#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1x s GLU 2 N 0.00 4.79 0.81 1.64 2.12 -1.26 -5.05 118.70 121.75 1n1x s GLU 2 Ca 0.00 1.54 -0.11 0.00 0.36 0.00 0.00 54.97 56.75 1n1x s GLU 2 Cb 0.00 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.18 1n1x s GLU 2 CO 0.00 0.41 1.10 -1.54 -0.54 0.00 0.00 175.26 174.68 1n1x s SER 3 N -0.90 4.40 0.25 -1.70 1.04 -1.26 -4.85 113.70 110.68 1n1x s SER 3 Ca 0.43 1.33 -0.05 0.00 0.48 0.00 0.00 55.95 58.14 1n1x s SER 3 Cb -0.27 -2.06 0.29 0.00 0.10 0.00 0.00 66.02 64.08 1n1x s SER 3 CO 0.33 -2.03 1.84 0.00 0.98 0.00 0.00 173.24 174.36 1n1x h ALA 4 N -1.13 1.18 -0.64 5.32 0.00 -1.96 -1.11 119.26 120.93 1n1x h ALA 4 Ca -0.47 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1n1x h ALA 4 Cb 1.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1n1x h ALA 4 CO 0.59 0.61 0.19 0.00 0.00 0.00 0.00 179.25 180.64 1n1x h ALA 5 N 1.30 0.84 -0.38 0.00 0.00 -1.88 -1.01 119.26 118.13 1n1x h ALA 5 Ca 0.26 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1n1x h ALA 5 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1n1x h ALA 5 CO -0.03 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.54 1n1x h ALA 6 N 1.07 0.96 -0.63 0.00 0.00 -1.84 -2.29 119.26 116.53 1n1x h ALA 6 Ca 0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1n1x h ALA 6 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1n1x h ALA 6 CO -0.01 0.61 0.06 -0.22 0.00 0.00 0.00 179.25 179.69 1n1x h LYS 7 N 0.63 1.07 -0.47 0.00 3.64 -0.97 -1.46 116.57 119.02 1n1x h LYS 7 Ca 0.10 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1n1x h LYS 7 Cb 0.67 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1n1x h LYS 7 CO 0.05 1.00 0.17 0.35 -2.27 0.00 0.00 179.45 178.75 1n1x h PHE 8 N 0.99 0.73 -0.38 1.91 3.04 -0.93 -1.30 116.94 121.00 1n1x h PHE 8 Ca 0.19 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1n1x h PHE 8 Cb 0.48 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1n1x h PHE 8 CO 0.03 0.63 0.21 1.49 -2.02 0.00 0.00 178.31 178.65 1n1x h GLU 9 N 0.62 0.53 -0.60 1.11 4.57 -1.17 0.10 114.58 119.75 1n1x h GLU 9 Ca 0.15 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1n1x h GLU 9 Cb 0.23 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1n1x h GLU 9 CO -0.01 0.44 0.34 -0.09 -1.18 0.00 0.00 179.01 178.51 1n1x h ARG 10 N 0.48 0.83 0.03 1.92 2.43 -1.10 -2.08 114.38 116.88 1n1x h ARG 10 Ca 0.13 -0.09 -0.22 0.00 -0.81 0.00 0.00 59.98 58.99 1n1x h ARG 10 Cb 0.06 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1n1x h ARG 10 CO -0.02 0.62 -1.02 1.96 -1.51 0.00 0.00 179.97 180.00 1n1x h GLN 11 N 0.81 0.07 0.00 0.20 4.20 -1.12 -3.42 115.11 115.85 1n1x h GLN 11 Ca 0.21 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1n1x h GLN 11 Cb 0.03 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1n1x h GLN 11 CO -0.04 1.02 0.00 0.72 -0.67 0.00 0.00 178.83 179.87 1n1x n HIS 12 N -3.43 0.00 -4.00 2.96 8.25 0.34 -4.69 115.22 114.64 1n1x n HIS 12 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.09 1n1x n HIS 12 Cb 0.93 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.95 1n1x n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1n1x s MET 13 N -0.69 3.91 -0.43 -0.41 -1.94 -0.79 -0.01 119.30 118.96 1n1x s MET 13 Ca 0.00 -0.33 0.08 0.00 -1.71 0.00 0.00 55.69 53.73 1n1x s MET 13 Cb 0.00 -3.20 0.29 0.00 2.01 0.00 0.00 34.83 33.93 1n1x s MET 13 CO 0.00 0.32 0.81 -3.47 -0.01 0.00 0.00 175.02 172.68 1n1x n ASP 14 N 3.38 -1.05 -4.58 3.03 2.03 -0.09 -4.85 116.55 114.42 1n1x n ASP 14 Ca -0.17 -3.18 -0.50 0.00 0.52 0.00 0.00 54.79 51.47 1n1x n ASP 14 Cb 0.52 0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 41.48 1n1x n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1n1x n SER 15 N 0.93 2.77 0.00 1.67 7.64 -1.23 -4.15 113.62 121.25 1n1x n SER 15 Ca 0.15 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1n1x n SER 15 Cb 0.63 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1n1x n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n1x n GLY 16 N 5.43 0.23 0.00 0.23 0.00 -1.23 -4.96 105.19 104.89 1n1x n GLY 16 Ca 0.32 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1n1x n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n1x n SER 22 N 0.00 -0.90 0.33 1.61 3.41 -1.26 -4.92 113.62 111.89 1n1x n SER 22 Ca 0.00 0.00 0.22 0.00 -0.26 0.00 0.00 58.87 58.83 1n1x n SER 22 Cb 0.00 0.45 1.18 0.00 -0.26 0.00 0.00 64.21 65.59 1n1x n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1n1x h SER 23 N 0.00 0.00 -0.41 4.04 4.64 -2.01 -1.46 113.55 118.34 1n1x h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n1x h SER 23 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n1x h SER 23 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1n1x n ASN 24 N -3.13 2.70 -0.11 4.97 4.13 -1.26 -4.44 115.26 118.13 1n1x n ASN 24 Ca -0.03 -1.93 -0.07 0.00 1.68 0.00 0.00 54.58 54.23 1n1x n ASN 24 Cb 0.08 -0.27 -0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1n1x n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1n1x h TYR 25 N 3.19 -0.69 -0.81 3.10 3.20 -1.66 -1.79 116.97 121.51 1n1x h TYR 25 Ca 0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1n1x h TYR 25 Cb 0.72 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 1n1x h TYR 25 CO 0.27 -0.33 0.34 0.00 -1.64 0.00 0.00 178.16 176.80 1n1x h ASN 27 N 1.18 0.89 0.06 0.00 2.35 -1.66 -0.24 115.58 118.16 1n1x h ASN 27 Ca 0.27 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1n1x h ASN 27 Cb 0.20 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1n1x h ASN 27 CO -0.02 0.63 -0.03 0.25 -1.65 0.00 0.00 177.43 176.61 1n1x h LEU 28 N 1.05 -0.07 -0.58 1.61 5.85 -1.01 -3.34 115.31 118.82 1n1x h LEU 28 Ca 0.30 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 1n1x h LEU 28 Cb -0.08 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1n1x h LEU 28 CO -0.08 0.35 -0.20 0.24 -0.34 0.00 0.00 178.44 178.41 1n1x h MET 29 N -0.50 0.93 -4.31 1.25 2.86 -1.09 -3.42 114.93 110.65 1n1x h MET 29 Ca -0.01 -0.38 -0.35 0.00 -2.06 0.00 0.00 59.70 56.90 1n1x h MET 29 Cb 0.44 -0.04 0.06 0.00 0.06 0.00 0.00 31.60 32.12 1n1x h MET 29 CO 0.01 1.04 1.58 -1.33 1.06 0.00 0.00 176.91 179.27 1n1x n MET 30 N -4.12 0.56 -1.08 1.72 2.81 -0.11 -4.50 117.12 112.40 1n1x n MET 30 Ca 0.00 -1.02 -0.04 0.00 -1.81 0.00 0.00 57.70 54.83 1n1x n MET 30 Cb 0.44 -2.38 -0.02 0.00 -0.71 0.00 0.00 33.22 30.56 1n1x n MET 30 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1n1x n ARG 33 N 6.17 -1.89 -2.66 0.03 5.12 -1.26 -0.55 116.66 121.62 1n1x n ARG 33 Ca 0.30 0.62 -0.20 0.00 -1.93 0.00 0.00 57.85 56.63 1n1x n ARG 33 Cb 0.22 -5.01 0.01 0.00 -1.16 0.00 0.00 32.46 26.52 1n1x n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1n1x n LYS 34 N 0.28 -3.06 -0.47 5.56 4.76 -1.26 -4.78 118.16 119.20 1n1x n LYS 34 Ca -0.04 0.91 0.10 0.00 -2.87 0.00 0.00 58.31 56.41 1n1x n LYS 34 Cb 0.51 -5.59 0.32 0.00 -1.84 0.00 0.00 35.03 28.43 1n1x n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1n1x n MET 35 N -3.35 3.09 -0.47 1.97 2.81 0.29 -3.98 117.12 117.48 1n1x n MET 35 Ca -0.17 -2.55 0.07 0.00 -1.81 0.00 0.00 57.70 53.24 1n1x n MET 35 Cb 0.65 -1.70 0.17 0.00 -0.71 0.00 0.00 33.22 31.62 1n1x n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1n1x n THR 36 N 1.24 1.92 -3.61 2.03 -2.24 -1.19 -1.68 114.28 110.76 1n1x n THR 36 Ca 0.23 -2.71 -0.39 0.00 -2.27 0.00 0.00 64.05 58.92 1n1x n THR 36 Cb 0.71 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 1n1x n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1n1x s GLN 37 N -2.85 3.64 0.00 -0.78 -0.21 -1.26 -4.39 119.66 113.81 1n1x s GLN 37 Ca 0.35 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1n1x s GLN 37 Cb 0.33 -3.64 0.00 0.00 1.00 0.00 0.00 33.01 30.70 1n1x s GLN 37 CO -0.04 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 1n1x n GLY 38 N 5.04 2.49 3.68 3.09 0.00 -1.26 -4.90 105.19 113.34 1n1x n GLY 38 Ca -0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 1n1x n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n1x s LYS 39 N 0.00 1.12 -0.32 1.61 -2.85 -1.26 -5.07 119.74 112.97 1n1x s LYS 39 Ca 0.00 -0.57 -0.23 0.00 -1.00 0.00 0.00 55.97 54.17 1n1x s LYS 39 Cb 0.00 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1n1x s LYS 39 CO 0.00 -0.51 0.77 0.00 0.10 0.00 0.00 175.35 175.71 1n1x s LYS 41 N 2.96 4.14 0.31 0.00 2.20 -0.68 -4.88 119.74 123.79 1n1x s LYS 41 Ca 0.31 2.59 0.05 0.00 -0.36 0.00 0.00 55.97 58.56 1n1x s LYS 41 Cb -0.14 -3.49 0.50 0.00 -1.51 0.00 0.00 37.83 33.19 1n1x s LYS 41 CO 0.14 -0.82 1.75 -1.00 -0.36 0.00 0.00 175.35 175.06 1n1x h PRO 42 N 8.23 0.35 -3.25 4.03 0.13 -1.94 -3.43 132.00 136.11 1n1x h PRO 42 Ca -0.45 -0.13 -0.17 0.00 -0.87 0.00 0.00 66.00 64.38 1n1x h PRO 42 Cb 1.21 -0.02 -0.25 0.00 0.13 0.00 0.00 31.00 32.07 1n1x h PRO 42 CO 0.95 0.61 -0.47 0.08 -0.23 0.00 0.00 178.00 178.94 1n1x s VAL 43 N -4.42 0.01 -0.00 1.56 1.01 -1.26 -0.74 120.40 116.56 1n1x s VAL 43 Ca -0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1n1x s VAL 43 Cb 0.14 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 36.24 1n1x s VAL 43 CO 0.77 -0.05 0.50 0.21 0.00 0.00 0.00 175.10 176.53 1n1x s ASN 44 N -0.12 -0.43 -0.03 3.32 2.47 -0.01 -4.99 114.94 115.16 1n1x s ASN 44 Ca -0.02 0.30 0.05 0.00 0.42 0.00 0.00 52.86 53.62 1n1x s ASN 44 Cb -0.02 0.45 -0.01 0.00 -1.45 0.00 0.00 41.25 40.22 1n1x s ASN 44 CO 0.01 -0.61 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.69 1n1x s THR 45 N -1.76 1.58 0.00 -5.21 2.01 -1.26 -0.33 115.64 110.68 1n1x s THR 45 Ca -0.09 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.11 1n1x s THR 45 Cb -0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 1n1x s THR 45 CO 0.04 0.45 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.98 1n1x s PHE 46 N -0.24 2.87 -0.12 4.92 0.08 -0.30 -4.40 117.98 120.79 1n1x s PHE 46 Ca 0.02 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.03 1n1x s PHE 46 Cb -0.10 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1n1x s PHE 46 CO 0.01 0.36 -0.16 0.08 -0.10 0.00 0.00 175.22 175.42 1n1x s VAL 47 N -0.99 2.81 -0.59 -0.44 1.01 0.99 -1.56 120.40 121.64 1n1x s VAL 47 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1n1x s VAL 47 Cb -0.11 -2.15 0.48 0.00 0.00 0.00 0.00 36.38 34.59 1n1x s VAL 47 CO 0.07 0.54 1.90 1.41 0.00 0.00 0.00 175.10 179.02 1n1x n HIS 48 N 3.46 3.09 -4.17 5.22 -0.00 0.35 -0.91 115.22 122.26 1n1x n HIS 48 Ca -0.18 -2.76 -0.25 0.00 -0.00 0.00 0.00 57.72 54.52 1n1x n HIS 48 Cb 0.53 -1.23 -0.07 0.00 -0.00 0.00 0.00 29.99 29.21 1n1x n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1n1x s GLU 49 N -3.72 2.22 0.67 -0.41 0.41 -1.26 -3.52 118.70 113.08 1n1x s GLU 49 Ca 0.62 -1.91 -0.15 0.00 -0.41 0.00 0.00 54.97 53.11 1n1x s GLU 49 Cb 0.49 -1.95 0.01 0.00 -1.78 0.00 0.00 34.13 30.90 1n1x s GLU 49 CO 0.01 -0.18 1.14 -1.54 -0.49 0.00 0.00 175.26 174.20 1n1x s SER 50 N -3.93 4.89 0.26 -0.19 1.04 -1.26 -4.07 113.70 110.43 1n1x s SER 50 Ca 0.38 2.13 -0.05 0.00 0.48 0.00 0.00 55.95 58.89 1n1x s SER 50 Cb 0.03 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 63.89 1n1x s SER 50 CO 0.21 -1.78 1.93 0.25 0.98 0.00 0.00 173.24 174.82 1n1x h LEU 51 N 0.06 1.12 -0.66 2.42 5.85 -1.98 -1.86 115.31 120.25 1n1x h LEU 51 Ca -0.47 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1n1x h LEU 51 Cb 1.26 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1n1x h LEU 51 CO 0.53 0.79 0.41 0.00 -0.34 0.00 0.00 178.44 179.83 1n1x h ALA 52 N 1.40 0.87 -0.15 1.25 0.00 -1.99 0.15 119.26 120.78 1n1x h ALA 52 Ca 0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1n1x h ALA 52 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1n1x h ALA 52 CO -0.10 0.15 -0.24 -0.44 0.00 0.00 0.00 179.25 178.62 1n1x h ASP 53 N 0.79 0.27 -0.09 0.00 5.19 -1.73 -1.81 116.42 119.04 1n1x h ASP 53 Ca 0.27 -0.08 -0.18 0.00 -0.62 0.00 0.00 57.03 56.43 1n1x h ASP 53 Cb 0.05 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.49 1n1x h ASP 53 CO -0.12 0.52 -0.64 0.58 -3.12 0.00 0.00 179.24 176.46 1n1x h VAL 54 N 0.24 1.35 -0.14 -1.35 2.07 -0.78 -3.11 116.25 114.54 1n1x h VAL 54 Ca 0.04 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 1n1x h VAL 54 Cb 0.57 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1n1x h VAL 54 CO 0.04 0.59 0.08 0.11 0.02 0.00 0.00 177.57 178.41 1n1x h LYS 55 N 0.21 0.19 0.00 1.57 1.57 -0.52 -1.79 116.57 117.79 1n1x h LYS 55 Ca -0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1n1x h LYS 55 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1n1x h LYS 55 CO 0.13 0.14 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 1n1x h ALA 56 N 1.90 1.00 0.00 3.86 0.00 -1.25 -2.14 119.26 122.62 1n1x h ALA 56 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1n1x h ALA 56 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1n1x h ALA 56 CO -0.01 0.00 -0.23 0.28 0.00 0.00 0.00 179.25 179.29 1n1x h VAL 57 N 0.00 0.98 0.00 0.00 2.07 -1.37 -1.90 116.25 116.03 1n1x h VAL 57 Ca 0.00 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1n1x h VAL 57 Cb 0.23 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1n1x h VAL 57 CO 0.00 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1n1x n SER 59 N -1.47 1.90 0.00 0.00 3.41 -0.72 -5.02 113.62 111.71 1n1x n SER 59 Ca 0.01 -2.79 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 1n1x n SER 59 Cb 0.06 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1n1x n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n1x n GLN 60 N -1.11 3.14 -2.18 4.33 6.02 0.18 -5.03 117.38 122.73 1n1x n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1n1x n GLN 60 Cb 0.62 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.85 1n1x n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1n1x s LYS 61 N 4.83 4.15 0.25 -1.09 2.20 -1.09 -4.86 119.74 124.13 1n1x s LYS 61 Ca 0.00 1.91 -0.30 0.00 -0.36 0.00 0.00 55.97 57.23 1n1x s LYS 61 Cb 0.00 -3.91 -0.09 0.00 -1.51 0.00 0.00 37.83 32.32 1n1x s LYS 61 CO 0.00 -0.86 1.03 0.21 -0.36 0.00 0.00 175.35 175.37 1n1x s LYS 62 N 3.93 4.72 0.18 4.03 2.20 -1.26 -0.39 119.74 133.15 1n1x s LYS 62 Ca 0.66 1.66 -0.09 0.00 -0.36 0.00 0.00 55.97 57.84 1n1x s LYS 62 Cb -0.28 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1n1x s LYS 62 CO 0.24 0.32 0.30 0.14 -0.36 0.00 0.00 175.35 175.98 1n1x s VAL 63 N -1.02 0.05 0.29 4.02 -7.23 -0.37 -4.88 120.40 111.26 1n1x s VAL 63 Ca 0.44 -1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 58.94 1n1x s VAL 63 Cb -0.29 -1.97 -0.09 0.00 0.56 0.00 0.00 36.38 34.59 1n1x s VAL 63 CO 0.36 -0.22 0.82 0.42 -0.31 0.00 0.00 175.10 176.17 1n1x s THR 64 N -4.00 4.46 0.60 5.32 -4.23 -1.26 -3.52 115.64 113.01 1n1x s THR 64 Ca 0.20 1.42 -0.12 0.00 -1.18 0.00 0.00 61.69 62.01 1n1x s THR 64 Cb 0.03 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 1n1x s THR 64 CO 0.03 0.06 1.02 0.00 -0.54 0.00 0.00 174.62 175.19 1n1x h LYS 66 N -0.03 0.53 -0.05 0.00 1.57 -1.90 -0.48 116.57 116.21 1n1x h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1n1x h LYS 66 Cb 1.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1n1x h LYS 66 CO 0.61 0.35 0.00 0.27 -0.57 0.00 0.00 179.45 180.11 1n1x n ASN 67 N -4.47 0.70 0.00 0.86 6.94 -1.26 -4.91 115.26 113.11 1n1x n ASN 67 Ca 0.06 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.19 1n1x n ASN 67 Cb 0.18 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 1n1x n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1n1x n GLY 68 N 0.99 1.40 3.74 4.83 0.00 -0.19 -5.08 105.19 110.88 1n1x n GLY 68 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1n1x n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n1x s GLN 69 N -0.98 2.11 -0.06 1.61 -1.52 -1.26 -4.72 119.66 114.84 1n1x s GLN 69 Ca 0.00 1.37 0.12 0.00 -1.95 0.00 0.00 55.36 54.91 1n1x s GLN 69 Cb 0.00 -1.87 0.36 0.00 -0.22 0.00 0.00 33.01 31.28 1n1x s GLN 69 CO 0.00 -1.78 1.29 2.41 -0.25 0.00 0.00 175.29 176.96 1n1x n THR 70 N -3.31 1.42 -0.48 -0.19 -1.04 -1.26 -0.39 114.28 109.02 1n1x n THR 70 Ca 0.10 -1.30 -0.14 0.00 -2.04 0.00 0.00 64.05 60.67 1n1x n THR 70 Cb 0.52 0.25 0.07 0.00 -1.82 0.00 0.00 70.33 69.35 1n1x n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1n1x n ASN 71 N 0.11 4.84 -4.75 8.00 6.94 -1.26 -4.73 115.26 124.41 1n1x n ASN 71 Ca 0.14 -2.94 -0.28 0.00 -0.02 0.00 0.00 54.58 51.48 1n1x n ASN 71 Cb 0.57 -0.85 -0.07 0.00 -2.36 0.00 0.00 39.78 37.07 1n1x n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n1x s TYR 73 N -1.58 0.24 -0.11 0.00 1.51 -0.18 -1.24 117.35 115.99 1n1x s TYR 73 Ca 0.29 -0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1n1x s TYR 73 Cb -0.11 -0.16 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1n1x s TYR 73 CO 0.21 -0.04 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.46 1n1x s GLN 74 N -0.41 3.25 0.41 -0.62 0.74 0.48 -1.13 119.66 122.38 1n1x s GLN 74 Ca -0.03 -0.46 -0.26 0.00 0.05 0.00 0.00 55.36 54.66 1n1x s GLN 74 Cb -0.03 -2.84 -0.09 0.00 1.10 0.00 0.00 33.01 31.15 1n1x s GLN 74 CO -0.00 0.52 1.41 -1.54 -0.55 0.00 0.00 175.29 175.12 1n1x s SER 75 N -0.38 6.15 0.39 6.67 1.04 -0.12 -2.66 113.70 124.79 1n1x s SER 75 Ca 0.07 2.88 0.17 0.00 0.48 0.00 0.00 55.95 59.55 1n1x s SER 75 Cb -0.12 -2.65 0.80 0.00 0.10 0.00 0.00 66.02 64.14 1n1x s SER 75 CO 0.02 -0.99 1.82 0.07 0.98 0.00 0.00 173.24 175.14 1n1x h LYS 76 N 2.64 0.00 -5.84 4.02 2.10 -1.94 -3.45 116.57 114.10 1n1x h LYS 76 Ca -0.50 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.56 1n1x h LYS 76 Cb 1.25 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.45 1n1x h LYS 76 CO 0.62 0.35 -0.68 -1.12 -2.00 0.00 0.00 179.45 176.62 1n1x s SER 77 N -6.61 3.47 0.71 7.07 0.01 -1.26 -5.12 113.70 111.96 1n1x s SER 77 Ca -0.02 -1.19 -0.13 0.00 1.31 0.00 0.00 55.95 55.93 1n1x s SER 77 Cb 0.13 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 66.08 1n1x s SER 77 CO 0.69 -0.23 1.09 0.42 0.41 0.00 0.00 173.24 175.63 1n1x s THR 78 N -2.71 3.42 0.12 1.44 -4.23 -1.26 -4.55 115.64 107.87 1n1x s THR 78 Ca 0.32 0.55 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1n1x s THR 78 Cb 0.02 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1n1x s THR 78 CO 0.15 -0.52 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.58 1n1x s MET 79 N -4.55 0.95 -0.32 3.99 -1.94 0.77 -4.89 119.30 113.31 1n1x s MET 79 Ca 0.63 -1.34 -0.27 0.00 -1.71 0.00 0.00 55.69 53.00 1n1x s MET 79 Cb -0.18 -0.51 0.01 0.00 2.01 0.00 0.00 34.83 36.17 1n1x s MET 79 CO 0.49 0.06 0.99 1.03 -0.01 0.00 0.00 175.02 177.58 1n1x s ARG 80 N -3.49 4.03 0.18 2.03 0.52 -1.26 -1.97 118.95 119.00 1n1x s ARG 80 Ca 0.12 0.93 0.03 0.00 -0.52 0.00 0.00 55.73 56.29 1n1x s ARG 80 Cb 0.02 -3.73 -0.05 0.00 0.52 0.00 0.00 34.95 31.70 1n1x s ARG 80 CO -0.01 -0.84 -0.02 0.96 0.02 0.00 0.00 175.30 175.41 1n1x s ILE 81 N 3.45 0.84 -0.10 1.52 -4.36 -0.56 -0.50 121.20 121.49 1n1x s ILE 81 Ca 0.42 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1n1x s ILE 81 Cb -0.13 -2.10 0.02 0.00 1.25 0.00 0.00 42.46 41.50 1n1x s ILE 81 CO 0.14 -0.51 -0.09 -0.89 0.24 0.00 0.00 174.94 173.84 1n1x s THR 82 N -3.55 1.05 -0.11 8.37 2.01 -0.60 -1.06 115.64 121.74 1n1x s THR 82 Ca 0.23 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 1n1x s THR 82 Cb 0.05 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1n1x s THR 82 CO 0.04 0.36 0.30 -1.81 -0.69 0.00 0.00 174.62 172.82 1n1x s ASP 83 N 1.35 6.53 -0.18 3.53 1.01 0.45 -1.15 116.67 128.21 1n1x s ASP 83 Ca -0.02 0.63 -0.01 0.00 0.71 0.00 0.00 52.55 53.86 1n1x s ASP 83 Cb -0.14 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.61 1n1x s ASP 83 CO -0.04 0.20 -0.12 0.00 0.21 0.00 0.00 175.17 175.42 1n1x s ARG 85 N 1.01 1.45 0.38 0.00 0.52 -0.83 -0.83 118.95 120.65 1n1x s ARG 85 Ca -0.01 -0.45 -0.28 0.00 -0.52 0.00 0.00 55.73 54.47 1n1x s ARG 85 Cb -0.15 -1.27 -0.11 0.00 0.52 0.00 0.00 34.95 33.94 1n1x s ARG 85 CO -0.02 0.15 1.49 -2.00 0.02 0.00 0.00 175.30 174.94 1n1x s GLU 86 N 0.22 4.11 0.60 3.54 2.12 0.08 0.13 118.70 129.51 1n1x s GLU 86 Ca -0.06 2.57 -0.04 0.00 0.36 0.00 0.00 54.97 57.81 1n1x s GLU 86 Cb -0.11 -2.97 0.03 0.00 0.26 0.00 0.00 34.13 31.34 1n1x s GLU 86 CO 0.02 -0.53 0.88 0.95 -0.54 0.00 0.00 175.26 176.03 1n1x s THR 87 N -1.12 2.99 0.44 -1.70 -4.23 0.10 -4.76 115.64 107.37 1n1x s THR 87 Ca 0.53 -0.31 0.11 0.00 -1.18 0.00 0.00 61.69 60.83 1n1x s THR 87 Cb -0.46 -3.19 0.23 0.00 1.34 0.00 0.00 72.50 70.41 1n1x s THR 87 CO 0.63 -0.18 2.05 1.23 -0.54 0.00 0.00 174.62 177.81 1n1x h GLY 88 N -0.19 0.26 2.00 3.99 0.00 -1.94 -2.48 103.07 104.71 1n1x h GLY 88 Ca -0.44 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1n1x h GLY 88 CO 0.58 0.11 0.00 1.44 0.00 0.00 0.00 176.54 178.67 1n1x n SER 89 N -4.44 0.50 -4.75 0.19 7.64 -1.26 -4.86 113.62 106.64 1n1x n SER 89 Ca -0.00 0.55 -0.42 0.00 1.01 0.00 0.00 58.87 60.01 1n1x n SER 89 Cb 0.14 -0.68 -0.01 0.00 -1.01 0.00 0.00 64.21 62.64 1n1x n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1n1x n SER 90 N -1.97 3.75 -3.15 6.43 2.88 -0.94 -4.93 113.62 115.69 1n1x n SER 90 Ca 0.06 1.17 0.04 0.00 -1.33 0.00 0.00 58.87 58.80 1n1x n SER 90 Cb 0.37 -1.59 -0.01 0.00 -0.75 0.00 0.00 64.21 62.23 1n1x n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1n1x s LYS 91 N -0.98 0.56 0.31 -1.46 2.20 -0.83 -4.92 119.74 114.62 1n1x s LYS 91 Ca 0.61 0.93 -0.27 0.00 -0.36 0.00 0.00 55.97 56.87 1n1x s LYS 91 Cb -0.50 0.49 -0.14 0.00 -1.51 0.00 0.00 37.83 36.17 1n1x s LYS 91 CO 0.53 -0.69 0.92 0.98 -0.36 0.00 0.00 175.35 176.73 1n1x n TYR 92 N 5.43 0.93 0.33 4.03 9.36 -1.26 -0.36 117.16 135.62 1n1x n TYR 92 Ca -0.00 0.71 0.03 0.00 3.32 0.00 0.00 57.90 61.95 1n1x n TYR 92 Cb 0.51 -2.20 0.15 0.00 -0.63 0.00 0.00 39.34 37.18 1n1x n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1n1x n PRO 93 N 0.68 2.44 -3.33 2.98 -0.04 -1.26 -4.96 135.00 131.50 1n1x n PRO 93 Ca 0.10 -1.20 -0.38 0.00 -0.04 0.00 0.00 63.50 61.99 1n1x n PRO 93 Cb 0.33 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 1n1x n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n1x n ASN 94 N 0.25 5.05 -4.79 3.54 3.02 0.51 -5.06 115.26 117.79 1n1x n ASN 94 Ca 0.11 -3.29 -0.33 0.00 -0.03 0.00 0.00 54.58 51.03 1n1x n ASN 94 Cb 0.59 -1.08 0.01 0.00 -0.61 0.00 0.00 39.78 38.68 1n1x n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1x s ALA 96 N -2.21 -0.82 0.04 0.00 0.00 -1.26 -4.88 121.76 112.64 1n1x s ALA 96 Ca 0.67 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.67 1n1x s ALA 96 Cb -0.18 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1n1x s ALA 96 CO 0.33 -0.17 -0.11 0.71 0.00 0.00 0.00 175.76 176.52 1n1x s TYR 97 N 0.42 0.92 -0.20 0.00 1.51 -1.26 -0.72 117.35 118.02 1n1x s TYR 97 Ca -0.02 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.50 1n1x s TYR 97 Cb -0.04 -0.54 -0.05 0.00 -0.11 0.00 0.00 41.96 41.22 1n1x s TYR 97 CO -0.02 -0.01 0.26 0.21 -1.11 0.00 0.00 175.55 174.88 1n1x s LYS 98 N -1.36 4.17 -0.23 -0.62 2.20 0.12 -4.64 119.74 119.38 1n1x s LYS 98 Ca -0.04 -0.02 -0.14 0.00 -0.36 0.00 0.00 55.97 55.41 1n1x s LYS 98 Cb -0.09 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1n1x s LYS 98 CO 0.01 0.11 0.32 0.99 -0.36 0.00 0.00 175.35 176.42 1n1x s THR 99 N 0.88 5.25 -0.17 3.43 2.01 -1.26 -1.96 115.64 123.81 1n1x s THR 99 Ca 0.13 0.51 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1n1x s THR 99 Cb -0.13 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.78 1n1x s THR 99 CO 0.04 0.26 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.33 1n1x s THR 100 N 1.37 0.88 0.10 -0.82 2.01 -0.50 -5.00 115.64 113.68 1n1x s THR 100 Ca 0.15 -0.59 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 1n1x s THR 100 Cb -0.15 -1.18 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 1n1x s THR 100 CO 0.07 -0.00 0.69 -1.10 -0.69 0.00 0.00 174.62 173.59 1n1x s GLN 101 N 1.72 4.41 0.26 4.92 -0.21 -1.26 -0.41 119.66 129.09 1n1x s GLN 101 Ca -0.00 0.97 -0.15 0.00 0.02 0.00 0.00 55.36 56.20 1n1x s GLN 101 Cb -0.16 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.58 1n1x s GLN 101 CO -0.07 0.53 0.56 0.14 -2.12 0.00 0.00 175.29 174.33 1n1x s VAL 102 N -0.89 0.00 -0.26 1.09 -7.23 -0.23 -4.98 120.40 107.90 1n1x s VAL 102 Ca 0.33 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1n1x s VAL 102 Cb -0.21 -2.19 0.07 0.00 0.56 0.00 0.00 36.38 34.61 1n1x s VAL 102 CO 0.23 0.00 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.38 1n1x s GLU 103 N -3.89 1.59 0.18 4.82 2.02 -1.26 -1.50 118.70 120.66 1n1x s GLU 103 Ca 0.19 -1.19 -0.04 0.00 0.02 0.00 0.00 54.97 53.96 1n1x s GLU 103 Cb -0.02 -2.67 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1n1x s GLU 103 CO 0.09 -0.69 0.19 0.15 0.02 0.00 0.00 175.26 175.02 1n1x s LYS 104 N 1.30 1.18 0.51 1.61 1.02 -0.83 -4.83 119.74 119.69 1n1x s LYS 104 Ca -0.02 -1.45 -0.16 0.00 0.02 0.00 0.00 55.97 54.36 1n1x s LYS 104 Cb -0.19 0.31 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 1n1x s LYS 104 CO -0.08 -0.40 0.97 -1.01 -0.92 0.00 0.00 175.35 173.91 1n1x s HIS 105 N -4.08 3.45 0.12 3.18 3.76 -0.10 -0.16 115.29 121.45 1n1x s HIS 105 Ca 0.29 1.45 0.09 0.00 -0.15 0.00 0.00 55.06 56.74 1n1x s HIS 105 Cb 0.05 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 1n1x s HIS 105 CO 0.07 -0.35 -0.17 0.96 -0.85 0.00 0.00 174.74 174.40 1n1x s ILE 106 N -2.60 2.90 -0.11 0.60 -4.36 -1.26 0.01 121.20 116.39 1n1x s ILE 106 Ca 0.59 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 1n1x s ILE 106 Cb -0.10 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.29 1n1x s ILE 106 CO 0.31 0.10 -0.16 -0.63 0.24 0.00 0.00 174.94 174.80 1n1x s ILE 107 N -1.15 1.51 0.13 8.37 1.01 0.54 -0.95 121.20 130.66 1n1x s ILE 107 Ca 0.18 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1n1x s ILE 107 Cb -0.11 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1n1x s ILE 107 CO 0.10 0.44 -0.15 0.68 0.00 0.00 0.00 174.94 176.02 1n1x s VAL 108 N 0.94 1.41 0.09 2.92 -7.23 -0.28 -0.11 120.40 118.13 1n1x s VAL 108 Ca -0.08 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 1n1x s VAL 108 Cb -0.15 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1n1x s VAL 108 CO -0.01 -0.41 0.43 0.00 -0.31 0.00 0.00 175.10 174.80 1n1x s ALA 109 N -2.15 3.70 0.02 1.32 0.00 0.23 -1.01 121.76 123.87 1n1x s ALA 109 Ca 0.10 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.79 1n1x s ALA 109 Cb -0.05 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 1n1x s ALA 109 CO 0.04 0.55 -0.19 0.00 0.00 0.00 0.00 175.76 176.15 1n1x s GLY 111 N -0.82 0.11 0.00 0.00 0.00 -0.01 -4.85 107.32 101.76 1n1x s GLY 111 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1n1x s GLY 111 CO 0.01 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.45 1n1x n GLY 112 N -0.44 -0.50 2.80 0.20 0.00 -1.26 -1.40 105.19 104.59 1n1x n GLY 112 Ca -0.03 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1n1x n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n1x s LYS 113 N -1.45 0.96 0.66 1.61 -0.14 -1.26 -1.92 119.74 118.21 1n1x s LYS 113 Ca 0.00 -0.76 -0.16 0.00 -1.36 0.00 0.00 55.97 53.69 1n1x s LYS 113 Cb 0.00 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 1n1x s LYS 113 CO 0.00 -0.71 1.16 -1.25 -0.76 0.00 0.00 175.35 173.79 1n1x s PRO 114 N 1.65 2.66 -0.15 -1.68 0.04 -1.26 -5.08 135.00 131.17 1n1x s PRO 114 Ca 0.00 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 1n1x s PRO 114 Cb -0.18 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1n1x s PRO 114 CO -0.11 -1.41 1.58 0.45 0.04 0.00 0.00 177.00 177.55 1n1x s SER 115 N -2.14 6.57 0.22 6.66 0.15 -0.81 -4.87 113.70 119.48 1n1x s SER 115 Ca 0.72 1.87 0.04 0.00 0.70 0.00 0.00 55.95 59.28 1n1x s SER 115 Cb -0.25 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.47 1n1x s SER 115 CO 0.40 -1.06 -0.03 0.68 1.20 0.00 0.00 173.24 174.43 1n1x s VAL 116 N 4.53 1.11 0.19 4.45 -7.23 -0.49 -4.82 120.40 118.14 1n1x s VAL 116 Ca 0.70 -2.05 -0.32 0.00 -1.81 0.00 0.00 61.98 58.51 1n1x s VAL 116 Cb -0.28 -2.27 -0.11 0.00 0.56 0.00 0.00 36.38 34.29 1n1x s VAL 116 CO 0.27 -0.39 1.62 -2.84 -0.31 0.00 0.00 175.10 173.45 1n1x s PRO 117 N -3.83 4.18 0.00 4.82 0.02 -1.26 -0.83 135.00 138.11 1n1x s PRO 117 Ca 0.27 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1n1x s PRO 117 Cb 0.05 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1n1x s PRO 117 CO 0.08 -0.65 0.56 1.33 -0.33 0.00 0.00 177.00 177.98 1n1x n VAL 118 N 3.87 0.21 -3.64 3.83 0.24 0.97 -4.47 118.33 119.34 1n1x n VAL 118 Ca 0.14 -0.54 -0.07 0.00 -2.04 0.00 0.00 64.34 61.84 1n1x n VAL 118 Cb 0.37 0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 33.67 1n1x n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n1x s HIS 119 N -0.21 -0.64 -0.38 6.34 5.65 -1.19 -4.77 115.29 120.09 1n1x s HIS 119 Ca 0.00 1.39 -0.23 0.00 0.25 0.00 0.00 55.06 56.48 1n1x s HIS 119 Cb 0.00 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.81 1n1x s HIS 119 CO 0.00 -0.32 0.76 0.12 -0.65 0.00 0.00 174.74 174.66 1n1x s PHE 120 N 0.93 3.10 -0.11 3.88 2.19 -1.26 -0.60 117.98 126.10 1n1x s PHE 120 Ca -0.04 0.45 -0.00 0.00 0.33 0.00 0.00 56.93 57.67 1n1x s PHE 120 Cb -0.04 -3.41 -0.25 0.00 -1.31 0.00 0.00 43.02 38.01 1n1x s PHE 120 CO -0.11 -0.76 0.39 -3.47 1.83 0.00 0.00 175.22 173.10 1n1x n ASP 121 N 6.42 1.73 -3.60 6.13 2.03 0.84 -4.96 116.55 125.14 1n1x n ASP 121 Ca 0.02 0.23 0.01 0.00 0.52 0.00 0.00 54.79 55.58 1n1x n ASP 121 Cb 0.48 -0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 40.31 1n1x n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1n1x s ALA 122 N -2.56 -2.32 0.06 -1.67 0.00 -0.92 -4.89 121.76 109.45 1n1x s ALA 122 Ca -0.18 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.01 1n1x s ALA 122 Cb 0.07 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1n1x s ALA 122 CO 0.77 -0.90 -0.22 -1.54 0.00 0.00 0.00 175.76 173.87 1n1x s SER 123 N -2.70 2.62 0.00 0.00 1.04 -1.26 -0.34 113.70 113.05 1n1x s SER 123 Ca 0.13 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1n1x s SER 123 Cb 0.04 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1n1x s SER 123 CO -0.05 0.15 0.03 0.55 0.98 0.00 0.00 173.24 174.90