#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wt5 s VAL 2 N 0.00 3.33 -0.24 5.09 1.01 -1.26 -4.07 120.40 124.27 1wt5 s VAL 2 Ca 0.00 1.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.99 1wt5 s VAL 2 Cb 0.00 -3.78 0.09 0.00 0.00 0.00 0.00 36.38 32.69 1wt5 s VAL 2 CO 0.00 0.25 0.84 0.00 0.00 0.00 0.00 175.10 176.20 1wt5 s GLN 3 N -1.74 0.73 -0.22 2.72 -2.07 0.19 -4.96 119.66 114.31 1wt5 s GLN 3 Ca 0.48 0.71 -0.03 0.00 -1.82 0.00 0.00 55.36 54.71 1wt5 s GLN 3 Cb -0.32 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1wt5 s GLN 3 CO 0.41 -0.12 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.68 1wt5 s LEU 4 N 0.04 2.80 -0.24 2.60 1.43 -1.26 -0.22 118.68 123.83 1wt5 s LEU 4 Ca -0.00 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1wt5 s LEU 4 Cb -0.04 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1wt5 s LEU 4 CO -0.00 -0.03 -0.03 0.68 0.23 0.00 0.00 176.35 177.19 1wt5 s VAL 5 N 1.42 3.30 0.53 -1.59 -7.23 -0.67 -3.50 120.40 112.66 1wt5 s VAL 5 Ca 0.05 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.53 1wt5 s VAL 5 Cb -0.14 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.24 1wt5 s VAL 5 CO -0.05 0.29 0.76 -1.10 -0.31 0.00 0.00 175.10 174.69 1wt5 s GLN 6 N 1.43 2.63 0.80 4.82 -0.21 -1.26 -1.46 119.66 126.41 1wt5 s GLN 6 Ca 0.03 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 54.56 1wt5 s GLN 6 Cb -0.15 -2.50 0.07 0.00 1.00 0.00 0.00 33.01 31.43 1wt5 s GLN 6 CO -0.03 -0.64 1.09 -1.54 -2.12 0.00 0.00 175.29 172.05 1wt5 s SER 7 N -4.39 4.43 1.02 5.90 1.04 -0.84 -4.97 113.70 115.88 1wt5 s SER 7 Ca 0.56 1.41 -0.13 0.00 0.48 0.00 0.00 55.95 58.27 1wt5 s SER 7 Cb -0.10 -2.15 0.20 0.00 0.10 0.00 0.00 66.02 64.07 1wt5 s SER 7 CO 0.38 -2.03 1.09 -0.83 0.98 0.00 0.00 173.24 172.84 1wt5 s GLY 8 N -3.77 1.56 0.43 7.32 0.00 -1.26 -4.67 107.32 106.92 1wt5 s GLY 8 Ca 0.61 -0.42 -0.26 0.00 0.00 0.00 0.00 44.72 44.65 1wt5 s GLY 8 CO 0.55 0.22 1.33 0.00 0.00 0.00 0.00 173.10 175.19 1wt5 n ALA 9 N -4.25 1.55 -2.39 3.20 0.00 -1.26 -4.71 120.51 112.65 1wt5 n ALA 9 Ca 0.05 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 1wt5 n ALA 9 Cb 0.58 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.56 1wt5 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wt5 s GLU 10 N -2.27 1.79 -0.18 0.00 0.41 0.12 -4.97 118.70 113.60 1wt5 s GLU 10 Ca 0.61 -0.82 -0.03 0.00 -0.41 0.00 0.00 54.97 54.32 1wt5 s GLU 10 Cb -0.49 -1.75 -0.01 0.00 -1.78 0.00 0.00 34.13 30.10 1wt5 s GLU 10 CO 0.58 0.48 -0.07 0.08 -0.49 0.00 0.00 175.26 175.84 1wt5 s VAL 11 N -0.55 3.39 -0.00 2.63 1.01 -1.26 -1.09 120.40 124.53 1wt5 s VAL 11 Ca 0.09 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1wt5 s VAL 11 Cb -0.09 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1wt5 s VAL 11 CO -0.01 0.47 -0.08 -0.54 0.00 0.00 0.00 175.10 174.94 1wt5 s LYS 12 N 0.88 0.65 0.49 2.72 -0.14 0.61 -4.96 119.74 119.99 1wt5 s LYS 12 Ca -0.02 -0.32 -0.20 0.00 -1.36 0.00 0.00 55.97 54.08 1wt5 s LYS 12 Cb -0.15 -0.63 -0.08 0.00 -1.68 0.00 0.00 37.83 35.29 1wt5 s LYS 12 CO 0.01 0.17 1.03 0.15 -0.76 0.00 0.00 175.35 175.95 1wt5 s LYS 13 N -0.27 3.82 0.59 1.68 3.01 -1.26 -4.91 119.74 122.40 1wt5 s LYS 13 Ca 0.03 1.31 -0.20 0.00 -1.01 0.00 0.00 55.97 56.09 1wt5 s LYS 13 Cb -0.03 -2.10 -0.03 0.00 -1.01 0.00 0.00 37.83 34.65 1wt5 s LYS 13 CO -0.00 -0.41 1.32 -2.30 0.51 0.00 0.00 175.35 174.46 1wt5 n PRO 14 N -1.03 1.44 0.00 -1.68 -0.02 -1.26 -1.83 135.00 130.62 1wt5 n PRO 14 Ca 0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1wt5 n PRO 14 Cb 0.53 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1wt5 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wt5 n GLY 15 N 0.85 3.24 3.80 -1.23 0.00 -0.59 -4.92 105.19 106.33 1wt5 n GLY 15 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1wt5 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wt5 n ALA 16 N -0.96 -1.47 -2.55 4.61 0.00 -0.76 -3.99 120.51 115.39 1wt5 n ALA 16 Ca 0.00 -1.71 -0.17 0.00 0.00 0.00 0.00 53.44 51.56 1wt5 n ALA 16 Cb 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.26 1wt5 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wt5 s SER 17 N -5.78 1.69 0.02 0.00 1.04 -1.26 -0.95 113.70 108.46 1wt5 s SER 17 Ca 0.74 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 56.46 1wt5 s SER 17 Cb -0.02 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 1wt5 s SER 17 CO 0.52 -0.17 -0.14 0.54 0.98 0.00 0.00 173.24 174.96 1wt5 s VAL 18 N -2.01 1.13 -0.22 5.02 0.11 -0.76 -5.00 120.40 118.68 1wt5 s VAL 18 Ca 0.04 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 1wt5 s VAL 18 Cb -0.06 -0.99 0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1wt5 s VAL 18 CO 0.02 0.12 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.04 1wt5 s LYS 19 N -0.84 2.29 -0.13 1.54 2.20 -1.26 -1.40 119.74 122.14 1wt5 s LYS 19 Ca 0.03 -1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 54.52 1wt5 s LYS 19 Cb -0.07 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 1wt5 s LYS 19 CO 0.01 -0.44 0.21 0.08 -0.36 0.00 0.00 175.35 174.85 1wt5 s VAL 20 N 1.27 5.38 0.09 4.02 1.01 -0.27 -4.93 120.40 126.96 1wt5 s VAL 20 Ca -0.03 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1wt5 s VAL 20 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1wt5 s VAL 20 CO -0.08 0.53 0.09 -0.94 0.00 0.00 0.00 175.10 174.70 1wt5 s SER 21 N -0.46 5.54 -0.22 3.32 1.04 -1.26 -1.68 113.70 119.97 1wt5 s SER 21 Ca 0.15 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 1wt5 s SER 21 Cb -0.13 -1.48 0.08 0.00 0.10 0.00 0.00 66.02 64.59 1wt5 s SER 21 CO 0.04 0.15 0.14 0.00 0.98 0.00 0.00 173.24 174.56 1wt5 s LYS 23 N 2.18 4.03 -0.13 0.00 2.20 -0.54 -0.61 119.74 126.87 1wt5 s LYS 23 Ca 0.05 0.03 -0.20 0.00 -0.36 0.00 0.00 55.97 55.50 1wt5 s LYS 23 Cb -0.16 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 1wt5 s LYS 23 CO -0.19 -0.24 0.57 0.00 -0.36 0.00 0.00 175.35 175.12 1wt5 s ALA 24 N 1.95 3.46 0.13 3.13 0.00 -0.33 -1.67 121.76 128.44 1wt5 s ALA 24 Ca 0.15 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.00 1wt5 s ALA 24 Cb -0.16 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1wt5 s ALA 24 CO 0.10 -0.19 -0.11 0.45 0.00 0.00 0.00 175.76 176.01 1wt5 s SER 25 N 0.85 1.71 0.00 0.00 0.15 0.70 -4.83 113.70 112.27 1wt5 s SER 25 Ca 0.29 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1wt5 s SER 25 Cb -0.16 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1wt5 s SER 25 CO 0.12 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1wt5 n GLY 26 N 0.13 0.78 3.78 9.45 0.00 -1.26 -0.64 105.19 117.43 1wt5 n GLY 26 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1wt5 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wt5 s TYR 27 N -3.06 0.23 -0.63 1.61 1.13 -1.26 -4.26 117.35 111.11 1wt5 s TYR 27 Ca 0.00 -0.90 -0.24 0.00 -1.41 0.00 0.00 57.07 54.53 1wt5 s TYR 27 Cb 0.00 0.78 0.05 0.00 -1.10 0.00 0.00 41.96 41.69 1wt5 s TYR 27 CO 0.00 -1.57 1.00 0.99 -2.51 0.00 0.00 175.55 173.46 1wt5 s THR 28 N -2.20 4.26 0.24 -3.49 2.01 -1.26 -4.95 115.64 110.25 1wt5 s THR 28 Ca 0.17 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.01 1wt5 s THR 28 Cb -0.05 -4.67 0.31 0.00 0.01 0.00 0.00 72.50 68.11 1wt5 s THR 28 CO 0.13 -1.40 1.60 0.15 -0.69 0.00 0.00 174.62 174.40 1wt5 h PHE 29 N 9.55 -0.46 0.00 4.92 3.57 -1.96 -2.48 116.94 130.07 1wt5 h PHE 29 Ca -0.28 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1wt5 h PHE 29 Cb 1.07 0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1wt5 h PHE 29 CO 0.97 -0.34 0.00 0.25 -2.23 0.00 0.00 178.31 176.96 1wt5 n THR 30 N -5.51 0.42 0.69 4.41 -2.24 -1.26 -3.60 114.28 107.20 1wt5 n THR 30 Ca 0.11 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1wt5 n THR 30 Cb 0.40 -0.74 0.43 0.00 -2.10 0.00 0.00 70.33 68.32 1wt5 n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wt5 n SER 31 N -1.38 0.68 -4.20 3.42 3.41 -0.93 -4.35 113.62 110.27 1wt5 n SER 31 Ca 0.08 0.55 -0.15 0.00 -0.26 0.00 0.00 58.87 59.09 1wt5 n SER 31 Cb 0.21 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.32 1wt5 n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1wt5 s TYR 32 N -3.09 1.18 0.49 7.33 1.51 -1.24 -5.10 117.35 118.43 1wt5 s TYR 32 Ca 0.11 -0.63 -0.21 0.00 -1.01 0.00 0.00 57.07 55.33 1wt5 s TYR 32 Cb 0.13 -0.63 -0.07 0.00 -0.11 0.00 0.00 41.96 41.28 1wt5 s TYR 32 CO 0.59 0.05 1.11 -1.58 -1.11 0.00 0.00 175.55 174.61 1wt5 s TRP 33 N -2.39 2.88 -0.19 2.71 0.52 -1.26 -4.43 118.94 116.78 1wt5 s TRP 33 Ca 0.07 1.56 -0.00 0.00 0.02 0.00 0.00 56.10 57.75 1wt5 s TRP 33 Cb -0.03 -3.26 0.01 0.00 -1.15 0.00 0.00 33.47 29.04 1wt5 s TRP 33 CO 0.01 -1.29 -0.16 1.41 0.02 0.00 0.00 176.95 176.94 1wt5 s MET 34 N -2.97 3.10 0.40 4.98 1.75 -0.81 -2.05 119.30 123.71 1wt5 s MET 34 Ca 0.67 -0.77 0.06 0.00 -1.25 0.00 0.00 55.69 54.40 1wt5 s MET 34 Cb -0.24 -2.68 0.00 0.00 2.84 0.00 0.00 34.83 34.76 1wt5 s MET 34 CO 0.28 -0.19 0.55 -1.01 -0.65 0.00 0.00 175.02 174.01 1wt5 s HIS 35 N 1.29 2.96 -0.08 4.11 3.76 0.24 -1.88 115.29 125.69 1wt5 s HIS 35 Ca 0.04 -0.26 -0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1wt5 s HIS 35 Cb -0.14 -2.25 0.03 0.00 1.11 0.00 0.00 32.58 31.33 1wt5 s HIS 35 CO -0.09 -0.29 -0.01 -1.58 -0.85 0.00 0.00 174.74 171.92 1wt5 s TRP 36 N -2.33 0.80 0.03 1.40 0.52 -0.29 -0.73 118.94 118.35 1wt5 s TRP 36 Ca 0.51 -0.28 0.07 0.00 0.02 0.00 0.00 56.10 56.41 1wt5 s TRP 36 Cb -0.10 -0.88 -0.02 0.00 -1.15 0.00 0.00 33.47 31.32 1wt5 s TRP 36 CO 0.33 -0.37 -0.19 0.08 0.02 0.00 0.00 176.95 176.82 1wt5 s VAL 37 N 1.93 1.54 0.06 4.03 1.01 0.41 -0.51 120.40 128.87 1wt5 s VAL 37 Ca 0.05 -1.11 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1wt5 s VAL 37 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1wt5 s VAL 37 CO -0.06 0.20 -0.21 0.00 0.00 0.00 0.00 175.10 175.03 1wt5 s ARG 38 N -1.06 1.35 -0.48 2.72 1.70 -0.75 -0.10 118.95 122.33 1wt5 s ARG 38 Ca 0.06 -1.02 -0.02 0.00 -0.47 0.00 0.00 55.73 54.28 1wt5 s ARG 38 Cb -0.08 -1.52 0.13 0.00 -0.57 0.00 0.00 34.95 32.90 1wt5 s ARG 38 CO 0.01 0.38 0.28 -1.14 -1.08 0.00 0.00 175.30 173.75 1wt5 s GLN 39 N -1.39 2.15 -0.32 3.89 0.74 0.66 -2.03 119.66 123.35 1wt5 s GLN 39 Ca 0.08 -2.12 -0.08 0.00 0.05 0.00 0.00 55.36 53.29 1wt5 s GLN 39 Cb -0.09 -3.59 0.02 0.00 1.10 0.00 0.00 33.01 30.45 1wt5 s GLN 39 CO 0.03 -1.10 0.12 0.00 -0.55 0.00 0.00 175.29 173.79 1wt5 s ALA 40 N 0.62 3.14 0.39 1.58 0.00 -1.17 -2.10 121.76 124.22 1wt5 s ALA 40 Ca 0.12 -1.56 0.13 0.00 0.00 0.00 0.00 51.96 50.65 1wt5 s ALA 40 Cb -0.22 -2.30 0.45 0.00 0.00 0.00 0.00 23.12 21.05 1wt5 s ALA 40 CO -0.04 -1.10 0.78 -2.30 0.00 0.00 0.00 175.76 173.10 1wt5 n PRO 41 N 4.90 0.01 0.23 0.00 -0.02 -1.26 -1.29 135.00 137.58 1wt5 n PRO 41 Ca -0.13 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1wt5 n PRO 41 Cb 0.47 -1.62 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 1wt5 n PRO 41 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1wt5 h GLY 42 N 0.00 -0.64 -6.49 -1.23 0.00 -1.94 -3.40 103.07 89.36 1wt5 h GLY 42 Ca 0.25 0.24 -0.60 0.00 0.00 0.00 0.00 47.33 47.22 1wt5 h GLY 42 CO -0.00 -0.23 -0.78 -0.18 0.00 0.00 0.00 176.54 175.34 1wt5 n GLN 43 N -5.23 1.35 0.00 4.80 0.00 -0.41 -5.10 117.38 112.79 1wt5 n GLN 43 Ca -0.10 -3.95 0.00 0.00 -0.00 0.00 0.00 57.00 52.95 1wt5 n GLN 43 Cb 0.30 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.62 1wt5 n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wt5 n GLY 44 N 1.84 1.21 3.63 1.69 0.00 -1.24 -4.48 105.19 107.84 1wt5 n GLY 44 Ca 0.25 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 1wt5 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wt5 s LEU 45 N 0.00 3.32 -0.09 0.99 1.02 -1.26 -3.07 118.68 119.58 1wt5 s LEU 45 Ca 0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.06 1wt5 s LEU 45 Cb 0.00 -1.85 0.05 0.00 0.02 0.00 0.00 46.19 44.40 1wt5 s LEU 45 CO 0.00 0.31 0.21 -1.83 0.02 0.00 0.00 176.35 175.05 1wt5 s GLU 46 N -1.30 0.14 0.13 1.70 -1.05 -0.86 -4.98 118.70 112.49 1wt5 s GLU 46 Ca 0.17 0.51 -0.31 0.00 -0.15 0.00 0.00 54.97 55.18 1wt5 s GLU 46 Cb -0.11 -0.15 -0.09 0.00 -0.44 0.00 0.00 34.13 33.34 1wt5 s GLU 46 CO 0.07 -0.19 1.47 -0.46 0.95 0.00 0.00 175.26 177.10 1wt5 s TRP 47 N 1.48 3.14 -0.22 4.83 -0.00 -1.26 -1.80 118.94 125.11 1wt5 s TRP 47 Ca -0.07 0.79 0.01 0.00 -0.00 0.00 0.00 56.10 56.84 1wt5 s TRP 47 Cb -0.11 -3.80 -0.20 0.00 -0.00 0.00 0.00 33.47 29.37 1wt5 s TRP 47 CO -0.07 -2.87 -0.07 -1.33 -0.00 0.00 0.00 176.95 172.61 1wt5 n MET 48 N 4.01 0.68 -3.75 5.86 2.81 0.33 -4.71 117.12 122.34 1wt5 n MET 48 Ca 0.13 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 1wt5 n MET 48 Cb 0.41 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1wt5 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wt5 n GLY 49 N 2.17 -1.83 3.61 3.03 0.00 -1.15 -0.85 105.19 110.17 1wt5 n GLY 49 Ca -0.42 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 1wt5 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wt5 s ASN 50 N -2.33 -0.14 -0.05 1.61 6.03 -0.50 -1.13 114.94 118.42 1wt5 s ASN 50 Ca 0.00 -0.80 -0.10 0.00 -1.03 0.00 0.00 52.86 50.92 1wt5 s ASN 50 Cb 0.00 0.60 0.02 0.00 -3.03 0.00 0.00 41.25 38.84 1wt5 s ASN 50 CO 0.00 -1.15 0.25 -0.51 -2.03 0.00 0.00 177.10 173.66 1wt5 s ILE 51 N -3.98 0.03 -0.45 0.54 2.07 -0.79 -2.15 121.20 116.48 1wt5 s ILE 51 Ca 0.18 -0.28 -0.13 0.00 -1.41 0.00 0.00 60.65 59.01 1wt5 s ILE 51 Cb -0.01 -0.45 0.08 0.00 0.13 0.00 0.00 42.46 42.20 1wt5 s ILE 51 CO 0.06 -0.15 0.34 -0.47 -1.91 0.00 0.00 174.94 172.81 1wt5 s TYR 52 N -0.58 3.28 0.57 3.50 5.04 0.95 -1.92 117.35 128.19 1wt5 s TYR 52 Ca -0.07 -1.16 0.38 0.00 -2.44 0.00 0.00 57.07 53.78 1wt5 s TYR 52 Cb -0.04 -3.09 1.47 0.00 0.35 0.00 0.00 41.96 40.65 1wt5 s TYR 52 CO 0.02 -0.82 1.63 -1.35 -1.34 0.00 0.00 175.55 173.69 1wt5 h PRO 53 N 8.62 0.00 0.12 4.97 0.11 -1.85 0.70 132.00 144.66 1wt5 h PRO 53 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1wt5 h PRO 53 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1wt5 h PRO 53 CO 0.83 0.00 -0.06 0.78 -0.21 0.00 0.00 178.00 179.35 1wt5 h GLY 54 N 0.00 -0.16 0.09 -0.55 0.00 -1.92 -3.38 103.07 97.14 1wt5 h GLY 54 Ca 0.63 0.06 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1wt5 h GLY 54 CO -0.01 -0.06 -0.63 -1.14 0.00 0.00 0.00 176.54 174.71 1wt5 n SER 55 N -4.86 1.10 -0.88 0.19 3.41 -1.09 -4.95 113.62 106.54 1wt5 n SER 55 Ca -0.04 -0.90 -0.09 0.00 -0.26 0.00 0.00 58.87 57.57 1wt5 n SER 55 Cb 0.17 0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 64.64 1wt5 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wt5 n GLY 56 N 1.45 0.61 3.79 5.00 0.00 0.24 -4.99 105.19 111.30 1wt5 n GLY 56 Ca 0.07 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1wt5 n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wt5 s GLY 57 N -2.76 2.58 0.04 -0.02 0.00 -1.17 -4.75 107.32 101.26 1wt5 s GLY 57 Ca 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 1wt5 s GLY 57 CO 0.00 1.03 0.06 -0.51 0.00 0.00 0.00 173.10 173.68 1wt5 s THR 58 N -1.87 0.15 -0.04 0.90 -4.23 -1.26 -0.03 115.64 109.27 1wt5 s THR 58 Ca 0.67 -1.24 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 1wt5 s THR 58 Cb -0.19 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.67 1wt5 s THR 58 CO 0.23 -0.69 0.03 0.20 -0.54 0.00 0.00 174.62 173.85 1wt5 s ASN 59 N -2.29 0.74 -0.01 3.99 0.01 -0.91 -5.00 114.94 111.48 1wt5 s ASN 59 Ca -0.03 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1wt5 s ASN 59 Cb 0.00 -0.19 -0.03 0.00 0.41 0.00 0.00 41.25 41.45 1wt5 s ASN 59 CO -0.06 -0.17 -0.15 -0.31 -1.51 0.00 0.00 177.10 174.90 1wt5 s TYR 60 N 1.56 2.65 0.59 2.20 4.12 -1.26 -1.40 117.35 125.81 1wt5 s TYR 60 Ca -0.03 -0.19 -0.19 0.00 0.02 0.00 0.00 57.07 56.68 1wt5 s TYR 60 Cb -0.13 -1.56 -0.04 0.00 -1.52 0.00 0.00 41.96 38.72 1wt5 s TYR 60 CO -0.03 0.22 1.21 0.00 0.02 0.00 0.00 175.55 176.98 1wt5 s ALA 61 N -0.83 2.54 0.29 3.71 0.00 -0.03 -4.79 121.76 122.64 1wt5 s ALA 61 Ca 0.13 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 1wt5 s ALA 61 Cb -0.11 -3.46 0.45 0.00 0.00 0.00 0.00 23.12 20.01 1wt5 s ALA 61 CO 0.03 -1.17 1.93 0.93 0.00 0.00 0.00 175.76 177.47 1wt5 h GLU 62 N 0.88 1.10 -0.34 0.00 5.08 -1.94 -1.55 114.58 117.80 1wt5 h GLU 62 Ca -0.50 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 57.88 1wt5 h GLU 62 Cb 1.30 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1wt5 h GLU 62 CO 0.55 0.73 0.24 -0.22 -1.00 0.00 0.00 179.01 179.31 1wt5 h LYS 63 N 1.13 0.07 -0.03 2.33 3.64 -1.95 -2.99 116.57 118.76 1wt5 h LYS 63 Ca 0.37 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1wt5 h LYS 63 Cb 0.05 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1wt5 h LYS 63 CO -0.12 0.04 0.00 1.19 -2.27 0.00 0.00 179.45 178.30 1wt5 n PHE 64 N -4.45 0.03 -0.17 1.91 3.01 -0.88 -4.81 117.46 112.10 1wt5 n PHE 64 Ca 0.05 -0.06 -0.02 0.00 1.01 0.00 0.00 57.45 58.43 1wt5 n PHE 64 Cb 0.37 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.90 1wt5 n PHE 64 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1wt5 h LYS 65 N 1.24 0.06 0.00 -1.08 1.63 -1.15 -1.55 116.57 115.72 1wt5 h LYS 65 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wt5 h LYS 65 Cb 0.31 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1wt5 h LYS 65 CO 0.00 0.04 0.00 0.27 -3.45 0.00 0.00 179.45 176.31 1wt5 n ASN 66 N -5.30 0.00 0.00 4.20 0.23 -1.26 -3.94 115.26 109.19 1wt5 n ASN 66 Ca 0.06 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 1wt5 n ASN 66 Cb 0.29 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1wt5 n ASN 66 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1wt5 n ARG 67 N -0.92 0.00 -5.06 -3.83 1.85 -0.97 -5.02 116.66 102.71 1wt5 n ARG 67 Ca 0.16 -0.33 -0.29 0.00 -1.00 0.00 0.00 57.85 56.39 1wt5 n ARG 67 Cb 0.07 -0.36 -0.15 0.00 -1.05 0.00 0.00 32.46 30.97 1wt5 n ARG 67 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wt5 s VAL 68 N 0.00 1.94 -0.03 8.89 1.01 -0.62 0.17 120.40 131.76 1wt5 s VAL 68 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1wt5 s VAL 68 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1wt5 s VAL 68 CO 0.00 0.45 -0.03 -0.89 0.00 0.00 0.00 175.10 174.63 1wt5 s THR 69 N -0.66 0.39 -0.01 3.92 2.01 -0.07 -4.86 115.64 116.35 1wt5 s THR 69 Ca 0.10 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1wt5 s THR 69 Cb -0.09 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1wt5 s THR 69 CO 0.00 0.17 -0.19 -0.04 -0.69 0.00 0.00 174.62 173.87 1wt5 s MET 70 N 0.63 2.25 0.31 4.92 -1.94 -1.26 -0.49 119.30 123.71 1wt5 s MET 70 Ca -0.07 -0.85 -0.04 0.00 -1.71 0.00 0.00 55.69 53.01 1wt5 s MET 70 Cb -0.11 -2.21 -0.01 0.00 2.01 0.00 0.00 34.83 34.52 1wt5 s MET 70 CO -0.00 0.58 0.43 0.95 -0.01 0.00 0.00 175.02 176.96 1wt5 s THR 71 N -0.75 0.00 -0.07 2.05 -4.23 -0.42 -4.98 115.64 107.24 1wt5 s THR 71 Ca 0.12 -1.62 -0.26 0.00 -1.18 0.00 0.00 61.69 58.75 1wt5 s THR 71 Cb -0.10 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1wt5 s THR 71 CO 0.01 0.00 0.59 0.00 -0.54 0.00 0.00 174.62 174.68 1wt5 s ARG 72 N -3.40 0.93 -0.50 3.99 3.03 -1.26 -0.31 118.95 121.43 1wt5 s ARG 72 Ca 0.30 0.24 0.03 0.00 2.03 0.00 0.00 55.73 58.34 1wt5 s ARG 72 Cb 0.01 0.44 0.13 0.00 -1.03 0.00 0.00 34.95 34.49 1wt5 s ARG 72 CO 0.17 -0.26 0.24 0.34 -1.13 0.00 0.00 175.30 174.66 1wt5 s ASP 73 N -1.01 4.49 0.57 -2.89 3.68 0.13 -4.95 116.67 116.69 1wt5 s ASP 73 Ca -0.10 -2.84 0.26 0.00 2.13 0.00 0.00 52.55 52.00 1wt5 s ASP 73 Cb -0.02 -1.66 1.56 0.00 -1.45 0.00 0.00 42.92 41.35 1wt5 s ASP 73 CO 0.07 -0.27 2.09 0.74 0.13 0.00 0.00 175.17 177.93 1wt5 h THR 74 N 5.68 0.60 -0.04 1.71 2.02 -1.89 0.86 112.91 121.86 1wt5 h THR 74 Ca -0.07 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 1wt5 h THR 74 Cb 0.92 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1wt5 h THR 74 CO 0.66 0.00 -0.25 0.77 0.37 0.00 0.00 175.52 177.08 1wt5 h SER 75 N 0.00 0.07 -0.03 4.18 4.64 -1.96 -2.86 113.55 117.59 1wt5 h SER 75 Ca 0.10 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1wt5 h SER 75 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1wt5 h SER 75 CO -0.00 0.32 0.00 2.30 -0.87 0.00 0.00 176.83 178.58 1wt5 n ILE 76 N -4.22 1.55 -3.89 0.95 -5.35 -0.47 -5.02 119.36 102.91 1wt5 n ILE 76 Ca -0.02 -1.72 -0.40 0.00 -0.27 0.00 0.00 62.75 60.34 1wt5 n ILE 76 Cb 0.32 0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.31 1wt5 n ILE 76 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1wt5 n SER 77 N -0.96 -4.71 -3.89 7.28 7.64 0.17 -4.77 113.62 114.38 1wt5 n SER 77 Ca 0.10 -1.17 -0.17 0.00 1.01 0.00 0.00 58.87 58.64 1wt5 n SER 77 Cb 0.50 -2.48 -0.15 0.00 -1.01 0.00 0.00 64.21 61.07 1wt5 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1wt5 s THR 78 N -3.50 0.33 0.10 0.44 2.01 -0.94 -1.19 115.64 112.90 1wt5 s THR 78 Ca 0.49 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1wt5 s THR 78 Cb -0.23 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1wt5 s THR 78 CO 0.92 0.14 0.12 0.00 -0.69 0.00 0.00 174.62 175.11 1wt5 s ALA 79 N 0.50 3.64 0.02 7.40 0.00 0.22 0.21 121.76 133.75 1wt5 s ALA 79 Ca -0.05 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1wt5 s ALA 79 Cb -0.09 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1wt5 s ALA 79 CO -0.01 0.69 -0.11 0.71 0.00 0.00 0.00 175.76 177.04 1wt5 s TYR 80 N -1.51 1.00 -0.14 0.00 2.02 0.58 -0.83 117.35 118.46 1wt5 s TYR 80 Ca 0.31 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.70 1wt5 s TYR 80 Cb -0.12 -0.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.87 1wt5 s TYR 80 CO 0.23 -0.00 -0.05 1.41 -1.57 0.00 0.00 175.55 175.58 1wt5 s MET 81 N -0.84 1.33 -0.21 -0.62 -2.45 -0.68 -1.31 119.30 114.53 1wt5 s MET 81 Ca 0.01 -0.38 -0.04 0.00 -1.25 0.00 0.00 55.69 54.03 1wt5 s MET 81 Cb -0.06 -1.81 -0.01 0.00 1.25 0.00 0.00 34.83 34.20 1wt5 s MET 81 CO 0.00 -0.39 -0.04 -2.00 1.05 0.00 0.00 175.02 173.64 1wt5 s GLU 82 N 1.70 3.43 -0.20 4.11 2.12 0.35 -1.12 118.70 129.09 1wt5 s GLU 82 Ca 0.02 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.71 1wt5 s GLU 82 Cb -0.14 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1wt5 s GLU 82 CO -0.08 -0.12 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.30 1wt5 s LEU 83 N 1.28 2.88 0.42 2.70 0.20 -0.50 -0.89 118.68 124.78 1wt5 s LEU 83 Ca 0.03 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 54.57 1wt5 s LEU 83 Cb -0.14 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.89 1wt5 s LEU 83 CO -0.01 0.03 0.44 -0.44 -0.29 0.00 0.00 176.35 176.07 1wt5 s SER 84 N 1.20 5.20 -1.21 3.68 0.01 0.13 -1.82 113.70 120.89 1wt5 s SER 84 Ca 0.02 -0.67 -0.13 0.00 1.31 0.00 0.00 55.95 56.48 1wt5 s SER 84 Cb -0.14 -0.56 -0.01 0.00 0.21 0.00 0.00 66.02 65.51 1wt5 s SER 84 CO -0.02 -0.70 0.72 0.54 0.41 0.00 0.00 173.24 174.19 1wt5 n ARG 85 N -1.64 -2.19 -1.75 12.44 1.74 -0.97 -4.89 116.66 119.40 1wt5 n ARG 85 Ca 0.05 0.49 -0.37 0.00 -0.77 0.00 0.00 57.85 57.25 1wt5 n ARG 85 Cb 0.61 -4.44 0.06 0.00 -1.02 0.00 0.00 32.46 27.68 1wt5 n ARG 85 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wt5 s LEU 86 N -6.54 3.65 0.16 0.55 1.43 -0.13 -4.69 118.68 113.11 1wt5 s LEU 86 Ca 0.32 2.67 -0.00 0.00 -1.03 0.00 0.00 54.13 56.08 1wt5 s LEU 86 Cb -0.11 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 1wt5 s LEU 86 CO 0.85 -1.90 0.06 -0.13 0.23 0.00 0.00 176.35 175.46 1wt5 s ARG 87 N -3.26 1.05 0.43 1.70 0.52 -1.26 -1.55 118.95 116.59 1wt5 s ARG 87 Ca 0.80 -1.52 0.19 0.00 -0.52 0.00 0.00 55.73 54.69 1wt5 s ARG 87 Cb -0.38 0.09 1.14 0.00 0.52 0.00 0.00 34.95 36.31 1wt5 s ARG 87 CO 0.42 -0.25 1.86 0.77 0.02 0.00 0.00 175.30 178.12 1wt5 h SER 88 N 2.75 0.35 0.46 0.23 0.02 -1.99 -0.60 113.55 114.76 1wt5 h SER 88 Ca -0.36 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1wt5 h SER 88 Cb 1.21 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1wt5 h SER 88 CO 0.59 0.14 0.00 -0.90 -1.14 0.00 0.00 176.83 175.52 1wt5 n ASP 89 N -4.48 0.09 -0.12 3.07 5.68 -1.26 -2.26 116.55 117.27 1wt5 n ASP 89 Ca 0.19 0.52 0.13 0.00 -0.50 0.00 0.00 54.79 55.14 1wt5 n ASP 89 Cb 0.72 -0.54 0.48 0.00 -1.14 0.00 0.00 41.12 40.64 1wt5 n ASP 89 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wt5 n ASP 90 N -1.60 0.58 -4.62 -1.12 10.43 -0.23 -4.79 116.55 115.19 1wt5 n ASP 90 Ca 0.03 -0.49 -0.43 0.00 2.57 0.00 0.00 54.79 56.47 1wt5 n ASP 90 Cb 0.15 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.08 1wt5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1wt5 s THR 91 N -2.63 3.31 -0.05 -3.53 2.01 -0.96 -4.80 115.64 108.99 1wt5 s THR 91 Ca 0.23 0.35 -0.31 0.00 0.31 0.00 0.00 61.69 62.27 1wt5 s THR 91 Cb 0.19 -3.33 0.12 0.00 0.01 0.00 0.00 72.50 69.49 1wt5 s THR 91 CO 0.53 -0.15 1.35 0.00 -0.69 0.00 0.00 174.62 175.66 1wt5 s ALA 92 N 6.16 -2.46 -0.22 7.40 0.00 -0.58 -4.70 121.76 127.36 1wt5 s ALA 92 Ca 0.85 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.24 1wt5 s ALA 92 Cb -0.31 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1wt5 s ALA 92 CO 0.34 -1.10 0.28 0.08 0.00 0.00 0.00 175.76 175.37 1wt5 s VAL 93 N -2.15 5.28 -0.18 0.00 1.01 -0.89 -1.37 120.40 122.10 1wt5 s VAL 93 Ca 0.20 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 1wt5 s VAL 93 Cb 0.04 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1wt5 s VAL 93 CO -0.04 0.30 0.06 -0.31 0.00 0.00 0.00 175.10 175.11 1wt5 s TYR 94 N 1.19 3.26 -0.02 5.22 1.51 0.13 -0.24 117.35 128.40 1wt5 s TYR 94 Ca 0.13 0.09 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 1wt5 s TYR 94 Cb -0.14 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1wt5 s TYR 94 CO 0.06 0.18 -0.26 0.71 -1.11 0.00 0.00 175.55 175.14 1wt5 s TYR 95 N 0.31 2.29 0.14 2.71 2.02 0.86 0.69 117.35 126.36 1wt5 s TYR 95 Ca 0.04 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1wt5 s TYR 95 Cb -0.12 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1wt5 s TYR 95 CO 0.00 -0.04 0.27 0.00 -1.57 0.00 0.00 175.55 174.21 1wt5 s ALA 97 N -1.71 -1.37 0.21 0.00 0.00 0.09 -1.75 121.76 117.23 1wt5 s ALA 97 Ca 0.34 1.74 -0.13 0.00 0.00 0.00 0.00 51.96 53.91 1wt5 s ALA 97 Cb -0.11 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 1wt5 s ALA 97 CO 0.28 -0.29 0.59 0.50 0.00 0.00 0.00 175.76 176.85 1wt5 s ARG 98 N 0.95 3.94 0.18 0.00 3.00 -0.74 0.79 118.95 127.08 1wt5 s ARG 98 Ca -0.05 0.47 -0.26 0.00 -1.00 0.00 0.00 55.73 54.89 1wt5 s ARG 98 Cb -0.06 -2.76 -0.08 0.00 0.00 0.00 0.00 34.95 32.05 1wt5 s ARG 98 CO -0.08 0.37 0.80 -1.54 0.00 0.00 0.00 175.30 174.85 1wt5 s SER 99 N -2.01 7.43 -0.15 -2.12 1.04 -0.87 -0.84 113.70 116.18 1wt5 s SER 99 Ca 0.44 1.70 0.16 0.00 0.48 0.00 0.00 55.95 58.73 1wt5 s SER 99 Cb -0.13 -2.52 0.69 0.00 0.10 0.00 0.00 66.02 64.16 1wt5 s SER 99 CO 0.20 0.20 1.60 0.61 0.98 0.00 0.00 173.24 176.83 1wt5 n GLY 100 N 1.55 3.07 0.75 7.32 0.00 -0.37 -4.71 105.19 112.80 1wt5 n GLY 100 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1wt5 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wt5 n GLY 101 N 0.63 1.00 0.00 -0.02 0.00 -1.26 -4.38 105.19 101.15 1wt5 n GLY 101 Ca 0.25 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1wt5 n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wt5 n PRO 102 N 0.00 0.12 -4.22 1.61 -0.04 -1.26 -4.69 135.00 126.52 1wt5 n PRO 102 Ca 0.00 0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.47 1wt5 n PRO 102 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1wt5 n PRO 102 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1wt5 s TYR 103 N -2.76 1.03 0.05 0.54 -0.85 -1.26 -5.10 117.35 109.01 1wt5 s TYR 103 Ca 0.11 -0.39 -0.20 0.00 -0.52 0.00 0.00 57.07 56.07 1wt5 s TYR 103 Cb 0.10 -0.61 -0.12 0.00 0.38 0.00 0.00 41.96 41.71 1wt5 s TYR 103 CO 0.25 0.01 1.39 0.74 -1.52 0.00 0.00 175.55 176.42 1wt5 h PHE 104 N 4.74 0.46 -3.08 -3.49 -1.00 -1.92 -0.97 116.94 111.68 1wt5 h PHE 104 Ca -0.37 -0.12 -0.62 0.00 2.81 0.00 0.00 57.97 59.66 1wt5 h PHE 104 Cb 1.19 -0.10 -0.41 0.00 3.61 0.00 0.00 35.95 40.24 1wt5 h PHE 104 CO 0.58 0.72 -0.68 -0.06 -1.61 0.00 0.00 178.31 177.26 1wt5 s PHE 105 N -4.49 2.69 0.00 -0.55 2.99 -1.26 -3.34 117.98 114.02 1wt5 s PHE 105 Ca -0.14 -2.89 -0.23 0.00 0.00 0.00 0.00 56.93 53.67 1wt5 s PHE 105 Cb 0.06 -2.31 -0.13 0.00 0.00 0.00 0.00 43.02 40.64 1wt5 s PHE 105 CO 0.76 -0.71 1.00 0.22 -0.00 0.00 0.00 175.22 176.49 1wt5 h ASP 106 N 6.23 -0.71 -4.29 1.36 -0.00 -1.23 -3.46 116.42 114.32 1wt5 h ASP 106 Ca 0.03 0.02 -0.68 0.00 -0.00 0.00 0.00 57.03 56.41 1wt5 h ASP 106 Cb 0.87 0.18 -0.26 0.00 -0.00 0.00 0.00 39.33 40.12 1wt5 h ASP 106 CO 0.60 -0.35 -0.87 -0.31 -0.00 0.00 0.00 179.24 178.31 1wt5 s TYR 107 N -4.32 2.24 0.13 0.28 1.51 -1.24 -5.01 117.35 110.93 1wt5 s TYR 107 Ca -0.12 -0.41 0.10 0.00 -1.01 0.00 0.00 57.07 55.63 1wt5 s TYR 107 Cb 0.01 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1wt5 s TYR 107 CO 0.37 0.13 -0.21 -1.58 -1.11 0.00 0.00 175.55 173.15 1wt5 s TRP 108 N -0.81 2.46 0.98 2.71 0.52 -1.26 -1.79 118.94 121.74 1wt5 s TRP 108 Ca 0.11 -0.30 -0.15 0.00 0.02 0.00 0.00 56.10 55.78 1wt5 s TRP 108 Cb -0.10 -1.30 0.19 0.00 -1.15 0.00 0.00 33.47 31.10 1wt5 s TRP 108 CO 0.02 0.38 1.21 0.20 0.02 0.00 0.00 176.95 178.78 1wt5 s GLY 109 N -2.16 1.66 0.02 0.98 0.00 -0.72 -4.40 107.32 102.70 1wt5 s GLY 109 Ca 0.17 -0.90 0.23 0.00 0.00 0.00 0.00 44.72 44.22 1wt5 s GLY 109 CO 0.09 -0.19 1.73 0.61 0.00 0.00 0.00 173.10 175.33 1wt5 n GLN 110 N -3.92 0.02 0.00 2.90 0.00 -1.23 -4.84 117.38 110.31 1wt5 n GLN 110 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 57.00 57.24 1wt5 n GLN 110 Cb 0.60 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.31 1wt5 n GLN 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1wt5 n GLY 111 N 0.84 1.44 3.07 2.61 0.00 -1.26 -5.03 105.19 106.86 1wt5 n GLY 111 Ca 0.05 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1wt5 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wt5 s THR 112 N -1.72 1.87 -0.02 2.61 2.01 0.22 -4.89 115.64 115.72 1wt5 s THR 112 Ca 0.00 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 1wt5 s THR 112 Cb 0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1wt5 s THR 112 CO 0.00 0.43 0.97 -0.22 -0.69 0.00 0.00 174.62 175.11 1wt5 s LEU 113 N 1.35 4.35 -0.10 4.42 2.96 -1.26 0.19 118.68 130.59 1wt5 s LEU 113 Ca 0.03 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 1wt5 s LEU 113 Cb -0.14 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1wt5 s LEU 113 CO -0.11 -0.28 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.86 1wt5 s VAL 114 N 1.13 1.09 0.00 1.68 1.01 -0.47 0.12 120.40 124.96 1wt5 s VAL 114 Ca 0.51 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1wt5 s VAL 114 Cb -0.20 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1wt5 s VAL 114 CO 0.26 0.37 0.26 0.35 0.00 0.00 0.00 175.10 176.35