00 133.22 3i01 n PRO 609 Ca 0.06 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 3i01 n PRO 609 Cb 0.57 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 5.24 0.00 0.15 0.52 0.24 -1.22 -3.96 118.33 119.29 3i01 n VAL 610 Ca 0.53 -0.43 0.03 0.00 -2.04 0.00 0.00 64.34 62.43 3i01 n VAL 610 Cb 0.38 1.05 0.08 0.00 -1.47 0.00 0.00 33.84 33.88 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 -2.96 114.58 122.32 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 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3i01 h GLU 611 CO 0.00 0.48 0.01 0.41 -1.00 0.00 0.00 179.01 178.91 3i01 n GLY 612 N 1.05 -0.22 2.84 -3.84 0.00 0.01 -4.43 105.19 100.60 3i01 n GLY 612 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.43 0.96 0.41 1.61 0.15 -1.12 -4.90 113.70 108.38 3i01 s SER 613 Ca 0.00 0.10 0.19 0.00 0.70 0.00 0.00 55.95 56.94 3i01 s SER 613 Cb 0.00 0.49 0.86 0.00 -1.71 0.00 0.00 66.02 65.66 3i01 s SER 613 CO 0.00 -0.29 1.84 0.44 1.20 0.00 0.00 173.24 176.43 3i01 h ASP 614 N 8.31 0.00 -0.02 5.45 3.32 -1.84 0.40 116.42 132.05 3i01 h ASP 614 Ca -0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3i01 h ASP 614 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3i01 h ASP 614 CO 0.22 0.32 -0.11 0.25 -1.72 0.00 0.00 179.24 178.20 3i01 h LEU 615 N 0.00 0.12 -0.82 1.55 6.46 -1.95 -0.61 115.31 120.06 3i01 h LEU 615 Ca -0.00 -0.69 -0.02 0.00 -0.12 0.00 0.00 57.88 57.05 3i01 h LEU 615 Cb 0.70 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 3i01 h LEU 615 CO 0.04 0.80 0.45 0.40 -0.62 0.00 0.00 178.44 179.51 3i01 h ILE 616 N -0.55 1.24 -0.78 4.05 1.08 -1.84 -1.86 117.51 118.85 3i01 h ILE 616 Ca -0.01 -0.60 -0.04 0.00 -0.39 0.00 0.00 64.86 63.83 3i01 h ILE 616 Cb 0.80 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 3i01 h ILE 616 CO 0.02 0.27 0.34 0.22 -0.69 0.00 0.00 178.15 178.31 3i01 h TYR 617 N 1.14 1.15 -0.00 1.37 5.03 -0.83 0.17 116.97 125.00 3i01 h TYR 617 Ca 0.29 -0.07 -0.18 0.00 2.58 0.00 0.00 58.73 61.35 3i01 h TYR 617 Cb 0.03 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 37.94 3i01 h TYR 617 CO 0.00 0.85 -0.81 1.03 -1.32 0.00 0.00 178.16 177.92 3i01 h SER 618 N 1.13 0.13 -0.20 -2.11 0.87 -1.00 0.80 113.55 113.16 3i01 h SER 618 Ca 0.27 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3i01 h SER 618 Cb 0.16 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3i01 h SER 618 CO -0.03 0.88 -0.03 0.40 -0.53 0.00 0.00 176.83 177.53 3i01 h ILE 619 N 0.06 1.27 -0.27 2.23 2.04 -0.59 0.78 117.51 123.03 3i01 h ILE 619 Ca -0.02 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3i01 h ILE 619 Cb 1.42 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 3i01 h ILE 619 CO 0.11 0.29 0.16 -0.07 0.00 0.00 0.00 178.15 178.65 3i01 h LEU 620 N 0.10 0.33 0.00 1.44 3.38 -0.48 0.12 115.31 120.21 3i01 h LEU 620 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i01 h LEU 620 Cb 0.45 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3i01 h LEU 620 CO 0.02 0.30 -1.40 0.35 0.09 0.00 0.00 178.44 177.79 3i01 n THR 621 N -4.85 0.34 0.05 0.22 -2.24 0.25 -1.84 114.28 106.22 3i01 n THR 621 Ca -0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3i01 n THR 621 Cb 0.06 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.46 0.00 0.21 -0.78 6.02 0.18 -4.56 117.38 115.99 3i01 n GLN 622 Ca -0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.04 3i01 n GLN 622 Cb 0.55 -0.43 0.46 0.00 1.02 0.00 0.00 30.24 31.84 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 0.97 -0.28 5.09 1.08 0.31 -2.25 117.51 122.43 3i01 h ILE 623 Ca 0.00 -1.09 -0.04 0.00 -0.39 0.00 0.00 64.86 63.34 3i01 h ILE 623 Cb 0.15 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 3i01 h ILE 623 CO 0.00 0.29 0.01 0.00 -0.69 0.00 0.00 178.15 177.76 3i01 h ALA 624 N 1.71 1.50 0.00 1.87 0.00 -1.17 0.23 119.26 123.39 3i01 h ALA 624 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3i01 h ALA 624 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i01 h ALA 624 CO 0.04 0.37 -0.19 0.66 0.00 0.00 0.00 179.25 180.13 3i01 h SER 625 N 0.41 0.00 0.61 0.00 4.64 -0.67 0.21 113.55 118.75 3i01 h SER 625 Ca 0.09 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.14 3i01 h SER 625 Cb 0.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3i01 h SER 625 CO 0.01 0.19 -1.24 0.44 -0.87 0.00 0.00 176.83 175.35 3i01 h ASP 626 N 0.00 0.45 0.00 4.97 3.32 -0.64 -3.18 116.42 121.35 3i01 h ASP 626 Ca -0.00 -0.48 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 3i01 h ASP 626 Cb 0.37 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3i01 h ASP 626 CO 0.02 1.37 -0.73 0.58 -1.72 0.00 0.00 179.24 178.76 3i01 h VAL 627 N 0.08 0.76 0.01 -1.35 2.07 -0.60 -3.42 116.25 113.81 3i01 h VAL 627 Ca -0.14 -1.81 -0.36 0.00 0.82 0.00 0.00 66.70 65.21 3i01 h VAL 627 Cb 1.97 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 33.36 3i01 h VAL 627 CO 0.21 0.26 -2.28 -1.22 0.02 0.00 0.00 177.57 174.56 3i01 n TYR 628 N -4.54 0.27 0.00 1.57 4.02 0.67 -5.00 117.16 114.15 3i01 n TYR 628 Ca -0.19 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3i01 n TYR 628 Cb 0.48 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 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 1.90 2.58 3.89 2.72 0.00 -0.83 -4.48 105.19 110.97 3i01 n GLY 629 Ca -0.34 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.36 1.97 -0.12 -0.02 0.00 -1.23 -4.54 107.32 101.02 3i01 s GLY 630 Ca 0.00 -1.76 -0.31 0.00 0.00 0.00 0.00 44.72 42.65 3i01 s GLY 630 CO 0.00 -1.62 1.01 -2.52 0.00 0.00 0.00 173.10 169.98 3i01 s TYR 631 N -2.39 -0.30 0.26 1.90 -0.85 -1.18 -1.60 117.35 113.19 3i01 s TYR 631 Ca 0.46 0.35 -0.21 0.00 -0.52 0.00 0.00 57.07 57.15 3i01 s TYR 631 Cb -0.05 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.70 3i01 s TYR 631 CO 0.28 -0.37 0.79 -0.06 -1.52 0.00 0.00 175.55 174.67 3i01 s PHE 632 N -2.07 3.64 -0.37 -3.49 0.40 -0.77 -1.25 117.98 114.07 3i01 s PHE 632 Ca 0.03 1.50 -0.00 0.00 -0.60 0.00 0.00 56.93 57.86 3i01 s PHE 632 Cb -0.01 -2.71 0.10 0.00 0.51 0.00 0.00 43.02 40.92 3i01 s PHE 632 CO -0.04 0.28 0.12 0.42 0.70 0.00 0.00 175.22 176.70 3i01 s ILE 633 N -1.59 2.86 -0.36 0.64 1.01 0.18 -4.51 121.20 119.44 3i01 s ILE 633 Ca 0.46 -2.09 -0.20 0.00 0.00 0.00 0.00 60.65 58.82 3i01 s ILE 633 Cb -0.17 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3i01 s ILE 633 CO 0.21 -0.58 0.62 -0.36 0.00 0.00 0.00 174.94 174.83 3i01 s PHE 634 N 1.06 3.15 -0.22 3.97 2.99 -1.26 -1.74 117.98 125.93 3i01 s PHE 634 Ca 0.07 0.31 -0.04 0.00 0.00 0.00 0.00 56.93 57.28 3i01 s PHE 634 Cb -0.21 -3.11 0.12 0.00 0.00 0.00 0.00 43.02 39.82 3i01 s PHE 634 CO -0.05 -0.62 0.37 -2.00 -0.00 0.00 0.00 175.22 172.92 3i01 s GLU 635 N 2.66 0.32 0.21 0.44 2.56 -1.06 -3.60 118.70 120.23 3i01 s GLU 635 Ca 0.23 0.63 0.24 0.00 0.00 0.00 0.00 54.97 56.08 3i01 s GLU 635 Cb -0.15 -0.33 0.47 0.00 2.00 0.00 0.00 34.13 36.12 3i01 s GLU 635 CO 0.15 -0.54 1.50 0.52 -0.56 0.00 0.00 175.26 176.32 3i01 h MET 636 N 8.20 0.00 -6.48 4.30 2.86 -1.84 -3.38 114.93 118.59 3i01 h MET 636 Ca -0.18 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.88 3i01 h MET 636 Cb 1.14 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.72 3i01 h MET 636 CO 0.23 0.00 0.79 0.34 1.06 0.00 0.00 176.91 179.33 3i01 s ASP 637 N -4.79 6.59 0.49 1.22 2.15 -1.26 -4.92 116.67 116.15 3i01 s ASP 637 Ca 0.07 0.35 0.33 0.00 0.43 0.00 0.00 52.55 53.74 3i01 s ASP 637 Cb 0.11 -2.51 1.63 0.00 -0.30 0.00 0.00 42.92 41.85 3i01 s ASP 637 CO 0.68 -1.16 2.00 1.55 -0.17 0.00 0.00 175.17 178.07 3i01 h PRO 638 N 9.12 0.00 0.04 4.34 0.13 -1.92 -0.25 132.00 143.45 3i01 h PRO 638 Ca -0.23 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 3i01 h PRO 638 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 3i01 h PRO 638 CO 1.08 0.00 -0.50 0.37 -0.23 0.00 0.00 178.00 178.72 3i01 h GLN 639 N 0.00 0.27 -0.55 0.86 -0.00 -1.91 -2.81 115.11 110.97 3i01 h GLN 639 Ca 0.00 -0.34 -0.07 0.00 -0.00 0.00 0.00 58.65 58.24 3i01 h GLN 639 Cb 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.77 3i01 h GLN 639 CO 0.00 1.08 0.07 0.28 0.00 0.00 0.00 178.83 180.26 3i01 h VAL 640 N -0.37 1.26 -0.45 2.39 2.07 -1.79 -2.67 116.25 116.68 3i01 h VAL 640 Ca -0.07 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.54 3i01 h VAL 640 Cb 1.28 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.78 3i01 h VAL 640 CO 0.10 0.36 -0.35 0.00 0.02 0.00 0.00 177.57 177.69 3i01 h ALA 641 N 0.99 -0.20 -0.48 1.67 0.00 -1.14 1.29 119.26 121.39 3i01 h ALA 641 Ca 0.17 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3i01 h ALA 641 Cb 0.43 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3i01 h ALA 641 CO 0.01 -0.74 0.27 0.00 0.00 0.00 0.00 179.25 178.79 3i01 h ALA 642 N 0.75 0.61 -0.69 0.00 0.00 -1.44 0.60 119.26 119.09 3i01 h ALA 642 Ca 0.18 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3i01 h ALA 642 Cb 0.55 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3i01 h ALA 642 CO -0.58 -0.05 0.41 -0.09 0.00 0.00 0.00 179.25 178.94 3i01 h ARG 643 N 0.54 0.77 -0.54 0.00 2.43 -0.84 0.10 114.38 116.85 3i01 h ARG 643 Ca 0.20 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3i01 h ARG 643 Cb 0.05 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3i01 h ARG 643 CO -0.11 0.51 0.22 0.87 -1.51 0.00 0.00 179.97 179.95 3i01 h LYS 644 N 0.79 0.77 -0.05 0.20 1.57 0.35 -0.66 116.57 119.55 3i01 h LYS 644 Ca 0.29 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 3i01 h LYS 644 Cb 0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3i01 h LYS 644 CO -0.13 0.63 -0.78 0.82 -0.57 0.00 0.00 179.45 179.42 3i01 h ILE 645 N 0.77 1.40 -0.30 1.86 2.04 0.82 -0.60 117.51 123.51 3i01 h ILE 645 Ca 0.19 -2.25 -0.11 0.00 1.00 0.00 0.00 64.86 63.69 3i01 h ILE 645 Cb 0.14 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3i01 h ILE 645 CO -0.02 0.67 -0.26 -0.07 0.00 0.00 0.00 178.15 178.47 3i01 h LEU 646 N 0.23 0.60 -0.46 1.44 3.38 -0.58 -0.68 115.31 119.24 3i01 h LEU 646 Ca -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3i01 h LEU 646 Cb 1.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3i01 h LEU 646 CO 0.13 0.85 0.27 0.44 0.09 0.00 0.00 178.44 180.21 3i01 h ASP 647 N 0.52 0.57 -0.73 -0.43 3.32 -0.51 -0.06 116.42 119.09 3i01 h ASP 647 Ca 0.07 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3i01 h ASP 647 Cb 0.72 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3i01 h ASP 647 CO 0.06 0.47 0.32 0.00 -1.72 0.00 0.00 179.24 178.37 3i01 h ALA 648 N 1.12 1.16 -0.19 3.45 0.00 -0.74 0.12 119.26 124.18 3i01 h ALA 648 Ca 0.16 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3i01 h ALA 648 Cb 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3i01 h ALA 648 CO -0.03 0.62 -0.29 -0.07 0.00 0.00 0.00 179.25 179.48 3i01 h LEU 649 N 1.07 0.58 -0.67 0.00 3.38 -1.07 -3.06 115.31 115.53 3i01 h LEU 649 Ca 0.25 -0.52 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3i01 h LEU 649 Cb 0.17 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3i01 h LEU 649 CO -0.02 0.99 0.40 -0.08 0.09 0.00 0.00 178.44 179.81 3i01 h GLU 650 N 0.18 0.74 -0.75 1.13 4.22 -0.78 -0.72 114.58 118.61 3i01 h GLU 650 Ca 0.02 -0.04 0.17 0.00 0.08 0.00 0.00 59.36 59.58 3i01 h GLU 650 Cb 0.87 -0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 3i01 h GLU 650 CO 0.07 0.49 -0.02 -0.92 -2.18 0.00 0.00 179.01 176.44 3i01 h TYR 651 N 0.76 -0.10 0.11 0.92 3.20 -0.76 0.17 116.97 121.27 3i01 h TYR 651 Ca 0.28 0.06 -0.28 0.00 3.14 0.00 0.00 58.73 61.94 3i01 h TYR 651 Cb 0.10 0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.54 3i01 h TYR 651 CO -0.06 -0.25 -1.20 0.00 -1.64 0.00 0.00 178.16 175.01 3i01 h ARG 652 N 0.08 0.40 -0.11 1.82 3.08 -1.28 -1.67 114.38 116.71 3i01 h ARG 652 Ca 0.40 -0.58 -0.18 0.00 0.07 0.00 0.00 59.98 59.69 3i01 h ARG 652 Cb 0.69 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3i01 h ARG 652 CO -0.67 1.25 -0.67 1.79 -1.07 0.00 0.00 179.97 180.59 3i01 h THR 653 N 0.15 1.36 0.26 2.04 1.35 -0.81 -2.09 112.91 115.17 3i01 h THR 653 Ca -0.15 -2.02 -0.01 0.00 -0.55 0.00 0.00 66.41 63.69 3i01 h THR 653 Cb 1.89 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 70.31 3i01 h THR 653 CO 0.21 0.61 -0.23 -0.25 -0.25 0.00 0.00 175.52 175.62 3i01 h TRP 654 N 0.33 -0.63 -0.45 4.73 7.01 -0.65 -1.43 115.95 124.86 3i01 h TRP 654 Ca -0.02 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.04 3i01 h TRP 654 Cb 1.24 0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.51 3i01 h TRP 654 CO 0.05 -0.31 0.30 -0.22 -2.79 0.00 0.00 178.44 175.47 3i01 h LYS 655 N -0.48 0.35 -0.42 2.65 3.64 -1.26 0.31 116.57 121.35 3i01 h LYS 655 Ca -0.03 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 3i01 h LYS 655 Cb 0.41 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3i01 h LYS 655 CO -0.01 0.23 -0.20 1.25 -2.27 0.00 0.00 179.45 178.45 3i01 h LEU 656 N 0.36 0.91 -0.41 5.20 6.46 -1.39 0.79 115.31 127.23 3i01 h LEU 656 Ca 0.20 -0.40 -0.04 0.00 -0.12 0.00 0.00 57.88 57.51 3i01 h LEU 656 Cb 0.32 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3i01 h LEU 656 CO -0.05 1.11 0.09 1.23 -0.62 0.00 0.00 178.44 180.21 3i01 h GLY 657 N 0.70 0.72 0.99 3.75 0.00 0.67 -2.33 103.07 107.58 3i01 h GLY 657 Ca 0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 3i01 h GLY 657 CO 0.06 0.43 -0.37 -2.08 0.00 0.00 0.00 176.54 174.58 3i01 h VAL 658 N 0.53 0.23 -0.69 4.60 2.07 -0.78 -1.86 116.25 120.35 3i01 h VAL 658 Ca 0.13 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.77 3i01 h VAL 658 Cb 0.33 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 30.23 3i01 h VAL 658 CO 0.00 0.00 0.12 0.45 0.02 0.00 0.00 177.57 178.16 3i01 h HIS 659 N -1.05 0.17 -0.41 1.57 3.86 -0.88 0.34 115.15 118.74 3i01 h HIS 659 Ca -0.11 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3i01 h HIS 659 Cb 0.80 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.26 3i01 h HIS 659 CO -0.02 -0.11 0.15 0.87 0.86 0.00 0.00 177.93 179.68 3i01 h LYS 660 N 0.22 0.31 0.01 2.45 1.57 -1.35 0.22 116.57 120.00 3i01 h LYS 660 Ca 0.38 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 3i01 h LYS 660 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3i01 h LYS 660 CO -0.51 0.21 -0.06 0.93 -0.57 0.00 0.00 179.45 179.44 3i01 h GLU 661 N 0.32 -0.11 -0.31 3.15 5.08 -0.24 -1.62 114.58 120.87 3i01 h GLU 661 Ca 0.19 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3i01 h GLU 661 Cb 0.16 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3i01 h GLU 661 CO -0.18 -0.07 0.15 0.28 -1.00 0.00 0.00 179.01 178.18 3i01 h VAL 662 N -0.11 0.98 -0.20 3.13 2.07 -0.11 -0.47 116.25 121.54 3i01 h VAL 662 Ca 0.02 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3i01 h VAL 662 Cb 0.14 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3i01 h VAL 662 CO -0.06 0.06 -0.01 0.00 0.02 0.00 0.00 177.57 177.58 3i01 h ALA 663 N 1.16 1.62 -0.06 1.67 0.00 -0.49 0.08 119.26 123.25 3i01 h ALA 663 Ca 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i01 h ALA 663 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i01 h ALA 663 CO -0.10 0.28 -0.07 1.49 0.00 0.00 0.00 179.25 180.85 3i01 h GLU 664 N 0.28 0.15 -0.23 0.00 4.81 -0.87 -0.64 114.58 118.08 3i01 h GLU 664 Ca 0.07 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3i01 h GLU 664 Cb 0.21 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3i01 h GLU 664 CO 0.01 0.62 0.05 -0.09 -0.73 0.00 0.00 179.01 178.86 3i01 h ARG 665 N -0.31 0.13 -0.01 1.92 2.43 -0.66 -2.95 114.38 114.93 3i01 h ARG 665 Ca 0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i01 h ARG 665 Cb 0.60 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3i01 h ARG 665 CO 0.02 0.09 -0.19 0.66 -1.51 0.00 0.00 179.97 179.03 3i01 n TYR 666 N -5.09 0.00 -3.36 2.20 4.02 -0.02 -4.96 117.16 109.95 3i01 n TYR 666 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.69 3i01 n TYR 666 Cb 0.10 -0.05 0.07 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 -0.02 -6.45 -4.06 -0.72 1.02 -0.35 -5.03 120.64 105.03 3i01 n GLU 667 Ca 0.14 0.72 -0.26 0.00 -0.02 0.00 0.00 57.16 57.74 3i01 n GLU 667 Cb 0.41 -5.42 -0.04 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.29 1.84 0.74 2.62 -4.23 -0.57 -5.05 115.64 107.71 3i01 s THR 668 Ca 0.31 -1.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.09 3i01 s THR 668 Cb -0.13 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.28 3i01 s THR 668 CO 0.63 0.00 1.08 -0.54 -0.54 0.00 0.00 174.62 175.25 3i01 s LYS 669 N -4.10 2.52 0.11 3.99 3.01 -1.26 -4.70 119.74 119.30 3i01 s LYS 669 Ca 0.33 1.05 -0.30 0.00 -1.01 0.00 0.00 55.97 56.03 3i01 s LYS 669 Cb 0.00 -1.94 -0.06 0.00 -1.01 0.00 0.00 37.83 34.82 3i01 s LYS 669 CO 0.19 -1.42 1.16 -1.17 0.51 0.00 0.00 175.35 174.63 3i01 s LEU 670 N -5.76 4.41 0.32 3.17 2.96 -1.26 -4.81 118.68 117.72 3i01 s LEU 670 Ca 0.60 2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 56.28 3i01 s LEU 670 Cb -0.16 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 3i01 s LEU 670 CO 0.56 -0.38 1.43 0.00 -1.32 0.00 0.00 176.35 176.64 3i01 n GLN 672 N 1.19 2.86 -1.92 0.00 1.13 -1.26 -4.98 117.38 114.41 3i01 n GLN 672 Ca 0.03 -2.56 -0.33 0.00 -1.94 0.00 0.00 57.00 52.19 3i01 n GLN 672 Cb 0.40 -1.54 0.03 0.00 0.11 0.00 0.00 30.24 29.24 3i01 n GLN 672 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i01 s GLY 673 N -1.00 2.17 0.00 1.08 0.00 -1.26 -4.96 107.32 103.34 3i01 s GLY 673 Ca 0.44 0.49 0.19 0.00 0.00 0.00 0.00 44.72 45.84 3i01 s GLY 673 CO 0.29 0.83 1.55 -1.72 0.00 0.00 0.00 173.10 174.05