#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nvt n THR 3 N 0.00 -6.91 -3.97 12.58 -1.04 -1.26 -4.92 114.28 108.76 2nvt n THR 3 Ca 0.00 1.67 -0.13 0.00 -2.04 0.00 0.00 64.05 63.55 2nvt n THR 3 Cb 0.00 -3.46 -0.14 0.00 -1.82 0.00 0.00 70.33 64.91 2nvt n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2nvt s PHE 4 N -0.56 0.18 0.48 -1.42 -0.12 -1.26 -4.98 117.98 110.31 2nvt s PHE 4 Ca 0.00 -0.08 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 2nvt s PHE 4 Cb 0.00 -0.12 0.04 0.00 -0.63 0.00 0.00 43.02 42.31 2nvt s PHE 4 CO 0.00 -0.02 0.61 1.03 -0.05 0.00 0.00 175.22 176.79 2nvt s ARG 5 N -0.20 2.55 0.31 1.99 0.52 -1.26 -5.05 118.95 117.82 2nvt s ARG 5 Ca -0.01 -1.49 0.11 0.00 -0.52 0.00 0.00 55.73 53.82 2nvt s ARG 5 Cb -0.02 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.78 2nvt s ARG 5 CO -0.00 -0.50 -0.14 -0.06 0.02 0.00 0.00 175.30 174.62 2nvt s PHE 6 N -2.52 2.36 0.45 -0.53 0.40 -1.26 -3.10 117.98 113.79 2nvt s PHE 6 Ca 0.55 -0.42 -0.25 0.00 -0.60 0.00 0.00 56.93 56.21 2nvt s PHE 6 Cb -0.07 -1.21 -0.08 0.00 0.51 0.00 0.00 43.02 42.17 2nvt s PHE 6 CO 0.33 0.64 1.44 0.00 0.70 0.00 0.00 175.22 178.34 2nvt h ARG 8 N 2.29 -0.69 0.00 0.00 2.43 -1.99 -2.57 114.38 113.86 2nvt h ARG 8 Ca -0.51 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2nvt h ARG 8 Cb 1.27 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2nvt h ARG 8 CO 0.61 -0.38 -0.75 -0.44 -1.51 0.00 0.00 179.97 177.50 2nvt h ASP 9 N -0.97 0.00 0.00 -3.80 3.32 -2.00 -3.37 116.42 109.60 2nvt h ASP 9 Ca -0.07 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 2nvt h ASP 9 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2nvt h ASP 9 CO 0.12 0.06 -1.61 0.00 -1.72 0.00 0.00 179.24 176.09 2nvt n ASN 11 N -2.11 -3.37 -4.71 0.00 5.15 -0.97 -4.97 115.26 104.28 2nvt n ASN 11 Ca -0.09 -0.89 -0.32 0.00 -0.60 0.00 0.00 54.58 52.68 2nvt n ASN 11 Cb 0.53 -3.90 -0.08 0.00 -0.53 0.00 0.00 39.78 35.80 2nvt n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2nvt s ASN 12 N -3.90 4.03 0.03 1.20 0.02 -1.26 -4.84 114.94 110.21 2nvt s ASN 12 Ca 0.24 -1.63 -0.25 0.00 -1.02 0.00 0.00 52.86 50.19 2nvt s ASN 12 Cb -0.07 0.45 -0.05 0.00 0.02 0.00 0.00 41.25 41.60 2nvt s ASN 12 CO 0.83 -0.82 0.78 -0.32 0.02 0.00 0.00 177.10 177.59 2nvt s MET 13 N -3.85 4.51 -0.29 -0.60 1.75 -1.26 -0.92 119.30 118.64 2nvt s MET 13 Ca 0.09 1.09 -0.20 0.00 -1.25 0.00 0.00 55.69 55.42 2nvt s MET 13 Cb 0.02 -3.38 -0.01 0.00 2.84 0.00 0.00 34.83 34.30 2nvt s MET 13 CO 0.05 0.23 0.60 -0.51 -0.65 0.00 0.00 175.02 174.74 2nvt s LEU 14 N 0.13 4.11 0.28 4.11 1.43 -1.18 -4.48 118.68 123.08 2nvt s LEU 14 Ca 0.40 0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 53.87 2nvt s LEU 14 Cb -0.20 -2.79 -0.08 0.00 0.03 0.00 0.00 46.19 43.14 2nvt s LEU 14 CO 0.23 -0.42 0.65 -0.31 0.23 0.00 0.00 176.35 176.74 2nvt s TYR 15 N 2.52 3.41 0.77 0.29 1.51 -1.21 -4.67 117.35 119.97 2nvt s TYR 15 Ca 0.24 1.07 -0.12 0.00 -1.01 0.00 0.00 57.07 57.26 2nvt s TYR 15 Cb -0.15 -2.42 0.06 0.00 -0.11 0.00 0.00 41.96 39.34 2nvt s TYR 15 CO 0.10 0.18 1.13 -1.25 -1.11 0.00 0.00 175.55 174.61 2nvt s PRO 16 N -2.85 2.28 0.10 -1.71 0.04 -1.26 0.02 135.00 131.62 2nvt s PRO 16 Ca 0.51 0.33 -0.25 0.00 0.04 0.00 0.00 61.00 61.62 2nvt s PRO 16 Cb -0.11 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.54 2nvt s PRO 16 CO 0.19 -1.41 0.68 0.50 0.04 0.00 0.00 177.00 177.00 2nvt s ARG 17 N -5.42 1.14 -0.07 4.56 3.52 0.17 -4.84 118.95 118.01 2nvt s ARG 17 Ca 0.60 -0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.82 2nvt s ARG 17 Cb -0.12 0.53 -0.03 0.00 -1.56 0.00 0.00 34.95 33.77 2nvt s ARG 17 CO 0.51 -0.49 0.02 -2.00 -0.81 0.00 0.00 175.30 172.53 2nvt s GLU 18 N -3.36 3.00 0.27 5.12 2.12 -1.26 -1.72 118.70 122.86 2nvt s GLU 18 Ca 0.01 -0.42 0.14 0.00 0.36 0.00 0.00 54.97 55.06 2nvt s GLU 18 Cb -0.01 -2.81 0.17 0.00 0.26 0.00 0.00 34.13 31.74 2nvt s GLU 18 CO -0.10 0.69 1.49 0.22 -0.54 0.00 0.00 175.26 177.02 2nvt h ASP 19 N 4.93 0.00 0.00 -1.70 1.82 -1.91 -3.47 116.42 116.10 2nvt h ASP 19 Ca -0.51 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2nvt h ASP 19 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 2nvt h ASP 19 CO 0.56 0.58 0.00 0.29 -1.61 0.00 0.00 179.24 179.06 2nvt n LYS 20 N -3.35 0.00 0.03 0.28 5.02 -1.26 -4.19 118.16 114.69 2nvt n LYS 20 Ca 0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 2nvt n LYS 20 Cb 0.72 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.64 2nvt n LYS 20 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2nvt h GLU 21 N 0.00 -0.06 -0.01 1.97 5.08 -1.96 -3.30 114.58 116.29 2nvt h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2nvt h GLU 21 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2nvt h GLU 21 CO 0.00 0.24 -0.52 0.09 -1.00 0.00 0.00 179.01 177.81 2nvt n ASN 22 N -4.98 1.85 -3.24 1.42 3.02 -1.26 -5.02 115.26 107.06 2nvt n ASN 22 Ca -0.08 -1.43 -0.16 0.00 -0.03 0.00 0.00 54.58 52.89 2nvt n ASN 22 Cb 0.18 0.54 0.08 0.00 -0.61 0.00 0.00 39.78 39.97 2nvt n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2nvt n ASN 23 N -0.22 -2.64 -4.19 6.41 3.02 -1.25 -5.05 115.26 111.35 2nvt n ASN 23 Ca 0.08 -0.59 -0.11 0.00 -0.03 0.00 0.00 54.58 53.93 2nvt n ASN 23 Cb 0.43 -4.82 -0.10 0.00 -0.61 0.00 0.00 39.78 34.69 2nvt n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nvt s ARG 24 N -5.13 0.97 -0.18 3.52 1.70 -1.26 -5.02 118.95 113.55 2nvt s ARG 24 Ca 0.06 -1.44 -0.11 0.00 -0.47 0.00 0.00 55.73 53.76 2nvt s ARG 24 Cb -0.01 -0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.22 2nvt s ARG 24 CO 0.68 -0.13 0.19 -1.17 -1.08 0.00 0.00 175.30 173.79 2nvt s LEU 25 N -3.10 4.23 -0.17 -1.89 2.96 -1.26 -2.84 118.68 116.61 2nvt s LEU 25 Ca 0.20 0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 54.46 2nvt s LEU 25 Cb 0.06 -2.20 0.04 0.00 0.50 0.00 0.00 46.19 44.60 2nvt s LEU 25 CO 0.00 0.16 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.36 2nvt s LEU 26 N 0.31 1.81 0.39 -0.68 1.43 -0.70 -0.39 118.68 120.86 2nvt s LEU 26 Ca 0.12 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 2nvt s LEU 26 Cb -0.12 -1.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.98 2nvt s LEU 26 CO 0.01 -0.16 0.96 -0.36 0.23 0.00 0.00 176.35 177.02 2nvt s PHE 27 N 1.55 3.42 -0.29 0.29 0.40 -0.86 0.43 117.98 122.93 2nvt s PHE 27 Ca 0.00 1.67 -0.14 0.00 -0.60 0.00 0.00 56.93 57.87 2nvt s PHE 27 Cb -0.15 -2.91 0.12 0.00 0.51 0.00 0.00 43.02 40.58 2nvt s PHE 27 CO -0.08 -0.08 0.78 -1.83 0.70 0.00 0.00 175.22 174.71 2nvt s GLU 28 N -2.72 0.54 0.89 0.44 4.04 0.10 -1.66 118.70 120.33 2nvt s GLU 28 Ca 0.58 1.11 -0.12 0.00 0.04 0.00 0.00 54.97 56.58 2nvt s GLU 28 Cb -0.14 0.39 0.12 0.00 0.02 0.00 0.00 34.13 34.53 2nvt s GLU 28 CO 0.19 -0.14 1.10 0.00 -1.84 0.00 0.00 175.26 174.56 2nvt n ARG 30 N -3.79 3.30 0.05 0.00 1.74 -1.26 -4.70 116.66 112.00 2nvt n ARG 30 Ca 0.07 -4.32 0.00 0.00 -0.77 0.00 0.00 57.85 52.83 2nvt n ARG 30 Cb 0.56 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 2nvt n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2nvt n THR 31 N -0.52 0.97 0.00 0.55 -1.04 -1.26 -5.07 114.28 107.91 2nvt n THR 31 Ca 0.38 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.71 2nvt n THR 31 Cb 0.76 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 2nvt n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nvt n SER 33 N 0.00 1.98 -3.07 0.00 7.64 -1.26 -4.91 113.62 114.00 2nvt n SER 33 Ca 0.00 -0.29 -0.33 0.00 1.01 0.00 0.00 58.87 59.26 2nvt n SER 33 Cb 0.00 1.20 -0.02 0.00 -1.01 0.00 0.00 64.21 64.38 2nvt n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nvt n TYR 34 N -1.51 -0.54 -3.22 1.43 9.36 -1.26 -4.76 117.16 116.66 2nvt n TYR 34 Ca -0.00 0.64 -0.01 0.00 3.32 0.00 0.00 57.90 61.84 2nvt n TYR 34 Cb 0.16 -1.35 -0.03 0.00 -0.63 0.00 0.00 39.34 37.50 2nvt n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2nvt s VAL 35 N -0.78 -0.85 0.35 2.97 1.01 -1.26 -2.69 120.40 119.15 2nvt s VAL 35 Ca 0.44 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.41 2nvt s VAL 35 Cb -0.61 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2nvt s VAL 35 CO 0.40 -0.09 0.28 -1.83 0.00 0.00 0.00 175.10 173.86 2nvt s GLU 36 N 2.72 2.62 0.57 2.72 -1.05 -0.67 -4.99 118.70 120.62 2nvt s GLU 36 Ca 0.13 -1.39 -0.08 0.00 -0.15 0.00 0.00 54.97 53.49 2nvt s GLU 36 Cb -0.13 -2.40 -0.02 0.00 -0.44 0.00 0.00 34.13 31.14 2nvt s GLU 36 CO -0.24 0.05 0.91 -1.83 0.95 0.00 0.00 175.26 175.10 2nvt s GLU 37 N -3.99 3.34 -0.06 -4.83 -1.05 -1.26 -2.03 118.70 108.82 2nvt s GLU 37 Ca 0.41 0.33 -0.30 0.00 -0.15 0.00 0.00 54.97 55.27 2nvt s GLU 37 Cb -0.05 -2.23 -0.02 0.00 -0.44 0.00 0.00 34.13 31.39 2nvt s GLU 37 CO 0.26 -0.50 0.99 0.00 0.95 0.00 0.00 175.26 176.96 2nvt s ALA 38 N -2.98 3.30 -0.00 -0.84 0.00 0.47 -4.71 121.76 117.00 2nvt s ALA 38 Ca 0.52 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.68 2nvt s ALA 38 Cb -0.11 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.46 2nvt s ALA 38 CO 0.48 -0.45 1.12 0.78 0.00 0.00 0.00 175.76 177.69 2nvt h GLY 39 N 7.50 -0.46 -3.64 0.00 0.00 -1.96 -3.46 103.07 101.06 2nvt h GLY 39 Ca -0.35 0.17 -0.50 0.00 0.00 0.00 0.00 47.33 46.64 2nvt h GLY 39 CO 0.81 -0.17 -0.45 -0.45 0.00 0.00 0.00 176.54 176.28 2nvt s SER 40 N -5.08 6.30 0.11 0.19 0.15 -1.26 -4.99 113.70 109.12 2nvt s SER 40 Ca -0.13 0.11 0.27 0.00 0.70 0.00 0.00 55.95 56.90 2nvt s SER 40 Cb 0.02 -1.87 1.01 0.00 -1.71 0.00 0.00 66.02 63.46 2nvt s SER 40 CO 0.50 -0.01 1.83 -2.65 1.20 0.00 0.00 173.24 174.12 2nvt n PRO 41 N -0.95 0.13 -2.81 5.44 -0.02 -1.26 -4.86 135.00 130.67 2nvt n PRO 41 Ca -0.08 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 2nvt n PRO 41 Cb 0.55 -1.66 -0.04 0.00 -0.02 0.00 0.00 33.50 32.34 2nvt n PRO 41 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2nvt s LEU 42 N -3.79 4.01 -0.20 2.45 2.96 -1.26 -4.91 118.68 117.94 2nvt s LEU 42 Ca 0.12 0.68 0.15 0.00 -0.22 0.00 0.00 54.13 54.85 2nvt s LEU 42 Cb 0.15 -3.27 -0.22 0.00 0.50 0.00 0.00 46.19 43.35 2nvt s LEU 42 CO 0.55 -0.81 0.02 0.52 -1.32 0.00 0.00 176.35 175.31 2nvt n VAL 43 N 5.86 1.33 -3.68 1.68 0.31 -1.26 -4.89 118.33 117.68 2nvt n VAL 43 Ca 0.07 -0.77 -0.09 0.00 -0.01 0.00 0.00 64.34 63.54 2nvt n VAL 43 Cb 0.48 -0.63 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 2nvt n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2nvt s TYR 44 N -2.47 -0.75 -0.02 3.52 5.04 -1.26 -5.04 117.35 116.37 2nvt s TYR 44 Ca -0.13 1.54 0.04 0.00 -2.44 0.00 0.00 57.07 56.07 2nvt s TYR 44 Cb 0.06 0.37 -0.01 0.00 0.35 0.00 0.00 41.96 42.73 2nvt s TYR 44 CO 0.75 -0.41 -0.13 0.50 -1.34 0.00 0.00 175.55 174.92 2nvt s ARG 45 N 1.66 1.12 -0.10 4.97 3.52 -1.26 -5.08 118.95 123.78 2nvt s ARG 45 Ca -0.09 -0.45 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 2nvt s ARG 45 Cb -0.08 -1.05 -0.03 0.00 -1.56 0.00 0.00 34.95 32.22 2nvt s ARG 45 CO -0.15 0.24 -0.18 1.58 -0.81 0.00 0.00 175.30 175.99 2nvt n HIS 46 N 2.92 0.21 -1.65 5.12 -0.00 -1.26 -5.00 115.22 115.55 2nvt n HIS 46 Ca -0.15 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2nvt n HIS 46 Cb 0.55 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 2nvt n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2nvt n GLU 47 N -3.69 -4.43 0.00 1.57 1.02 -1.26 -5.03 120.64 108.82 2nvt n GLU 47 Ca -0.07 3.35 0.00 0.00 -0.02 0.00 0.00 57.16 60.42 2nvt n GLU 47 Cb 0.26 -3.96 0.00 0.00 -0.02 0.00 0.00 31.44 27.72 2nvt n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nvt n LEU 48 N -1.58 -0.00 -4.54 -4.62 4.77 -1.26 -4.92 117.00 104.84 2nvt n LEU 48 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2nvt n LEU 48 Cb 0.19 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 2nvt n LEU 48 CO 0.00 -0.43 0.38 -0.63 -1.33 0.00 0.00 177.39 175.38 2nvt s ILE 49 N -2.00 4.86 -0.03 -0.08 1.01 -1.26 -5.06 121.20 118.63 2nvt s ILE 49 Ca 0.00 0.35 0.06 0.00 0.00 0.00 0.00 60.65 61.07 2nvt s ILE 49 Cb 0.00 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 2nvt s ILE 49 CO 0.00 -0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 173.38 2nvt s THR 50 N 2.77 2.47 0.00 2.92 2.01 -1.26 -5.10 115.64 119.44 2nvt s THR 50 Ca 0.24 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2nvt s THR 50 Cb -0.14 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.46 2nvt s THR 50 CO 0.17 0.58 0.00 0.59 -0.69 0.00 0.00 174.62 175.27 2nvt n ASN 51 N 2.38 0.00 -4.68 3.53 3.02 -1.26 -4.91 115.26 113.34 2nvt n ASN 51 Ca -0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.96 2nvt n ASN 51 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2nvt n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2nvt s ILE 52 N 0.00 4.58 0.00 2.41 2.07 -1.26 -2.81 121.20 126.19 2nvt s ILE 52 Ca 0.00 1.88 0.00 0.00 -1.41 0.00 0.00 60.65 61.12 2nvt s ILE 52 Cb 0.00 -4.21 0.00 0.00 0.13 0.00 0.00 42.46 38.38 2nvt s ILE 52 CO 0.00 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 2nvt n GLY 53 N 3.28 1.91 0.00 1.50 0.00 -1.26 -5.07 105.19 105.55 2nvt n GLY 53 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2nvt n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nvt n GLU 54 N 0.00 0.00 -1.55 1.61 1.02 -1.12 -3.55 120.64 117.05 2nvt n GLU 54 Ca 0.00 0.00 -0.65 0.00 -0.02 0.00 0.00 57.16 56.49 2nvt n GLU 54 Cb 0.00 -0.39 -0.11 0.00 -0.02 0.00 0.00 31.44 30.92 2nvt n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2nvt n THR 55 N 0.00 0.00 -3.39 2.62 -1.04 -1.26 -3.41 114.28 107.80 2nvt n THR 55 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 2nvt n THR 55 Cb 0.00 -0.50 -0.09 0.00 -1.82 0.00 0.00 70.33 67.92 2nvt n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nvt s ALA 56 N 4.17 -0.52 -0.30 2.41 0.00 -1.26 -4.87 121.76 121.39 2nvt s ALA 56 Ca 1.10 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 2nvt s ALA 56 Cb -1.49 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2nvt s ALA 56 CO 0.75 -1.79 0.21 0.41 0.00 0.00 0.00 175.76 175.35 2nvt n GLY 57 N 5.14 0.56 3.58 0.00 0.00 -1.26 -4.94 105.19 108.27 2nvt n GLY 57 Ca 0.00 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 2nvt n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nvt s VAL 58 N -2.92 3.83 0.53 1.61 1.01 -1.26 -4.96 120.40 118.23 2nvt s VAL 58 Ca 0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 2nvt s VAL 58 Cb -0.05 -4.86 0.01 0.00 0.00 0.00 0.00 36.38 31.49 2nvt s VAL 58 CO 0.13 -1.53 0.78 0.68 0.00 0.00 0.00 175.10 175.15 2nvt s VAL 59 N 7.43 3.45 0.40 2.92 -7.23 -1.26 -5.03 120.40 121.08 2nvt s VAL 59 Ca 0.60 -0.40 0.08 0.00 -1.81 0.00 0.00 61.98 60.45 2nvt s VAL 59 Cb 0.01 -3.32 0.20 0.00 0.56 0.00 0.00 36.38 33.84 2nvt s VAL 59 CO 0.08 -0.26 1.98 -0.61 -0.31 0.00 0.00 175.10 175.98 2nvt h GLN 60 N 0.10 0.37 -0.88 4.82 5.75 -2.03 -2.87 115.11 120.36 2nvt h GLN 60 Ca -0.45 -0.05 -0.62 0.00 -0.15 0.00 0.00 58.65 57.38 2nvt h GLN 60 Cb 1.27 -0.07 -0.35 0.00 1.07 0.00 0.00 27.48 29.40 2nvt h GLN 60 CO 0.57 0.37 0.11 -0.40 -2.65 0.00 0.00 178.83 176.83 2nvt n ASP 61 N -4.37 6.43 -0.26 -0.69 3.85 -1.26 -4.70 116.55 115.55 2nvt n ASP 61 Ca 0.01 -3.77 -0.04 0.00 -0.71 0.00 0.00 54.79 50.27 2nvt n ASP 61 Cb 0.18 -0.69 0.11 0.00 -1.35 0.00 0.00 41.12 39.37 2nvt n ASP 61 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 2nvt h ILE 62 N 1.53 1.25 -0.99 2.12 2.10 -1.91 -2.90 117.51 118.72 2nvt h ILE 62 Ca 0.50 -0.75 0.21 0.00 1.08 0.00 0.00 64.86 65.90 2nvt h ILE 62 Cb 1.15 0.30 -0.11 0.00 -1.09 0.00 0.00 36.82 37.07 2nvt h ILE 62 CO 1.22 0.31 0.58 1.23 -1.08 0.00 0.00 178.15 180.41 2nvt h GLY 63 N 1.14 1.80 2.00 8.18 0.00 -1.87 -0.56 103.07 113.76 2nvt h GLY 63 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2nvt h GLY 63 CO -0.03 -0.14 0.00 1.48 0.00 0.00 0.00 176.54 177.85 2nvt h SER 64 N 0.67 0.00 -2.89 0.19 4.64 -1.90 -3.41 113.55 110.85 2nvt h SER 64 Ca 0.60 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.37 2nvt h SER 64 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2nvt h SER 64 CO -0.43 0.00 0.85 -0.62 -0.87 0.00 0.00 176.83 175.77 2nvt s ASP 65 N -4.98 6.85 0.04 4.97 2.15 -0.22 -4.93 116.67 120.55 2nvt s ASP 65 Ca -0.03 2.07 0.25 0.00 0.43 0.00 0.00 52.55 55.28 2nvt s ASP 65 Cb 0.11 -2.56 0.52 0.00 -0.30 0.00 0.00 42.92 40.69 2nvt s ASP 65 CO 0.40 -0.73 1.43 -0.81 -0.17 0.00 0.00 175.17 175.29 2nvt n PRO 66 N 5.62 0.10 -1.29 4.34 -0.04 -1.26 -4.20 135.00 138.28 2nvt n PRO 66 Ca 0.13 0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.31 2nvt n PRO 66 Cb 0.44 -1.57 0.10 0.00 -0.04 0.00 0.00 33.50 32.43 2nvt n PRO 66 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nvt n THR 67 N -1.72 3.50 -4.07 0.52 -2.24 -1.26 -4.85 114.28 104.17 2nvt n THR 67 Ca 0.05 -2.64 -0.16 0.00 -2.27 0.00 0.00 64.05 59.02 2nvt n THR 67 Cb 0.37 -1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 67.44 2nvt n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2nvt s LEU 68 N -3.62 1.70 0.00 3.22 1.43 -1.26 -5.16 118.68 114.98 2nvt s LEU 68 Ca 0.62 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2nvt s LEU 68 Cb 0.49 -0.25 0.04 0.00 0.03 0.00 0.00 46.19 46.51 2nvt s LEU 68 CO 0.02 -0.00 0.10 -0.81 0.23 0.00 0.00 176.35 175.89 2nvt n PRO 69 N 3.42 -0.47 -3.64 1.29 -0.04 -1.26 -4.87 135.00 129.43 2nvt n PRO 69 Ca -0.18 -0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.02 2nvt n PRO 69 Cb 0.55 -0.32 -0.07 0.00 -0.04 0.00 0.00 33.50 33.63 2nvt n PRO 69 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2nvt s ARG 70 N -2.04 0.75 0.53 0.54 3.52 -1.26 -4.15 118.95 116.84 2nvt s ARG 70 Ca 0.08 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 2nvt s ARG 70 Cb -0.01 0.23 -0.00 0.00 -1.56 0.00 0.00 34.95 33.61 2nvt s ARG 70 CO 0.06 -0.13 0.02 -1.54 -0.81 0.00 0.00 175.30 172.90 2nvt s SER 71 N 1.21 4.19 -0.01 -2.12 1.04 -1.12 -5.03 113.70 111.85 2nvt s SER 71 Ca -0.07 -1.68 0.14 0.00 0.48 0.00 0.00 55.95 54.82 2nvt s SER 71 Cb -0.05 0.66 0.42 0.00 0.10 0.00 0.00 66.02 67.14 2nvt s SER 71 CO -0.13 -0.92 1.35 -0.90 0.98 0.00 0.00 173.24 173.62 2nvt n ASP 72 N -1.33 3.30 -4.77 7.02 5.75 -1.26 -4.62 116.55 120.64 2nvt n ASP 72 Ca -0.21 -2.06 -0.39 0.00 -0.01 0.00 0.00 54.79 52.13 2nvt n ASP 72 Cb 0.67 -0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 2nvt n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2nvt s ARG 73 N -1.11 4.37 0.55 0.11 0.52 -1.26 -4.97 118.95 117.16 2nvt s ARG 73 Ca 0.32 1.72 -0.19 0.00 -0.52 0.00 0.00 55.73 57.05 2nvt s ARG 73 Cb 0.17 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 2nvt s ARG 73 CO 0.20 -0.01 1.13 -1.21 0.02 0.00 0.00 175.30 175.44 2nvt s GLU 74 N -1.96 3.31 -0.17 3.54 2.02 -1.26 -4.52 118.70 119.66 2nvt s GLU 74 Ca 0.51 1.62 -0.19 0.00 0.02 0.00 0.00 54.97 56.92 2nvt s GLU 74 Cb -0.29 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 2nvt s GLU 74 CO 0.36 -0.89 0.55 0.00 0.02 0.00 0.00 175.26 175.31 2nvt h PRO 76 N 7.21 -0.21 -0.49 0.00 0.11 -1.95 -2.92 132.00 133.76 2nvt h PRO 76 Ca -0.36 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 2nvt h PRO 76 Cb 1.16 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2nvt h PRO 76 CO 0.75 -0.14 0.02 1.57 -0.21 0.00 0.00 178.00 180.00 2nvt h LYS 77 N -0.22 0.84 -3.83 1.05 2.10 -2.01 -3.42 116.57 111.07 2nvt h LYS 77 Ca 0.12 -0.26 -0.45 0.00 -2.00 0.00 0.00 60.65 58.06 2nvt h LYS 77 Cb 0.40 -0.08 -0.37 0.00 -0.90 0.00 0.00 32.23 31.27 2nvt h LYS 77 CO -0.32 0.87 -0.77 0.00 -2.00 0.00 0.00 179.45 177.23 2nvt h HIS 79 N 8.16 0.00 -0.88 0.00 3.86 -1.83 -3.35 115.15 121.11 2nvt h HIS 79 Ca -0.24 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.33 2nvt h HIS 79 Cb 1.13 0.00 0.07 0.00 1.06 0.00 0.00 27.41 29.67 2nvt h HIS 79 CO 0.48 0.03 -0.21 0.45 0.86 0.00 0.00 177.93 179.54 2nvt n SER 80 N -4.22 -0.56 -1.43 2.45 2.88 -1.26 -3.90 113.62 107.58 2nvt n SER 80 Ca -0.03 1.01 -0.05 0.00 -1.33 0.00 0.00 58.87 58.47 2nvt n SER 80 Cb 0.12 -0.82 0.15 0.00 -0.75 0.00 0.00 64.21 62.90 2nvt n SER 80 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2nvt n ARG 81 N 1.10 2.28 -3.46 -1.46 1.74 -1.26 -3.67 116.66 111.92 2nvt n ARG 81 Ca 0.17 -1.56 -0.41 0.00 -0.77 0.00 0.00 57.85 55.27 2nvt n ARG 81 Cb 0.15 -1.74 -0.10 0.00 -1.02 0.00 0.00 32.46 29.75 2nvt n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2nvt s GLU 82 N -1.78 3.33 -0.28 5.56 0.41 -1.26 -4.70 118.70 119.97 2nvt s GLU 82 Ca 0.28 -0.71 -0.17 0.00 -0.41 0.00 0.00 54.97 53.97 2nvt s GLU 82 Cb 0.23 -3.87 0.11 0.00 -1.78 0.00 0.00 34.13 28.81 2nvt s GLU 82 CO 0.07 -0.58 0.81 0.54 -0.49 0.00 0.00 175.26 175.60 2nvt s ASN 83 N 1.72 -0.77 0.54 -0.19 4.22 -1.26 0.01 114.94 119.22 2nvt s ASN 83 Ca 0.08 1.24 -0.05 0.00 -2.14 0.00 0.00 52.86 51.98 2nvt s ASN 83 Cb -0.18 1.31 -0.01 0.00 1.28 0.00 0.00 41.25 43.66 2nvt s ASN 83 CO 0.11 -0.20 0.85 -0.69 -2.04 0.00 0.00 177.10 175.13 2nvt s VAL 84 N 1.45 4.15 0.29 3.54 1.01 -1.11 -2.80 120.40 126.93 2nvt s VAL 84 Ca -0.09 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 2nvt s VAL 84 Cb -0.04 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2nvt s VAL 84 CO -0.17 -0.61 0.51 0.72 0.00 0.00 0.00 175.10 175.55 2nvt s PHE 85 N -2.88 0.50 0.00 5.22 -0.12 -1.26 -1.43 117.98 118.01 2nvt s PHE 85 Ca 0.51 -0.87 0.00 0.00 -0.05 0.00 0.00 56.93 56.52 2nvt s PHE 85 Cb -0.10 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 2nvt s PHE 85 CO 0.45 -1.10 0.00 1.97 -0.05 0.00 0.00 175.22 176.49 2nvt n PHE 86 N -0.44 0.00 -1.61 3.49 1.16 -0.82 -4.16 117.46 115.07 2nvt n PHE 86 Ca -0.02 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.27 2nvt n PHE 86 Cb 0.62 0.00 0.13 0.00 -1.61 0.00 0.00 39.48 38.61 2nvt n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2nvt s GLN 87 N -2.00 1.26 -0.06 3.97 -0.21 -1.26 -0.93 119.66 120.43 2nvt s GLN 87 Ca 0.00 0.23 -0.40 0.00 0.02 0.00 0.00 55.36 55.22 2nvt s GLN 87 Cb 0.00 -1.86 -0.18 0.00 1.00 0.00 0.00 33.01 31.97 2nvt s GLN 87 CO 0.00 -2.11 1.31 0.45 -2.12 0.00 0.00 175.29 172.82 2nvt n SER 88 N -3.69 1.02 0.11 5.90 2.88 -1.22 -4.84 113.62 113.77 2nvt n SER 88 Ca 0.07 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.87 2nvt n SER 88 Cb 0.60 -1.04 0.16 0.00 -0.75 0.00 0.00 64.21 63.18 2nvt n SER 88 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2nvt h GLN 89 N 4.29 0.00 -4.31 -1.46 1.08 -1.81 -3.40 115.11 109.49 2nvt h GLN 89 Ca -0.48 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.37 2nvt h GLN 89 Cb 1.38 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.86 2nvt h GLN 89 CO 0.77 0.00 1.55 0.94 -0.95 0.00 0.00 178.83 181.14 2nvt n GLN 90 N -2.45 0.53 -1.58 1.46 7.27 -1.23 -4.84 117.38 116.54 2nvt n GLN 90 Ca 0.03 -1.00 -0.14 0.00 0.07 0.00 0.00 57.00 55.96 2nvt n GLN 90 Cb 0.48 -2.36 -0.07 0.00 2.41 0.00 0.00 30.24 30.69 2nvt n GLN 90 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2nvt s ARG 91 N 5.42 1.54 -0.02 3.69 1.81 -1.26 -4.87 118.95 125.27 2nvt s ARG 91 Ca 0.37 0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.76 2nvt s ARG 91 Cb 0.09 -4.81 0.01 0.00 -0.45 0.00 0.00 34.95 29.79 2nvt s ARG 91 CO 0.13 -4.59 -0.01 0.50 -0.68 0.00 0.00 175.30 170.65 2nvt s ARG 92 N 8.84 0.26 0.52 3.54 3.52 -1.26 -5.06 118.95 129.31 2nvt s ARG 92 Ca 0.91 0.00 0.45 0.00 -0.13 0.00 0.00 55.73 56.96 2nvt s ARG 92 Cb -0.12 -0.36 1.67 0.00 -1.56 0.00 0.00 34.95 34.58 2nvt s ARG 92 CO 0.09 -0.05 1.57 1.63 -0.81 0.00 0.00 175.30 177.73 2nvt n LYS 93 N 3.66 -0.01 -2.62 5.12 5.02 -1.26 -2.22 118.16 125.85 2nvt n LYS 93 Ca -0.21 1.15 -0.22 0.00 -2.02 0.00 0.00 58.31 57.00 2nvt n LYS 93 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 2nvt n LYS 93 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2nvt n ASP 94 N -4.19 3.73 -4.96 4.39 5.68 -1.26 -5.05 116.55 114.90 2nvt n ASP 94 Ca 0.44 -3.45 -0.23 0.00 -0.50 0.00 0.00 54.79 51.05 2nvt n ASP 94 Cb 1.89 -0.50 -0.02 0.00 -1.14 0.00 0.00 41.12 41.36 2nvt n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2nvt s THR 95 N -4.68 5.18 0.85 2.12 2.01 -0.94 -5.10 115.64 115.08 2nvt s THR 95 Ca 0.43 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 2nvt s THR 95 Cb 0.40 -3.86 0.10 0.00 0.01 0.00 0.00 72.50 69.15 2nvt s THR 95 CO -0.12 -0.44 1.11 -0.94 -0.69 0.00 0.00 174.62 173.54 2nvt s SER 96 N -3.99 4.00 -0.59 3.53 1.04 -1.26 -4.96 113.70 111.47 2nvt s SER 96 Ca 0.37 1.18 -0.01 0.00 0.48 0.00 0.00 55.95 57.96 2nvt s SER 96 Cb -0.09 -1.84 0.42 0.00 0.10 0.00 0.00 66.02 64.60 2nvt s SER 96 CO 0.32 -2.27 2.02 0.23 0.98 0.00 0.00 173.24 174.53 2nvt n MET 97 N -3.61 2.49 -2.69 4.02 2.81 -1.26 -4.69 117.12 114.19 2nvt n MET 97 Ca 0.07 -2.94 -0.37 0.00 -1.81 0.00 0.00 57.70 52.65 2nvt n MET 97 Cb 0.57 -2.15 -0.06 0.00 -0.71 0.00 0.00 33.22 30.88 2nvt n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2nvt s VAL 98 N -4.25 4.03 0.23 2.03 1.01 -1.26 -4.99 120.40 117.20 2nvt s VAL 98 Ca 0.58 1.65 0.01 0.00 0.00 0.00 0.00 61.98 64.22 2nvt s VAL 98 Cb 0.46 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2nvt s VAL 98 CO -0.00 0.10 0.40 -0.76 0.00 0.00 0.00 175.10 174.84 2nvt s LEU 99 N -2.22 4.22 -0.06 3.92 1.43 -1.26 -3.43 118.68 121.27 2nvt s LEU 99 Ca 0.52 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2nvt s LEU 99 Cb -0.20 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 42.93 2nvt s LEU 99 CO 0.26 -0.09 -0.09 -0.36 0.23 0.00 0.00 176.35 176.30 2nvt s PHE 100 N -1.96 1.20 -0.12 0.29 0.40 -0.10 -2.67 117.98 115.01 2nvt s PHE 100 Ca 0.37 -0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2nvt s PHE 100 Cb -0.10 -0.94 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 2nvt s PHE 100 CO 0.30 -0.26 -0.10 -0.06 0.70 0.00 0.00 175.22 175.80 2nvt s PHE 101 N 0.84 2.87 -0.38 0.36 0.40 0.02 -1.95 117.98 120.15 2nvt s PHE 101 Ca -0.12 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.72 2nvt s PHE 101 Cb -0.15 -1.83 0.05 0.00 0.51 0.00 0.00 43.02 41.60 2nvt s PHE 101 CO 0.02 -0.04 0.19 0.08 0.70 0.00 0.00 175.22 176.17 2nvt s VAL 102 N 0.05 4.18 -0.05 -0.44 1.01 -0.52 -1.84 120.40 122.80 2nvt s VAL 102 Ca -0.03 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 2nvt s VAL 102 Cb -0.14 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 2nvt s VAL 102 CO 0.04 -0.31 1.99 0.00 0.00 0.00 0.00 175.10 176.81 2nvt n LEU 104 N 7.86 0.00 0.00 0.00 7.99 0.10 -1.91 117.00 131.05 2nvt n LEU 104 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 2nvt n LEU 104 Cb 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 2nvt n LEU 104 CO 0.70 0.00 0.01 -1.20 -1.51 0.00 0.00 177.39 175.39 2nvt n SER 105 N -0.58 0.04 0.00 -1.43 7.64 -1.26 -4.80 113.62 113.23 2nvt n SER 105 Ca 0.02 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.48 2nvt n SER 105 Cb 0.01 0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 2nvt n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nvt n SER 107 N 0.00 -3.50 -4.77 0.00 7.64 -0.80 -4.93 113.62 107.25 2nvt n SER 107 Ca 0.00 0.31 -0.40 0.00 1.01 0.00 0.00 58.87 59.79 2nvt n SER 107 Cb 0.40 -3.25 0.01 0.00 -1.01 0.00 0.00 64.21 60.36 2nvt n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2nvt s HIS 108 N -2.16 2.59 -0.45 1.43 5.65 -1.26 -4.75 115.29 116.33 2nvt s HIS 108 Ca 0.00 1.27 0.04 0.00 0.25 0.00 0.00 55.06 56.62 2nvt s HIS 108 Cb 0.00 -3.89 0.12 0.00 -1.18 0.00 0.00 32.58 27.63 2nvt s HIS 108 CO 0.00 -2.74 0.19 0.42 -0.65 0.00 0.00 174.74 171.95 2nvt s ILE 109 N -1.19 2.53 0.34 0.89 1.09 -1.26 -1.06 121.20 122.54 2nvt s ILE 109 Ca 0.57 -2.92 0.08 0.00 -1.10 0.00 0.00 60.65 57.28 2nvt s ILE 109 Cb -0.43 -2.79 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 2nvt s ILE 109 CO 0.57 -0.73 0.17 0.72 -0.10 0.00 0.00 174.94 175.57 2nvt s PHE 110 N 0.19 2.75 0.25 3.97 -0.12 -0.77 -4.92 117.98 119.33 2nvt s PHE 110 Ca 0.15 -0.36 0.12 0.00 -0.05 0.00 0.00 56.93 56.78 2nvt s PHE 110 Cb -0.23 -1.67 -0.05 0.00 -0.63 0.00 0.00 43.02 40.44 2nvt s PHE 110 CO -0.03 0.31 -0.21 -0.08 -0.05 0.00 0.00 175.22 175.16 2nvt s THR 111 N -2.40 2.45 -0.78 -4.49 -1.32 -1.26 -0.79 115.64 107.04 2nvt s THR 111 Ca 0.38 -2.28 0.25 0.00 -1.21 0.00 0.00 61.69 58.83 2nvt s THR 111 Cb -0.03 -2.25 0.03 0.00 -1.51 0.00 0.00 72.50 68.75 2nvt s THR 111 CO 0.23 -0.30 1.37 -1.54 -2.21 0.00 0.00 174.62 172.17 2nvt n SER 112 N -0.32 0.59 -4.63 8.08 3.41 -1.09 -4.91 113.62 114.74 2nvt n SER 112 Ca -0.08 -0.01 -0.50 0.00 -0.26 0.00 0.00 58.87 58.03 2nvt n SER 112 Cb 0.59 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 2nvt n SER 112 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2nvt n ASP 113 N -1.86 2.39 -0.41 4.04 -0.08 -1.26 -4.92 116.55 114.45 2nvt n ASP 113 Ca 0.04 1.09 0.09 0.00 -1.51 0.00 0.00 54.79 54.51 2nvt n ASP 113 Cb 0.40 -1.29 0.19 0.00 2.34 0.00 0.00 41.12 42.75 2nvt n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2nvt n GLN 114 N 3.30 1.92 0.02 -0.67 6.02 -1.26 -4.78 117.38 121.92 2nvt n GLN 114 Ca 0.19 -2.70 -0.01 0.00 -0.01 0.00 0.00 57.00 54.46 2nvt n GLN 114 Cb 0.23 -1.64 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 2nvt n GLN 114 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2nvt n LYS 115 N -1.08 0.07 -4.60 -1.09 0.00 -1.26 -5.15 118.16 105.05 2nvt n LYS 115 Ca 0.18 0.03 -0.27 0.00 0.00 0.00 0.00 58.31 58.25 2nvt n LYS 115 Cb 0.74 -0.50 -0.10 0.00 0.00 0.00 0.00 35.03 35.17 2nvt n LYS 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2nvt s ASN 116 N -5.65 3.54 0.42 3.14 4.22 -1.26 -5.06 114.94 114.28 2nvt s ASN 116 Ca -0.04 -1.43 0.00 0.00 -2.14 0.00 0.00 52.86 49.26 2nvt s ASN 116 Cb 0.01 -0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.37 2nvt s ASN 116 CO 0.06 -0.56 0.00 0.29 -2.04 0.00 0.00 177.10 174.84 2nvt n LYS 117 N -0.95 0.00 -4.37 3.55 5.02 -1.26 -5.00 118.16 115.15 2nvt n LYS 117 Ca -0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.94 2nvt n LYS 117 Cb 0.67 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.56 2nvt n LYS 117 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2nvt s ARG 118 N 0.00 1.58 0.00 1.97 1.81 -1.26 -5.15 118.95 117.89 2nvt s ARG 118 Ca 0.00 -1.35 0.00 0.00 -1.72 0.00 0.00 55.73 52.66 2nvt s ARG 118 Cb 0.00 -1.96 0.00 0.00 -0.45 0.00 0.00 34.95 32.54 2nvt s ARG 118 CO 0.00 0.44 0.00 2.41 -0.68 0.00 0.00 175.30 177.47 2nvt n THR 119 N 0.64 0.00 -0.99 0.02 -1.04 -1.26 -5.22 114.28 106.44 2nvt n THR 119 Ca -0.15 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2nvt n THR 119 Cb 0.54 0.58 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 2nvt n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43