#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n13 s MET 55 N 0.00 3.77 0.54 0.38 -2.45 -0.12 -4.93 119.30 116.48 1n13 s MET 55 Ca 0.00 0.23 -0.21 0.00 -1.25 0.00 0.00 55.69 54.46 1n13 s MET 55 Cb 0.00 -3.79 -0.07 0.00 1.25 0.00 0.00 34.83 32.23 1n13 s MET 55 CO 0.00 -0.73 1.02 -2.30 1.05 0.00 0.00 175.02 174.06 1n13 n PRO 56 N 6.14 1.15 -1.70 4.11 -0.02 -1.26 -0.75 135.00 142.67 1n13 n PRO 56 Ca 0.01 0.43 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 1n13 n PRO 56 Cb 0.48 -2.18 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1n13 n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n13 n PRO 57 N -0.63 1.62 -0.46 0.52 -0.02 -1.26 -1.79 135.00 132.98 1n13 n PRO 57 Ca 0.12 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1n13 n PRO 57 Cb 0.45 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1n13 n PRO 57 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1n13 n GLU 58 N -0.57 0.00 -1.74 -0.52 0.28 -1.26 -4.98 120.64 111.86 1n13 n GLU 58 Ca 0.10 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.77 1n13 n GLU 58 Cb 0.43 -3.08 0.04 0.00 1.43 0.00 0.00 31.44 30.27 1n13 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n13 s ALA 59 N -2.44 2.53 0.01 -1.84 0.00 -0.74 -5.05 121.76 114.24 1n13 s ALA 59 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.44 1n13 s ALA 59 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1n13 s ALA 59 CO 0.00 -1.22 -0.22 -2.00 0.00 0.00 0.00 175.76 172.33 1n13 s GLU 60 N -4.32 1.60 -0.26 0.00 2.12 -1.26 -5.00 118.70 111.58 1n13 s GLU 60 Ca 0.64 -0.87 -0.27 0.00 0.36 0.00 0.00 54.97 54.83 1n13 s GLU 60 Cb -0.18 -1.63 0.01 0.00 0.26 0.00 0.00 34.13 32.58 1n13 s GLU 60 CO 0.44 0.43 0.97 0.42 -0.54 0.00 0.00 175.26 176.98 1n13 s ILE 61 N -0.65 4.69 0.15 -3.70 1.01 -1.26 -5.01 121.20 116.43 1n13 s ILE 61 Ca 0.08 1.76 0.01 0.00 0.00 0.00 0.00 60.65 62.51 1n13 s ILE 61 Cb -0.09 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 1n13 s ILE 61 CO 0.01 -0.23 -0.00 0.68 0.00 0.00 0.00 174.94 175.39 1n13 s VAL 62 N 3.19 0.60 0.55 2.92 -7.23 -1.26 -5.14 120.40 114.04 1n13 s VAL 62 Ca 0.41 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.42 1n13 s VAL 62 Cb -0.14 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1n13 s VAL 62 CO 0.09 -0.55 1.20 -2.16 -0.31 0.00 0.00 175.10 173.36 1n13 s PRO 63 N -3.92 3.22 -0.30 4.82 0.04 -1.26 -4.85 135.00 132.75 1n13 s PRO 63 Ca 0.21 1.80 -0.41 0.00 0.04 0.00 0.00 61.00 62.65 1n13 s PRO 63 Cb 0.06 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 1n13 s PRO 63 CO 0.02 -1.00 1.73 -0.11 0.04 0.00 0.00 177.00 177.67 1n13 n LEU 64 N -1.28 2.24 -4.71 -3.56 7.94 -1.26 -4.93 117.00 111.44 1n13 n LEU 64 Ca 0.12 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.81 1n13 n LEU 64 Cb 0.49 -1.11 0.19 0.00 0.53 0.00 0.00 43.42 43.52 1n13 n LEU 64 CO 0.45 -0.48 0.68 -2.84 -1.11 0.00 0.00 177.39 174.09 1n13 s PRO 65 N 3.47 0.13 -0.55 1.96 0.02 -1.26 -4.95 135.00 133.82 1n13 s PRO 65 Ca 0.99 0.17 -0.28 0.00 0.02 0.00 0.00 61.00 61.90 1n13 s PRO 65 Cb -1.12 -1.73 0.03 0.00 0.02 0.00 0.00 34.50 31.70 1n13 s PRO 65 CO 0.68 -2.86 1.13 0.15 -0.33 0.00 0.00 177.00 175.76 1n13 s LYS 66 N -5.29 3.53 -0.12 5.54 -0.14 -1.26 -5.00 119.74 117.01 1n13 s LYS 66 Ca 0.67 0.23 -0.16 0.00 -1.36 0.00 0.00 55.97 55.36 1n13 s LYS 66 Cb -0.13 -3.99 -0.05 0.00 -1.68 0.00 0.00 37.83 31.98 1n13 s LYS 66 CO 0.55 -1.56 0.39 -0.51 -0.76 0.00 0.00 175.35 173.47 1n13 s LEU 67 N 4.62 4.30 0.31 3.17 1.43 -1.26 -5.05 118.68 126.19 1n13 s LEU 67 Ca 0.42 0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1n13 s LEU 67 Cb -0.08 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 1n13 s LEU 67 CO 0.26 0.09 1.43 -2.84 0.23 0.00 0.00 176.35 175.52 1n13 s PRO 68 N 0.28 4.24 0.19 1.29 0.02 -1.26 -4.90 135.00 134.86 1n13 s PRO 68 Ca 0.22 2.37 -0.32 0.00 0.02 0.00 0.00 61.00 63.29 1n13 s PRO 68 Cb -0.15 -3.05 -0.12 0.00 0.02 0.00 0.00 34.50 31.20 1n13 s PRO 68 CO 0.08 -0.40 1.70 -1.33 -0.33 0.00 0.00 177.00 176.72 1n13 n MET 69 N 1.40 2.64 -0.55 5.54 2.81 -1.26 -1.66 117.12 126.05 1n13 n MET 69 Ca 0.03 0.95 0.00 0.00 -1.81 0.00 0.00 57.70 56.88 1n13 n MET 69 Cb 0.40 -2.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.13 1n13 n MET 69 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n13 n GLY 70 N 3.86 0.84 3.75 3.03 0.00 -1.26 -5.04 105.19 110.37 1n13 n GLY 70 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1n13 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n13 s ALA 71 N -3.13 2.96 -0.78 4.61 0.00 -0.66 -4.92 121.76 119.84 1n13 s ALA 71 Ca 0.00 1.40 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 1n13 s ALA 71 Cb 0.00 -3.58 0.11 0.00 0.00 0.00 0.00 23.12 19.65 1n13 s ALA 71 CO 0.00 -1.34 0.98 -0.51 0.00 0.00 0.00 175.76 174.88 1n13 s LEU 72 N -3.27 5.01 -0.34 0.00 1.43 -1.26 -5.01 118.68 115.24 1n13 s LEU 72 Ca 0.68 -1.64 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 1n13 s LEU 72 Cb -0.42 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 1n13 s LEU 72 CO 0.51 -1.16 0.34 -0.69 0.23 0.00 0.00 176.35 175.58 1n13 s VAL 73 N 2.97 5.19 0.04 -1.59 1.01 -1.26 -5.04 120.40 121.72 1n13 s VAL 73 Ca 0.25 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1n13 s VAL 73 Cb -0.12 -3.80 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 1n13 s VAL 73 CO -0.00 -0.08 1.71 -2.84 0.00 0.00 0.00 175.10 173.89 1n13 s PRO 74 N 1.97 4.18 -0.03 2.72 0.02 -1.25 -4.89 135.00 137.72 1n13 s PRO 74 Ca 0.11 2.36 -0.02 0.00 0.02 0.00 0.00 61.00 63.47 1n13 s PRO 74 Cb -0.17 -3.76 0.02 0.00 0.02 0.00 0.00 34.50 30.61 1n13 s PRO 74 CO 0.11 -0.80 0.07 0.99 -0.33 0.00 0.00 177.00 177.05 1n13 s THR 75 N 3.21 -0.03 -0.17 0.99 2.01 -1.26 -0.73 115.64 119.66 1n13 s THR 75 Ca 0.76 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.76 1n13 s THR 75 Cb -0.39 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 1n13 s THR 75 CO 0.33 0.05 0.22 0.00 -0.69 0.00 0.00 174.62 174.53 1n13 s ALA 76 N 0.66 3.65 0.10 7.40 0.00 -0.57 -4.95 121.76 128.05 1n13 s ALA 76 Ca -0.05 -0.56 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1n13 s ALA 76 Cb -0.07 -2.28 0.03 0.00 0.00 0.00 0.00 23.12 20.79 1n13 s ALA 76 CO -0.02 0.15 0.34 1.52 0.00 0.00 0.00 175.76 177.75 1n13 s TYR 77 N 0.33 -0.12 0.00 0.00 -0.85 -1.26 -0.47 117.35 114.98 1n13 s TYR 77 Ca 0.13 -0.18 0.04 0.00 -0.52 0.00 0.00 57.07 56.53 1n13 s TYR 77 Cb -0.12 0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.38 1n13 s TYR 77 CO 0.02 -0.64 -0.12 0.20 -1.52 0.00 0.00 175.55 173.49 1n13 s GLY 78 N -2.68 0.58 0.11 5.49 0.00 -0.33 -4.93 107.32 105.56 1n13 s GLY 78 Ca 0.02 -0.55 -0.14 0.00 0.00 0.00 0.00 44.72 44.06 1n13 s GLY 78 CO -0.10 -0.48 0.33 -2.52 0.00 0.00 0.00 173.10 170.33 1n13 s TYR 79 N -0.39 -0.09 -0.10 1.90 -0.85 -1.26 -1.49 117.35 115.06 1n13 s TYR 79 Ca 0.03 -0.25 -0.09 0.00 -0.52 0.00 0.00 57.07 56.25 1n13 s TYR 79 Cb -0.05 0.16 0.03 0.00 0.38 0.00 0.00 41.96 42.48 1n13 s TYR 79 CO -0.00 -0.65 0.27 -1.50 -1.52 0.00 0.00 175.55 172.15 1n13 s ILE 80 N -3.76 -0.00 -0.04 -3.49 2.07 -0.67 -4.87 121.20 110.43 1n13 s ILE 80 Ca 0.03 0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.35 1n13 s ILE 80 Cb 0.03 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 1n13 s ILE 80 CO -0.11 0.01 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.09 1n13 s ILE 81 N 0.29 1.67 0.00 2.00 1.01 -1.26 -1.51 121.20 123.40 1n13 s ILE 81 Ca -0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1n13 s ILE 81 Cb -0.03 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1n13 s ILE 81 CO -0.01 0.47 0.03 -0.55 0.00 0.00 0.00 174.94 174.88 1n13 s SER 82 N -0.23 0.09 -0.16 3.58 0.15 -0.63 -5.01 113.70 111.50 1n13 s SER 82 Ca 0.01 -0.21 0.18 0.00 0.70 0.00 0.00 55.95 56.63 1n13 s SER 82 Cb -0.11 0.11 0.40 0.00 -1.71 0.00 0.00 66.02 64.72 1n13 s SER 82 CO 0.01 -0.19 1.28 -0.90 1.20 0.00 0.00 173.24 174.64 1n13 n ASP 83 N 2.19 3.01 -4.43 5.45 5.68 -1.26 -1.38 116.55 125.81 1n13 n ASP 83 Ca -0.19 -3.10 -0.44 0.00 -0.50 0.00 0.00 54.79 50.57 1n13 n ASP 83 Cb 0.57 -0.49 -0.07 0.00 -1.14 0.00 0.00 41.12 40.00 1n13 n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1n13 s VAL 84 N -2.88 4.98 0.14 2.12 1.01 -1.26 -4.80 120.40 119.71 1n13 s VAL 84 Ca 0.37 -0.63 -0.35 0.00 0.00 0.00 0.00 61.98 61.37 1n13 s VAL 84 Cb 0.31 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.31 1n13 s VAL 84 CO 0.05 -0.72 1.47 -2.65 0.00 0.00 0.00 175.10 173.25 1n13 n PRO 85 N 5.88 1.75 0.00 2.72 -0.02 -1.26 -1.37 135.00 142.70 1n13 n PRO 85 Ca -0.08 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1n13 n PRO 85 Cb 0.45 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1n13 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n13 n GLY 86 N 3.00 2.09 3.73 -1.23 0.00 0.93 -4.99 105.19 108.71 1n13 n GLY 86 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1n13 n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n13 s GLU 87 N -0.36 4.49 -0.22 1.61 2.12 -0.47 -4.69 118.70 121.18 1n13 s GLU 87 Ca 0.00 1.84 -0.15 0.00 0.36 0.00 0.00 54.97 57.02 1n13 s GLU 87 Cb 0.00 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1n13 s GLU 87 CO 0.00 -0.10 0.37 0.99 -0.54 0.00 0.00 175.26 175.97 1n13 s THR 88 N 0.14 5.21 0.09 -1.70 2.01 -1.26 -0.89 115.64 119.24 1n13 s THR 88 Ca 0.54 0.62 0.09 0.00 0.31 0.00 0.00 61.69 63.24 1n13 s THR 88 Cb -0.32 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1n13 s THR 88 CO 0.35 0.24 -0.24 0.27 -0.69 0.00 0.00 174.62 174.55 1n13 s ILE 89 N 1.48 1.93 0.05 1.82 -4.36 0.41 -2.84 121.20 119.69 1n13 s ILE 89 Ca 0.17 -1.50 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 1n13 s ILE 89 Cb -0.15 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 1n13 s ILE 89 CO 0.08 0.12 0.00 -0.94 0.24 0.00 0.00 174.94 174.44 1n13 s SER 90 N -1.66 0.41 0.00 4.36 1.04 -0.44 0.29 113.70 117.70 1n13 s SER 90 Ca 0.10 -0.89 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 1n13 s SER 90 Cb -0.10 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1n13 s SER 90 CO 0.04 -0.59 0.04 0.00 0.98 0.00 0.00 173.24 173.71 1n13 s ALA 91 N -3.65 -0.09 0.06 5.32 0.00 -0.65 -1.61 121.76 121.14 1n13 s ALA 91 Ca 0.04 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 1n13 s ALA 91 Cb 0.06 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1n13 s ALA 91 CO -0.09 -0.14 0.33 0.00 0.00 0.00 0.00 175.76 175.86 1n13 s ALA 92 N -1.04 -0.74 0.01 0.00 0.00 0.78 -1.36 121.76 119.41 1n13 s ALA 92 Ca -0.11 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1n13 s ALA 92 Cb -0.07 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.42 1n13 s ALA 92 CO 0.00 -0.46 -0.06 0.42 0.00 0.00 0.00 175.76 175.66 1n13 s ILE 93 N -2.78 0.45 0.04 0.00 -1.09 -0.25 -1.13 121.20 116.45 1n13 s ILE 93 Ca -0.03 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1n13 s ILE 93 Cb -0.00 -0.44 -0.03 0.00 -1.58 0.00 0.00 42.46 40.42 1n13 s ILE 93 CO -0.05 -0.06 -0.06 -0.94 -1.23 0.00 0.00 174.94 172.59 1n13 s SER 94 N -0.65 0.72 -0.17 3.58 1.04 -0.34 -1.31 113.70 116.58 1n13 s SER 94 Ca -0.02 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 1n13 s SER 94 Cb -0.05 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.18 1n13 s SER 94 CO 0.00 -0.27 0.00 -0.69 0.98 0.00 0.00 173.24 173.27 1n13 s VAL 95 N -1.70 0.73 -0.19 5.02 1.01 0.72 -1.05 120.40 124.94 1n13 s VAL 95 Ca -0.09 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 1n13 s VAL 95 Cb -0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1n13 s VAL 95 CO -0.01 -0.05 0.75 0.00 0.00 0.00 0.00 175.10 175.80 1n13 s ALA 96 N 1.78 3.55 -0.18 5.51 0.00 0.56 -1.40 121.76 131.58 1n13 s ALA 96 Ca -0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.76 1n13 s ALA 96 Cb -0.16 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1n13 s ALA 96 CO -0.07 -0.66 0.10 0.42 0.00 0.00 0.00 175.76 175.54 1n13 s ILE 97 N 2.18 5.10 0.49 0.00 1.01 -0.06 -1.10 121.20 128.82 1n13 s ILE 97 Ca 0.34 0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.88 1n13 s ILE 97 Cb -0.16 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 1n13 s ILE 97 CO 0.11 0.47 0.99 -2.16 0.00 0.00 0.00 174.94 174.36 1n13 s PRO 98 N 0.17 3.94 0.09 2.79 0.04 -1.26 -0.19 135.00 140.58 1n13 s PRO 98 Ca 0.07 1.14 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 1n13 s PRO 98 Cb -0.12 -2.13 -0.16 0.00 0.04 0.00 0.00 34.50 32.13 1n13 s PRO 98 CO -0.00 -0.29 1.29 -0.22 0.04 0.00 0.00 177.00 177.82 1n13 h LYS 99 N 1.37 0.75 -6.21 4.56 3.64 -1.59 -3.41 116.57 115.67 1n13 h LYS 99 Ca -0.48 -0.61 -0.60 0.00 -1.27 0.00 0.00 60.65 57.69 1n13 h LYS 99 Cb 1.20 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 33.04 1n13 h LYS 99 CO 0.60 1.22 0.62 0.34 -2.27 0.00 0.00 179.45 179.97 1n13 s ASP 100 N -7.03 6.53 0.00 4.20 -1.08 -1.26 -4.92 116.67 113.12 1n13 s ASP 100 Ca -0.11 0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.24 1n13 s ASP 100 Cb 0.08 -2.46 0.48 0.00 -1.46 0.00 0.00 42.92 39.56 1n13 s ASP 100 CO 0.89 -1.05 1.31 0.29 0.52 0.00 0.00 175.17 177.13 1n13 n LYS 101 N 7.20 0.05 0.14 4.34 4.76 -1.26 -1.70 118.16 131.69 1n13 n LYS 101 Ca 0.07 0.28 0.13 0.00 -2.87 0.00 0.00 58.31 55.91 1n13 n LYS 101 Cb 0.48 -1.50 0.33 0.00 -1.84 0.00 0.00 35.03 32.51 1n13 n LYS 101 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1n13 h SER 102 N 0.00 0.00 -2.60 4.39 4.64 -1.96 -3.34 113.55 114.68 1n13 h SER 102 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1n13 h SER 102 Cb 0.16 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.29 1n13 h SER 102 CO 0.00 0.00 -0.04 -0.76 -0.87 0.00 0.00 176.83 175.16 1n13 s LEU 103 N -5.10 3.35 0.42 5.97 1.43 -0.69 -4.85 118.68 119.22 1n13 s LEU 103 Ca 0.09 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1n13 s LEU 103 Cb 0.10 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1n13 s LEU 103 CO 0.62 -1.05 0.59 0.00 0.23 0.00 0.00 176.35 176.74 1n13 s GLY 105 N -4.27 1.62 -0.18 0.00 0.00 0.07 -4.42 107.32 100.14 1n13 s GLY 105 Ca 0.50 -0.81 -0.02 0.00 0.00 0.00 0.00 44.72 44.39 1n13 s GLY 105 CO 0.34 -0.75 -0.09 -2.27 0.00 0.00 0.00 173.10 170.34 1n13 s LEU 106 N -3.75 2.78 -0.19 0.66 2.96 -0.26 -0.95 118.68 119.92 1n13 s LEU 106 Ca 0.40 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1n13 s LEU 106 Cb -0.10 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 1n13 s LEU 106 CO 0.32 0.06 0.10 -0.63 -1.32 0.00 0.00 176.35 174.87 1n13 s ILE 107 N 1.02 5.10 0.06 6.68 1.01 -1.26 -0.32 121.20 133.48 1n13 s ILE 107 Ca -0.00 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1n13 s ILE 107 Cb -0.15 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1n13 s ILE 107 CO -0.01 0.45 -0.21 -0.04 0.00 0.00 0.00 174.94 175.13 1n13 s MET 108 N 0.40 1.32 0.08 2.79 -1.94 -0.21 -4.73 119.30 117.01 1n13 s MET 108 Ca 0.06 -0.99 0.07 0.00 -1.71 0.00 0.00 55.69 53.12 1n13 s MET 108 Cb -0.12 -1.47 -0.03 0.00 2.01 0.00 0.00 34.83 35.22 1n13 s MET 108 CO -0.01 0.37 -0.19 -1.83 -0.01 0.00 0.00 175.02 173.35 1n13 s GLU 109 N -1.34 1.09 -0.04 2.03 1.03 -1.26 -1.19 118.70 119.02 1n13 s GLU 109 Ca 0.07 -1.05 -0.09 0.00 0.03 0.00 0.00 54.97 53.93 1n13 s GLU 109 Cb -0.09 -1.26 0.01 0.00 -0.80 0.00 0.00 34.13 31.99 1n13 s GLU 109 CO 0.02 0.30 0.22 -0.47 -1.33 0.00 0.00 175.26 174.00 1n13 s TYR 110 N -1.09 -0.13 -0.02 4.83 5.04 -0.28 -4.98 117.35 120.73 1n13 s TYR 110 Ca 0.05 0.25 -0.12 0.00 -2.44 0.00 0.00 57.07 54.81 1n13 s TYR 110 Cb -0.10 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.27 1n13 s TYR 110 CO 0.03 -0.25 0.25 -1.83 -1.34 0.00 0.00 175.55 172.41 1n13 s GLU 111 N -0.79 0.56 0.00 4.97 4.04 -1.26 -0.15 118.70 126.07 1n13 s GLU 111 Ca -0.09 -0.19 0.00 0.00 0.04 0.00 0.00 54.97 54.73 1n13 s GLU 111 Cb -0.05 0.25 0.00 0.00 0.02 0.00 0.00 34.13 34.35 1n13 s GLU 111 CO 0.02 -0.14 0.00 0.41 -1.84 0.00 0.00 175.26 173.70 1n13 n GLY 112 N 1.53 0.16 3.47 -3.83 0.00 -0.63 -5.00 105.19 100.89 1n13 n GLY 112 Ca -0.21 -0.87 -0.44 0.00 0.00 0.00 0.00 46.02 44.50 1n13 n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n13 n LYS 113 N -0.06 3.33 -3.23 1.61 5.02 -1.26 -1.33 118.16 122.25 1n13 n LYS 113 Ca 0.00 -3.70 -0.08 0.00 -2.02 0.00 0.00 58.31 52.51 1n13 n LYS 113 Cb 0.00 -3.15 0.01 0.00 -0.02 0.00 0.00 35.03 31.87 1n13 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n13 s SER 115 N -2.62 5.27 0.23 0.00 1.04 -1.26 -3.50 113.70 112.86 1n13 s SER 115 Ca 0.15 0.77 -0.07 0.00 0.48 0.00 0.00 55.95 57.29 1n13 s SER 115 Cb -0.03 -1.58 0.22 0.00 0.10 0.00 0.00 66.02 64.72 1n13 s SER 115 CO 0.11 -1.34 1.87 0.50 0.98 0.00 0.00 173.24 175.36 1n13 h LYS 116 N -0.48 1.27 -0.57 4.02 3.64 -1.91 -1.69 116.57 120.85 1n13 h LYS 116 Ca -0.45 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 58.75 1n13 h LYS 116 Cb 1.28 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1n13 h LYS 116 CO 0.62 0.92 0.21 0.87 -2.27 0.00 0.00 179.45 179.79 1n13 h LYS 117 N 1.28 0.87 -0.46 1.90 1.57 -1.96 -1.20 116.57 118.58 1n13 h LYS 117 Ca 0.33 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1n13 h LYS 117 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1n13 h LYS 117 CO -0.06 0.77 -0.18 1.49 -0.57 0.00 0.00 179.45 180.90 1n13 h GLU 118 N 0.80 0.93 -0.36 3.15 4.81 -1.89 -1.82 114.58 120.20 1n13 h GLU 118 Ca 0.19 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1n13 h GLU 118 Cb 0.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1n13 h GLU 118 CO -0.01 1.05 0.16 0.00 -0.73 0.00 0.00 179.01 179.48 1n13 h ALA 119 N 0.85 0.46 -0.48 2.92 0.00 -1.16 -1.34 119.26 120.51 1n13 h ALA 119 Ca 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1n13 h ALA 119 Cb 0.75 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1n13 h ALA 119 CO 0.06 0.04 -0.07 1.49 0.00 0.00 0.00 179.25 180.76 1n13 h GLU 120 N 0.43 0.86 -0.51 0.00 4.81 -1.17 -1.19 114.58 117.82 1n13 h GLU 120 Ca 0.12 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1n13 h GLU 120 Cb 0.14 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1n13 h GLU 120 CO -0.01 0.91 0.13 -0.22 -0.73 0.00 0.00 179.01 179.08 1n13 h LYS 121 N 0.78 0.82 -0.23 1.92 3.64 -1.16 -2.03 116.57 120.31 1n13 h LYS 121 Ca 0.14 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1n13 h LYS 121 Cb 0.57 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1n13 h LYS 121 CO 0.03 0.78 -0.00 1.15 -2.27 0.00 0.00 179.45 179.15 1n13 h THR 122 N 0.71 1.26 -0.16 1.00 2.02 -1.03 -2.34 112.91 114.37 1n13 h THR 122 Ca 0.16 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 1n13 h THR 122 Cb 0.33 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1n13 h THR 122 CO 0.00 0.28 -0.24 1.62 0.37 0.00 0.00 175.52 177.55 1n13 h VAL 123 N 0.17 1.24 -0.42 3.16 3.04 -1.18 -0.82 116.25 121.43 1n13 h VAL 123 Ca 0.06 -1.11 -0.15 0.00 -1.01 0.00 0.00 66.70 64.50 1n13 h VAL 123 Cb 0.41 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1n13 h VAL 123 CO 0.01 0.34 -0.32 0.03 -1.01 0.00 0.00 177.57 176.62 1n13 h ARG 124 N 0.25 0.96 -0.54 4.17 3.08 -1.31 -2.39 114.38 118.60 1n13 h ARG 124 Ca 0.04 -0.47 -0.07 0.00 0.07 0.00 0.00 59.98 59.55 1n13 h ARG 124 Cb 0.57 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 1n13 h ARG 124 CO 0.04 1.14 0.07 1.49 -1.07 0.00 0.00 179.97 181.64 1n13 h GLU 125 N 0.80 0.87 -0.72 0.04 4.57 -0.97 -1.93 114.58 117.25 1n13 h GLU 125 Ca 0.08 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1n13 h GLU 125 Cb 0.91 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 1n13 h GLU 125 CO 0.09 0.83 0.32 0.52 -1.18 0.00 0.00 179.01 179.58 1n13 h MET 126 N 0.83 1.03 -0.36 1.92 2.86 -0.89 -0.87 114.93 119.44 1n13 h MET 126 Ca 0.17 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1n13 h MET 126 Cb 0.39 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1n13 h MET 126 CO 0.01 0.81 -0.16 0.00 1.06 0.00 0.00 176.91 178.64 1n13 h ALA 127 N 1.33 0.51 -0.42 6.32 0.00 -1.02 -2.03 119.26 123.95 1n13 h ALA 127 Ca 0.25 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1n13 h ALA 127 Cb 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1n13 h ALA 127 CO -0.03 0.42 0.21 -0.22 0.00 0.00 0.00 179.25 179.64 1n13 h LYS 128 N 0.54 0.42 -0.87 0.00 3.64 -0.97 -2.08 116.57 117.25 1n13 h LYS 128 Ca 0.08 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1n13 h LYS 128 Cb 0.69 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1n13 h LYS 128 CO 0.05 0.28 0.57 0.82 -2.27 0.00 0.00 179.45 178.90 1n13 h ILE 129 N 0.43 1.21 -0.97 2.00 2.04 -1.05 -0.83 117.51 120.34 1n13 h ILE 129 Ca 0.18 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1n13 h ILE 129 Cb 0.08 -0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.05 1n13 h ILE 129 CO -0.12 0.21 0.64 1.23 0.00 0.00 0.00 178.15 180.12 1n13 h GLY 130 N 1.16 1.38 1.68 5.37 0.00 -0.77 0.44 103.07 112.34 1n13 h GLY 130 Ca 0.32 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 47.01 1n13 h GLY 130 CO -0.08 0.49 -0.53 0.74 0.00 0.00 0.00 176.54 177.16 1n13 h PHE 131 N 1.31 0.42 -0.48 5.60 -1.00 -0.74 -2.63 116.94 119.41 1n13 h PHE 131 Ca 0.36 -0.14 -0.10 0.00 2.81 0.00 0.00 57.97 60.90 1n13 h PHE 131 Cb -0.13 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.33 1n13 h PHE 131 CO -0.00 0.80 -0.10 0.93 -1.61 0.00 0.00 178.31 178.32 1n13 h GLU 132 N 0.26 0.88 -0.16 1.51 5.08 -0.22 -0.13 114.58 121.81 1n13 h GLU 132 Ca 0.01 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1n13 h GLU 132 Cb 1.02 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1n13 h GLU 132 CO 0.09 0.95 -0.20 0.52 -1.00 0.00 0.00 179.01 179.36 1n13 h MET 133 N 0.79 0.28 0.00 2.33 2.86 -0.80 -2.22 114.93 118.17 1n13 h MET 133 Ca 0.13 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1n13 h MET 133 Cb 0.62 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1n13 h MET 133 CO 0.04 0.48 -0.45 0.00 1.06 0.00 0.00 176.91 178.04 1n13 h ARG 134 N 0.25 0.00 -1.77 1.72 3.08 -1.13 -3.48 114.38 113.07 1n13 h ARG 134 Ca 0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.89 1n13 h ARG 134 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1n13 h ARG 134 CO 0.03 0.00 -0.27 0.41 -1.07 0.00 0.00 179.97 179.07 1n13 n GLY 135 N 1.28 -0.00 3.87 0.04 0.00 -0.13 -5.02 105.19 105.22 1n13 n GLY 135 Ca 0.03 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1n13 n GLY 135 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n13 s TRP 136 N -2.62 3.50 -0.09 1.61 0.51 -0.76 -5.04 118.94 116.06 1n13 s TRP 136 Ca 0.05 0.36 -0.30 0.00 -2.12 0.00 0.00 56.10 54.09 1n13 s TRP 136 Cb -0.02 -1.84 -0.04 0.00 -0.81 0.00 0.00 33.47 30.77 1n13 s TRP 136 CO 0.06 0.64 1.37 -1.21 -0.51 0.00 0.00 176.95 177.31 1n13 s GLU 137 N -1.66 4.25 -0.06 4.98 2.02 -1.26 -4.66 118.70 122.31 1n13 s GLU 137 Ca 0.23 1.85 -0.23 0.00 0.02 0.00 0.00 54.97 56.84 1n13 s GLU 137 Cb -0.12 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 1n13 s GLU 137 CO 0.14 -0.67 0.70 -1.17 0.02 0.00 0.00 175.26 174.28 1n13 s LEU 138 N 3.17 4.32 -0.15 1.80 2.96 -1.26 -1.62 118.68 127.89 1n13 s LEU 138 Ca 0.61 1.20 -0.15 0.00 -0.22 0.00 0.00 54.13 55.57 1n13 s LEU 138 Cb -0.27 -3.09 -0.12 0.00 0.50 0.00 0.00 46.19 43.21 1n13 s LEU 138 CO 0.22 -0.11 0.18 -0.78 -1.32 0.00 0.00 176.35 174.53 1n13 h ASP 139 N 6.70 0.00 -5.45 3.68 1.82 -0.81 -3.43 116.42 118.93 1n13 h ASP 139 Ca -0.41 -0.36 0.20 0.00 -0.39 0.00 0.00 57.03 56.07 1n13 h ASP 139 Cb 1.20 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.14 1n13 h ASP 139 CO 0.75 0.98 0.59 0.00 -1.61 0.00 0.00 179.24 179.96 1n13 s ARG 140 N -2.13 1.09 -0.07 0.28 1.70 -1.18 -5.01 118.95 113.62 1n13 s ARG 140 Ca -0.17 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 1n13 s ARG 140 Cb 0.02 0.34 0.02 0.00 -0.57 0.00 0.00 34.95 34.76 1n13 s ARG 140 CO 0.39 -0.50 -0.08 0.42 -1.08 0.00 0.00 175.30 174.44 1n13 s ILE 141 N -2.67 0.87 -0.09 4.99 1.01 -1.26 -0.88 121.20 123.17 1n13 s ILE 141 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.55 1n13 s ILE 141 Cb -0.01 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1n13 s ILE 141 CO 0.02 0.31 -0.12 -1.61 0.00 0.00 0.00 174.94 173.54 1n13 s GLU 142 N 1.01 2.93 0.21 2.79 2.02 -0.50 -4.93 118.70 122.24 1n13 s GLU 142 Ca -0.09 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 1n13 s GLU 142 Cb -0.15 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1n13 s GLU 142 CO -0.00 0.47 0.24 -1.54 0.02 0.00 0.00 175.26 174.45 1n13 s SER 143 N -0.31 0.07 -0.01 -0.19 1.04 -1.26 -0.20 113.70 112.84 1n13 s SER 143 Ca 0.03 -1.24 -0.13 0.00 0.48 0.00 0.00 55.95 55.09 1n13 s SER 143 Cb -0.13 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1n13 s SER 143 CO 0.03 -0.93 0.27 -0.51 0.98 0.00 0.00 173.24 173.07 1n13 s ILE 144 N -4.11 0.06 0.08 -1.02 2.07 -0.43 -5.00 121.20 112.85 1n13 s ILE 144 Ca 0.34 -0.50 -0.12 0.00 -1.41 0.00 0.00 60.65 58.95 1n13 s ILE 144 Cb 0.05 -0.57 0.02 0.00 0.13 0.00 0.00 42.46 42.09 1n13 s ILE 144 CO 0.11 -0.28 0.28 0.00 -1.91 0.00 0.00 174.94 173.15 1n13 s ALA 145 N -1.28 -0.56 -0.05 1.50 0.00 -1.26 -1.08 121.76 119.02 1n13 s ALA 145 Ca -0.13 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 1n13 s ALA 145 Cb -0.06 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1n13 s ALA 145 CO 0.03 -0.51 0.31 0.54 0.00 0.00 0.00 175.76 176.14 1n13 s VAL 146 N -3.37 0.04 0.10 0.00 0.11 -0.47 -5.01 120.40 111.80 1n13 s VAL 146 Ca 0.01 -0.32 0.06 0.00 -2.93 0.00 0.00 61.98 58.79 1n13 s VAL 146 Cb 0.02 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1n13 s VAL 146 CO -0.09 -0.18 -0.15 -1.83 -3.33 0.00 0.00 175.10 169.53 1n13 s GLU 147 N -0.83 0.97 -0.01 1.54 -1.05 -1.26 -1.64 118.70 116.41 1n13 s GLU 147 Ca -0.09 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1n13 s GLU 147 Cb -0.04 -0.95 0.02 0.00 -0.44 0.00 0.00 34.13 32.71 1n13 s GLU 147 CO 0.03 0.20 0.01 -1.58 0.95 0.00 0.00 175.26 174.87 1n13 s HIS 148 N -1.68 0.07 -0.37 4.83 2.46 0.14 -4.98 115.29 115.76 1n13 s HIS 148 Ca 0.05 0.05 -0.12 0.00 0.47 0.00 0.00 55.06 55.51 1n13 s HIS 148 Cb -0.07 -0.16 0.02 0.00 -0.13 0.00 0.00 32.58 32.23 1n13 s HIS 148 CO 0.03 -0.05 0.24 0.99 -2.47 0.00 0.00 174.74 173.47 1n13 s THR 149 N 0.58 4.90 0.24 0.89 2.01 -1.26 -0.45 115.64 122.55 1n13 s THR 149 Ca -0.05 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 1n13 s THR 149 Cb -0.07 -3.68 -0.11 0.00 0.01 0.00 0.00 72.50 68.65 1n13 s THR 149 CO -0.02 -0.20 1.63 -0.69 -0.69 0.00 0.00 174.62 174.66 1n13 s VAL 150 N 1.63 2.18 -0.22 3.82 1.01 -0.07 -4.87 120.40 123.87 1n13 s VAL 150 Ca 0.04 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1n13 s VAL 150 Cb -0.19 -3.09 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1n13 s VAL 150 CO 0.08 0.02 -0.24 -0.62 0.00 0.00 0.00 175.10 174.33 1n13 n GLU 151 N 3.16 0.55 0.00 2.72 1.02 -1.26 -0.05 120.64 126.78 1n13 n GLU 151 Ca 0.12 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1n13 n GLU 151 Cb 0.37 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1n13 n GLU 151 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1n13 n LYS 152 N -4.39 0.00 -3.49 3.49 4.81 -1.26 -4.44 118.16 112.88 1n13 n LYS 152 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.09 1n13 n LYS 152 Cb 0.67 -0.20 -0.05 0.00 0.02 0.00 0.00 35.03 35.47 1n13 n LYS 152 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1n13 s LEU 153 N -5.35 -1.05 0.21 3.14 0.20 -1.26 -4.37 118.68 110.21 1n13 s LEU 153 Ca 0.00 1.13 0.02 0.00 0.69 0.00 0.00 54.13 55.97 1n13 s LEU 153 Cb 0.00 1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 47.65 1n13 s LEU 153 CO 0.00 -0.24 0.02 -0.83 -0.29 0.00 0.00 176.35 175.00 1n13 s GLY 154 N 2.79 1.41 -0.01 7.98 0.00 -0.48 -4.99 107.32 114.02 1n13 s GLY 154 Ca 0.04 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.07 1n13 s GLY 154 CO -0.18 -1.58 -0.02 0.00 0.00 0.00 0.00 173.10 171.32 1n13 s ALA 156 N 0.35 2.76 -0.02 0.00 0.00 -0.57 -4.93 121.76 119.34 1n13 s ALA 156 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1n13 s ALA 156 Cb -0.06 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.86 1n13 s ALA 156 CO -0.01 0.38 0.05 0.12 0.00 0.00 0.00 175.76 176.31 1n13 s PHE 157 N -0.14 -0.05 -0.00 0.00 5.36 -1.26 -1.68 117.98 120.21 1n13 s PHE 157 Ca 0.00 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.13 1n13 s PHE 157 Cb -0.13 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.51 1n13 s PHE 157 CO 0.03 -0.05 -0.01 0.00 -1.46 0.00 0.00 175.22 173.73 1n13 s ALA 158 N 0.29 0.12 0.13 11.12 0.00 -0.56 -4.84 121.76 128.04 1n13 s ALA 158 Ca -0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 1n13 s ALA 158 Cb -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1n13 s ALA 158 CO -0.01 0.02 0.29 0.00 0.00 0.00 0.00 175.76 176.06 1n13 s ALA 159 N 0.07 -0.33 -0.29 0.00 0.00 -1.26 -1.19 121.76 118.76 1n13 s ALA 159 Ca -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1n13 s ALA 159 Cb -0.02 0.69 0.08 0.00 0.00 0.00 0.00 23.12 23.88 1n13 s ALA 159 CO -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.15 1n13 s ALA 160 N -3.89 2.26 -0.20 0.00 0.00 0.38 -4.97 121.76 115.33 1n13 s ALA 160 Ca 0.09 -1.84 -0.19 0.00 0.00 0.00 0.00 51.96 50.02 1n13 s ALA 160 Cb 0.03 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 1n13 s ALA 160 CO -0.06 -1.44 0.54 0.00 0.00 0.00 0.00 175.76 174.79 1n13 s ALA 161 N 1.24 3.54 -0.14 0.00 0.00 -1.26 -1.51 121.76 123.64 1n13 s ALA 161 Ca 0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1n13 s ALA 161 Cb -0.19 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1n13 s ALA 161 CO -0.10 -0.46 0.34 -0.51 0.00 0.00 0.00 175.76 175.02 1n13 s LEU 162 N 1.68 4.27 0.00 0.00 1.02 0.09 -5.02 118.68 120.72 1n13 s LEU 162 Ca 0.25 0.60 0.00 0.00 0.02 0.00 0.00 54.13 55.00 1n13 s LEU 162 Cb -0.15 -2.45 0.00 0.00 0.02 0.00 0.00 46.19 43.61 1n13 s LEU 162 CO 0.10 0.10 0.00 1.87 0.02 0.00 0.00 176.35 178.44 1n13 n TRP 163 N 3.43 -0.08 -4.47 0.29 -0.00 -1.26 -3.95 117.44 111.39 1n13 n TRP 163 Ca -0.11 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.16 1n13 n TRP 163 Cb 0.52 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.67 1n13 n TRP 163 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1n13 s TYR 164 N -2.27 1.20 -2.62 5.87 2.02 -1.26 -5.10 117.35 115.20 1n13 s TYR 164 Ca 0.00 -0.39 0.27 0.00 -0.37 0.00 0.00 57.07 56.58 1n13 s TYR 164 Cb 0.00 -0.89 0.85 0.00 -0.40 0.00 0.00 41.96 41.52 1n13 s TYR 164 CO 0.00 -0.21 1.63 1.17 -1.57 0.00 0.00 175.55 176.58