#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln s SER 2 N 0.00 6.84 0.81 1.61 0.15 -1.26 -5.08 113.70 116.77 1wln s SER 2 Ca 0.00 1.00 -0.11 0.00 0.70 0.00 0.00 55.95 57.53 1wln s SER 2 Cb 0.00 -2.28 0.09 0.00 -1.71 0.00 0.00 66.02 62.11 1wln s SER 2 CO 0.00 0.23 1.17 -0.94 1.20 0.00 0.00 173.24 174.90 1wln s SER 3 N -0.66 4.41 0.02 5.45 1.04 -1.26 -5.09 113.70 117.62 1wln s SER 3 Ca 0.25 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 57.35 1wln s SER 3 Cb -0.17 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.81 1wln s SER 3 CO 0.14 -1.94 0.05 0.61 0.98 0.00 0.00 173.24 173.07 1wln n GLY 4 N -3.30 1.94 2.41 7.32 0.00 -1.26 -5.03 105.19 107.28 1wln n GLY 4 Ca 0.09 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 1wln n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wln n SER 5 N -1.04 1.49 -3.65 1.61 7.64 -1.26 -5.16 113.62 113.24 1wln n SER 5 Ca -0.01 -2.54 -0.04 0.00 1.01 0.00 0.00 58.87 57.29 1wln n SER 5 Cb 0.04 0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.82 1wln n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wln s SER 6 N -2.81 -0.83 0.00 6.43 0.15 -1.26 -5.04 113.70 110.33 1wln s SER 6 Ca 0.12 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1wln s SER 6 Cb 0.01 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 1wln s SER 6 CO 0.08 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1wln n GLY 7 N 5.39 2.01 0.20 9.45 0.00 -1.26 -5.01 105.19 115.97 1wln n GLY 7 Ca -0.11 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1wln n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln h PRO 8 N 0.00 0.00 -0.12 1.61 0.13 -2.01 -2.60 132.00 129.01 1wln h PRO 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wln h PRO 8 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wln h PRO 8 CO 0.00 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.92 1wln n GLU 9 N -2.77 1.51 -1.79 0.86 0.28 -1.26 -3.52 120.64 113.95 1wln n GLU 9 Ca 0.03 -0.77 -0.12 0.00 -0.16 0.00 0.00 57.16 56.14 1wln n GLU 9 Cb 0.38 -1.35 0.07 0.00 1.43 0.00 0.00 31.44 31.97 1wln n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wln n LYS 10 N 0.00 2.63 -4.10 3.44 5.02 -0.98 -4.79 118.16 119.38 1wln n LYS 10 Ca 0.15 -3.73 -0.35 0.00 -2.02 0.00 0.00 58.31 52.35 1wln n LYS 10 Cb 0.25 -1.88 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wln s LEU 11 N -3.32 3.87 0.29 -0.35 1.43 -1.23 -3.41 118.68 115.96 1wln s LEU 11 Ca 0.43 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 1wln s LEU 11 Cb 0.39 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 1wln s LEU 11 CO -0.01 0.30 1.08 -2.16 0.23 0.00 0.00 176.35 175.79 1wln s PRO 12 N -0.40 4.61 0.18 1.29 0.04 -1.25 -4.22 135.00 135.25 1wln s PRO 12 Ca 0.09 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.89 1wln s PRO 12 Cb -0.12 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 1wln s PRO 12 CO 0.02 0.20 0.01 1.52 0.04 0.00 0.00 177.00 178.79 1wln s TYR 13 N -1.22 1.25 -0.32 0.56 -0.85 -0.34 0.19 117.35 116.61 1wln s TYR 13 Ca 0.46 -1.04 -0.02 0.00 -0.52 0.00 0.00 57.07 55.94 1wln s TYR 13 Cb -0.30 -0.71 0.06 0.00 0.38 0.00 0.00 41.96 41.38 1wln s TYR 13 CO 0.38 -0.23 0.03 -0.51 -1.52 0.00 0.00 175.55 173.71 1wln s LEU 14 N -3.19 4.12 -0.37 -3.49 1.43 0.66 -0.27 118.68 117.57 1wln s LEU 14 Ca 0.26 -1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 51.79 1wln s LEU 14 Cb 0.06 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1wln s LEU 14 CO 0.05 -0.30 0.58 0.54 0.23 0.00 0.00 176.35 177.45 1wln s VAL 15 N 1.24 4.94 0.08 -1.59 0.11 0.58 -2.08 120.40 123.67 1wln s VAL 15 Ca -0.03 0.35 -0.35 0.00 -2.93 0.00 0.00 61.98 59.02 1wln s VAL 15 Cb -0.20 -4.06 -0.15 0.00 -1.53 0.00 0.00 36.38 30.44 1wln s VAL 15 CO -0.01 -0.34 1.52 1.21 -3.33 0.00 0.00 175.10 174.15 1wln n GLU 16 N 5.95 1.67 -4.02 1.54 2.13 -1.05 -0.66 120.64 126.21 1wln n GLU 16 Ca -0.03 0.60 -0.22 0.00 0.66 0.00 0.00 57.16 58.17 1wln n GLU 16 Cb 0.48 -2.32 -0.05 0.00 0.27 0.00 0.00 31.44 29.82 1wln n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wln s LEU 17 N 1.17 3.43 1.30 4.31 1.43 0.17 -4.63 118.68 125.87 1wln s LEU 17 Ca 0.84 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.15 1wln s LEU 17 Cb -0.82 -1.97 0.32 0.00 0.03 0.00 0.00 46.19 43.75 1wln s LEU 17 CO 0.45 -0.26 0.87 -0.24 0.23 0.00 0.00 176.35 177.39 1wln n SER 18 N -1.21 -2.86 0.00 2.29 2.88 0.41 -4.35 113.62 110.78 1wln n SER 18 Ca -0.03 -0.47 0.11 0.00 -1.33 0.00 0.00 58.87 57.14 1wln n SER 18 Cb 0.60 -1.12 0.64 0.00 -0.75 0.00 0.00 64.21 63.58 1wln n SER 18 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1wln n PRO 19 N -5.05 0.75 -0.25 -1.46 -0.04 -1.26 -2.08 135.00 125.60 1wln n PRO 19 Ca 0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1wln n PRO 19 Cb 0.56 -1.45 0.13 0.00 -0.04 0.00 0.00 33.50 32.70 1wln n PRO 19 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wln n ASP 20 N -0.95 1.92 -3.10 3.54 8.00 -1.26 -4.97 116.55 119.72 1wln n ASP 20 Ca 0.16 -3.05 -0.16 0.00 0.71 0.00 0.00 54.79 52.45 1wln n ASP 20 Cb 0.07 -0.41 0.08 0.00 -0.02 0.00 0.00 41.12 40.84 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wln n GLY 21 N -1.15 -0.27 3.47 0.44 0.00 -0.88 -5.02 105.19 101.77 1wln n GLY 21 Ca 0.14 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1wln n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 22 N -3.95 3.21 0.00 1.61 0.01 -1.26 -4.85 113.70 108.47 1wln s SER 22 Ca 0.12 -1.15 0.23 0.00 1.31 0.00 0.00 55.95 56.46 1wln s SER 22 Cb -0.05 -0.25 0.29 0.00 0.21 0.00 0.00 66.02 66.22 1wln s SER 22 CO 0.63 -0.21 1.31 -0.90 0.41 0.00 0.00 173.24 174.47 1wln n ASP 23 N -0.64 3.18 -0.69 2.44 5.75 -1.26 0.16 116.55 125.49 1wln n ASP 23 Ca -0.05 -1.98 0.09 0.00 -0.01 0.00 0.00 54.79 52.83 1wln n ASP 23 Cb 0.63 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.58 1wln n ASP 23 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1wln n SER 24 N 1.39 -4.08 -2.07 -1.12 2.88 -1.26 -4.03 113.62 105.33 1wln n SER 24 Ca 0.16 0.70 -0.10 0.00 -1.33 0.00 0.00 58.87 58.30 1wln n SER 24 Cb 0.59 -2.19 0.28 0.00 -0.75 0.00 0.00 64.21 62.14 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wln n ARG 25 N -2.21 3.48 -3.53 -1.46 1.74 -1.26 -4.93 116.66 108.49 1wln n ARG 25 Ca 0.00 -3.06 -0.17 0.00 -0.77 0.00 0.00 57.85 53.85 1wln n ARG 25 Cb 0.29 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.46 29.48 1wln n ARG 25 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wln n ASP 26 N -0.32 1.82 -4.26 0.55 8.00 -1.26 -5.11 116.55 115.97 1wln n ASP 26 Ca 0.45 -2.34 -0.40 0.00 0.71 0.00 0.00 54.79 53.21 1wln n ASP 26 Cb 1.45 0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 42.92 1wln n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wln s LYS 27 N -3.02 2.58 0.80 -1.24 1.02 -1.26 -5.05 119.74 113.58 1wln s LYS 27 Ca 0.08 -1.48 -0.11 0.00 0.02 0.00 0.00 55.97 54.47 1wln s LYS 27 Cb 0.00 -3.78 0.07 0.00 -0.52 0.00 0.00 37.83 33.60 1wln s LYS 27 CO 0.05 -0.97 1.10 -1.25 -0.92 0.00 0.00 175.35 173.36 1wln s PRO 28 N 1.42 2.10 0.71 -1.68 0.04 -1.26 -5.02 135.00 131.31 1wln s PRO 28 Ca 0.03 0.65 -0.14 0.00 0.04 0.00 0.00 61.00 61.58 1wln s PRO 28 Cb -0.23 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.42 1wln s PRO 28 CO 0.02 -1.61 1.14 0.15 0.04 0.00 0.00 177.00 176.74 1wln s LYS 29 N -5.15 2.41 -0.10 4.56 1.02 -1.26 -4.84 119.74 116.38 1wln s LYS 29 Ca 0.61 1.50 0.02 0.00 0.02 0.00 0.00 55.97 58.11 1wln s LYS 29 Cb -0.14 -1.89 0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1wln s LYS 29 CO 0.54 -1.57 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.10 1wln s LEU 30 N -5.18 1.61 -0.38 3.17 2.96 -1.26 -2.53 118.68 117.07 1wln s LEU 30 Ca 0.69 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1wln s LEU 30 Cb -0.23 -0.97 0.09 0.00 0.50 0.00 0.00 46.19 45.58 1wln s LEU 30 CO 0.45 -0.00 0.16 -0.31 -1.32 0.00 0.00 176.35 175.33 1wln s TYR 31 N 1.00 3.47 0.25 5.38 2.02 -0.88 -4.92 117.35 123.68 1wln s TYR 31 Ca -0.07 -2.15 -0.30 0.00 -0.37 0.00 0.00 57.07 54.19 1wln s TYR 31 Cb -0.15 -2.90 -0.09 0.00 -0.40 0.00 0.00 41.96 38.42 1wln s TYR 31 CO -0.01 -0.91 1.14 1.03 -1.57 0.00 0.00 175.55 175.23 1wln s ARG 32 N 1.21 4.58 -0.47 -0.62 0.52 -1.26 -0.25 118.95 122.66 1wln s ARG 32 Ca 0.04 1.84 -0.12 0.00 -0.52 0.00 0.00 55.73 56.97 1wln s ARG 32 Cb -0.22 -3.20 0.10 0.00 0.52 0.00 0.00 34.95 32.15 1wln s ARG 32 CO -0.02 0.10 0.36 -0.51 0.02 0.00 0.00 175.30 175.25 1wln s LEU 33 N -1.10 5.63 1.17 2.53 1.43 0.13 -4.95 118.68 123.53 1wln s LEU 33 Ca 0.47 -1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 51.75 1wln s LEU 33 Cb -0.32 -2.08 0.27 0.00 0.03 0.00 0.00 46.19 44.08 1wln s LEU 33 CO 0.40 -0.67 1.11 -1.10 0.23 0.00 0.00 176.35 176.32 1wln s GLN 34 N 1.49 -0.98 0.83 1.70 -1.52 -1.26 -4.42 119.66 115.49 1wln s GLN 34 Ca 0.04 0.00 -0.10 0.00 -1.95 0.00 0.00 55.36 53.35 1wln s GLN 34 Cb -0.26 -1.62 0.09 0.00 -0.22 0.00 0.00 33.01 31.01 1wln s GLN 34 CO 0.02 -3.57 1.11 -0.51 -0.25 0.00 0.00 175.29 172.10 1wln s LEU 35 N -6.86 2.94 0.00 2.90 2.01 -1.26 -4.41 118.68 114.00 1wln s LEU 35 Ca 0.70 1.95 0.00 0.00 0.01 0.00 0.00 54.13 56.79 1wln s LEU 35 Cb -0.11 -4.52 0.00 0.00 0.01 0.00 0.00 46.19 41.57 1wln s LEU 35 CO 0.56 -2.44 0.00 -1.54 1.01 0.00 0.00 176.35 173.94 1wln n SER 36 N -3.79 0.00 -4.58 2.29 3.41 -1.23 -4.88 113.62 104.83 1wln n SER 36 Ca 0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.42 1wln n SER 36 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 1wln n SER 36 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wln s VAL 37 N 0.00 3.37 -0.30 -3.33 0.11 -1.26 -1.20 120.40 117.80 1wln s VAL 37 Ca 0.00 -1.37 -0.02 0.00 -2.93 0.00 0.00 61.98 57.67 1wln s VAL 37 Cb 0.00 -2.61 0.10 0.00 -1.53 0.00 0.00 36.38 32.34 1wln s VAL 37 CO 0.00 0.04 0.10 -0.89 -3.33 0.00 0.00 175.10 171.02 1wln s THR 38 N -1.37 0.65 0.05 5.04 2.01 0.19 -4.87 115.64 117.34 1wln s THR 38 Ca 0.23 -1.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.73 1wln s THR 38 Cb -0.10 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 1wln s THR 38 CO 0.15 -0.65 1.28 -1.61 -0.69 0.00 0.00 174.62 173.10 1wln s GLU 39 N 1.74 4.37 0.40 4.92 8.01 -1.26 0.34 118.70 137.21 1wln s GLU 39 Ca 0.09 1.86 0.08 0.00 0.01 0.00 0.00 54.97 57.01 1wln s GLU 39 Cb -0.17 -3.39 -0.02 0.00 -4.31 0.00 0.00 34.13 26.24 1wln s GLU 39 CO -0.26 -0.38 0.39 0.08 0.01 0.00 0.00 175.26 175.10 1wln s VAL 40 N 1.45 2.95 -2.83 2.63 1.01 0.49 -2.90 120.40 123.20 1wln s VAL 40 Ca 0.61 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1wln s VAL 40 Cb -0.31 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1wln s VAL 40 CO 0.28 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1wln n GLY 41 N -1.55 0.53 0.00 4.51 0.00 -0.91 -1.26 105.19 106.52 1wln n GLY 41 Ca 0.03 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.36 1wln n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 42 N 5.10 0.00 -3.55 2.61 -2.24 -0.44 0.17 114.28 115.93 1wln n THR 42 Ca 0.00 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1wln n THR 42 Cb 0.00 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1wln n THR 42 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wln s GLU 43 N -2.68 3.51 -0.17 -0.78 0.41 -1.19 -4.88 118.70 112.92 1wln s GLU 43 Ca 0.01 -0.33 -0.08 0.00 -0.41 0.00 0.00 54.97 54.16 1wln s GLU 43 Cb 0.11 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 1wln s GLU 43 CO 0.62 0.28 0.09 0.21 -0.49 0.00 0.00 175.26 175.97 1wln s LYS 44 N -3.80 3.86 0.09 1.61 2.36 -1.26 -4.86 119.74 117.73 1wln s LYS 44 Ca 0.39 -0.28 0.00 0.00 -2.55 0.00 0.00 55.97 53.53 1wln s LYS 44 Cb -0.10 -3.23 0.00 0.00 -1.05 0.00 0.00 37.83 33.45 1wln s LYS 44 CO 0.32 0.40 0.00 1.19 1.55 0.00 0.00 175.35 178.81 1wln n PHE 45 N 3.14 -0.27 -2.29 4.03 3.01 -1.26 -5.10 117.46 118.71 1wln n PHE 45 Ca -0.17 0.05 -0.03 0.00 1.01 0.00 0.00 57.45 58.31 1wln n PHE 45 Cb 0.53 0.08 0.02 0.00 -0.01 0.00 0.00 39.48 40.09 1wln n PHE 45 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1wln n ASP 46 N -3.23 0.18 0.07 4.37 9.92 -1.26 -5.02 116.55 121.57 1wln n ASP 46 Ca 0.00 -1.15 -0.18 0.00 -0.53 0.00 0.00 54.79 52.94 1wln n ASP 46 Cb 0.00 -0.08 -0.14 0.00 -0.64 0.00 0.00 41.12 40.25 1wln n ASP 46 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wln h ASP 47 N -0.08 0.43 -2.28 -2.24 1.82 -1.99 -3.37 116.42 108.72 1wln h ASP 47 Ca -0.04 -0.58 -0.60 0.00 -0.39 0.00 0.00 57.03 55.41 1wln h ASP 47 Cb 0.16 -0.14 -0.41 0.00 0.68 0.00 0.00 39.33 39.62 1wln h ASP 47 CO 0.05 1.48 -0.54 0.59 -1.61 0.00 0.00 179.24 179.20 1wln n ASN 48 N -3.48 4.57 -4.95 2.28 4.13 -1.26 -5.06 115.26 111.50 1wln n ASN 48 Ca -0.16 -3.66 -0.23 0.00 1.68 0.00 0.00 54.58 52.20 1wln n ASN 48 Cb 1.05 -0.61 -0.01 0.00 -1.54 0.00 0.00 39.78 38.67 1wln n ASN 48 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wln s SER 49 N -3.25 6.27 -0.20 6.41 1.04 -1.26 -4.81 113.70 117.90 1wln s SER 49 Ca 0.47 0.40 -0.18 0.00 0.48 0.00 0.00 55.95 57.12 1wln s SER 49 Cb 0.26 -1.98 -0.03 0.00 0.10 0.00 0.00 66.02 64.36 1wln s SER 49 CO -0.12 -0.30 0.51 -0.63 0.98 0.00 0.00 173.24 173.68 1wln s ILE 50 N -2.30 5.11 -0.28 -1.02 1.01 -1.14 -5.04 121.20 117.55 1wln s ILE 50 Ca 0.40 0.94 -0.03 0.00 0.00 0.00 0.00 60.65 61.96 1wln s ILE 50 Cb -0.10 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.57 1wln s ILE 50 CO 0.35 0.19 -0.01 -1.58 0.00 0.00 0.00 174.94 173.90 1wln s GLN 51 N 1.58 2.79 0.14 2.79 0.74 -1.26 -2.13 119.66 124.31 1wln s GLN 51 Ca 0.24 -1.02 0.08 0.00 0.05 0.00 0.00 55.36 54.70 1wln s GLN 51 Cb -0.15 -3.15 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 1wln s GLN 51 CO 0.10 -0.47 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.75 1wln s LEU 52 N 1.35 3.00 -0.08 3.68 1.43 0.45 -4.96 118.68 123.55 1wln s LEU 52 Ca -0.01 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1wln s LEU 52 Cb -0.18 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1wln s LEU 52 CO -0.02 0.14 -0.01 -0.36 0.23 0.00 0.00 176.35 176.33 1wln s PHE 53 N -1.42 0.82 -0.08 0.29 0.08 -1.26 -3.77 117.98 112.64 1wln s PHE 53 Ca 0.23 -0.28 -0.32 0.00 0.12 0.00 0.00 56.93 56.68 1wln s PHE 53 Cb -0.10 -0.88 0.12 0.00 -0.57 0.00 0.00 43.02 41.59 1wln s PHE 53 CO 0.14 -0.36 1.04 0.20 -0.10 0.00 0.00 175.22 176.14 1wln s GLY 54 N 1.90 -0.38 -0.65 4.36 0.00 -1.26 -4.98 107.32 106.31 1wln s GLY 54 Ca 0.05 1.25 -0.27 0.00 0.00 0.00 0.00 44.72 45.75 1wln s GLY 54 CO -0.06 0.41 1.54 2.56 0.00 0.00 0.00 173.10 177.56 1wln s PRO 55 N -2.80 2.99 0.00 2.90 0.04 -1.26 -2.21 135.00 134.67 1wln s PRO 55 Ca 0.07 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1wln s PRO 55 Cb -0.01 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1wln s PRO 55 CO -0.07 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.05 1wln n GLY 56 N 5.48 0.87 3.88 0.56 0.00 -1.26 -4.82 105.19 109.91 1wln n GLY 56 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1wln n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wln s ILE 57 N -1.70 4.91 0.51 -0.61 -1.09 -0.94 -4.80 121.20 117.49 1wln s ILE 57 Ca 0.00 0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.86 1wln s ILE 57 Cb 0.00 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1wln s ILE 57 CO 0.00 -0.25 0.19 -1.10 -1.23 0.00 0.00 174.94 172.56 1wln s GLN 58 N -3.26 2.22 -0.07 2.79 -1.52 -1.26 -4.95 119.66 113.60 1wln s GLN 58 Ca 0.48 -2.18 -0.19 0.00 -1.95 0.00 0.00 55.36 51.51 1wln s GLN 58 Cb -0.11 -1.82 -0.15 0.00 -0.22 0.00 0.00 33.01 30.71 1wln s GLN 58 CO 0.26 -0.45 0.73 -1.00 -0.25 0.00 0.00 175.29 174.58 1wln h PRO 59 N 1.10 -0.15 -3.25 2.91 0.13 -1.93 -1.16 132.00 129.65 1wln h PRO 59 Ca -0.41 0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 63.99 1wln h PRO 59 Cb 1.30 0.03 -0.32 0.00 0.13 0.00 0.00 31.00 32.15 1wln h PRO 59 CO 0.66 0.30 0.19 1.58 -0.23 0.00 0.00 178.00 180.51 1wln n HIS 60 N -4.86 4.22 0.06 1.56 -0.00 -1.26 -3.01 115.22 111.94 1wln n HIS 60 Ca -0.07 -3.82 -0.02 0.00 0.46 0.00 0.00 57.72 54.27 1wln n HIS 60 Cb 0.26 -1.30 -0.01 0.00 -0.12 0.00 0.00 29.99 28.82 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1wln h HIS 61 N 5.98 -0.14 -3.27 1.57 2.76 -1.37 -3.05 115.15 117.62 1wln h HIS 61 Ca 0.18 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1wln h HIS 61 Cb 0.79 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.73 1wln h HIS 61 CO 0.78 -0.09 0.10 0.00 -1.30 0.00 0.00 177.93 177.42 1wln s ASP 63 N -2.98 2.24 -0.34 0.00 1.47 0.40 0.18 116.67 117.65 1wln s ASP 63 Ca 0.16 -0.38 -0.20 0.00 1.18 0.00 0.00 52.55 53.31 1wln s ASP 63 Cb -0.04 -1.00 -0.00 0.00 -0.34 0.00 0.00 42.92 41.54 1wln s ASP 63 CO 0.09 0.01 0.61 -0.76 0.68 0.00 0.00 175.17 175.80 1wln s LEU 64 N 0.95 4.22 -0.48 2.11 2.01 0.15 -2.49 118.68 125.16 1wln s LEU 64 Ca -0.08 0.23 -0.12 0.00 0.01 0.00 0.00 54.13 54.16 1wln s LEU 64 Cb -0.15 -2.76 0.10 0.00 0.01 0.00 0.00 46.19 43.39 1wln s LEU 64 CO -0.00 -0.53 0.38 -0.89 1.01 0.00 0.00 176.35 176.31 1wln s THR 65 N 2.62 4.71 -0.54 5.49 2.01 -1.21 0.57 115.64 129.29 1wln s THR 65 Ca 0.24 -1.46 -0.24 0.00 0.31 0.00 0.00 61.69 60.53 1wln s THR 65 Cb -0.15 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1wln s THR 65 CO 0.13 -0.70 0.96 0.21 -0.69 0.00 0.00 174.62 174.53 1wln s ASN 66 N 2.78 6.36 -0.19 3.53 2.47 -0.34 -2.91 114.94 126.65 1wln s ASN 66 Ca 0.04 -0.28 0.01 0.00 0.42 0.00 0.00 52.86 53.04 1wln s ASN 66 Cb -0.26 -2.44 0.02 0.00 -1.45 0.00 0.00 41.25 37.12 1wln s ASN 66 CO 0.03 -1.23 -0.18 -0.04 -3.72 0.00 0.00 177.10 171.96 1wln s MET 67 N 3.99 2.95 -1.55 0.43 -1.94 0.56 -3.54 119.30 120.20 1wln s MET 67 Ca 0.32 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.44 1wln s MET 67 Cb -0.12 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 34.09 1wln s MET 67 CO 0.20 -0.24 0.00 -0.25 -0.01 0.00 0.00 175.02 174.72 1wln n ASP 68 N 4.62 -4.92 0.00 3.03 9.92 -1.26 0.26 116.55 128.20 1wln n ASP 68 Ca -0.20 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1wln n ASP 68 Cb 0.49 -4.08 0.00 0.00 -0.64 0.00 0.00 41.12 36.89 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wln n GLY 69 N -0.09 2.27 3.76 0.44 0.00 -1.26 -4.76 105.19 105.54 1wln n GLY 69 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1wln n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wln s VAL 70 N -2.40 3.52 0.11 1.61 1.01 0.14 -4.75 120.40 119.65 1wln s VAL 70 Ca 0.00 1.48 0.10 0.00 0.00 0.00 0.00 61.98 63.56 1wln s VAL 70 Cb 0.00 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1wln s VAL 70 CO 0.00 0.31 -0.25 -0.69 0.00 0.00 0.00 175.10 174.48 1wln s VAL 71 N -1.23 2.06 -0.05 2.92 1.01 -1.26 0.21 120.40 124.06 1wln s VAL 71 Ca 0.46 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1wln s VAL 71 Cb -0.31 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.27 1wln s VAL 71 CO 0.39 0.07 0.03 0.42 0.00 0.00 0.00 175.10 176.01 1wln s THR 72 N -1.06 0.12 -0.01 3.92 -4.23 -1.14 -1.19 115.64 112.05 1wln s THR 72 Ca 0.11 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.60 1wln s THR 72 Cb -0.10 -0.33 -0.05 0.00 1.34 0.00 0.00 72.50 73.35 1wln s THR 72 CO 0.05 0.22 1.37 0.54 -0.54 0.00 0.00 174.62 176.26 1wln s VAL 73 N 2.07 3.78 -0.30 2.29 0.11 0.39 -3.28 120.40 125.45 1wln s VAL 73 Ca 0.05 1.16 0.02 0.00 -2.93 0.00 0.00 61.98 60.27 1wln s VAL 73 Cb -0.12 -3.74 0.09 0.00 -1.53 0.00 0.00 36.38 31.07 1wln s VAL 73 CO -0.04 -0.00 0.03 -0.89 -3.33 0.00 0.00 175.10 170.87 1wln s THR 74 N 2.37 1.71 -0.11 5.04 2.01 -1.04 -1.45 115.64 124.16 1wln s THR 74 Ca 0.63 -1.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1wln s THR 74 Cb -0.31 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 1wln s THR 74 CO 0.26 -0.49 1.25 -2.16 -0.69 0.00 0.00 174.62 172.79 1wln s PRO 75 N 1.22 4.28 -0.21 4.92 0.04 -1.26 -0.45 135.00 143.54 1wln s PRO 75 Ca 0.06 1.69 0.12 0.00 0.04 0.00 0.00 61.00 62.91 1wln s PRO 75 Cb -0.18 -3.67 0.44 0.00 0.04 0.00 0.00 34.50 31.12 1wln s PRO 75 CO -0.12 -0.59 1.20 0.54 0.04 0.00 0.00 177.00 178.06 1wln n ARG 76 N 5.96 2.04 -4.36 4.56 5.12 -0.48 -4.95 116.66 124.56 1wln n ARG 76 Ca 0.13 -3.44 -0.18 0.00 -1.93 0.00 0.00 57.85 52.42 1wln n ARG 76 Cb 0.45 -1.63 -0.14 0.00 -1.16 0.00 0.00 32.46 29.97 1wln n ARG 76 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wln s SER 77 N -3.25 1.09 -1.27 0.55 0.01 -1.15 -4.79 113.70 104.89 1wln s SER 77 Ca 0.41 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.42 1wln s SER 77 Cb 0.38 -0.11 0.16 0.00 0.21 0.00 0.00 66.02 66.66 1wln s SER 77 CO -0.05 0.09 2.23 1.15 0.41 0.00 0.00 173.24 177.08 1wln n MET 78 N 2.74 4.62 0.00 12.44 0.00 -1.26 -3.76 117.12 131.91 1wln n MET 78 Ca -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 57.70 53.88 1wln n MET 78 Cb 0.57 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 31.15 1wln n MET 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1wln n ASP 79 N 1.67 0.00 -4.59 3.17 8.00 -1.26 -5.10 116.55 118.44 1wln n ASP 79 Ca 0.57 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.65 1wln n ASP 79 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1wln n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wln n ALA 80 N 0.00 1.61 -2.68 2.24 0.00 -1.25 -4.92 120.51 115.52 1wln n ALA 80 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 1wln n ALA 80 Cb 0.00 -2.97 -0.05 0.00 0.00 0.00 0.00 19.45 16.43 1wln n ALA 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wln s GLU 81 N 6.72 4.31 -0.27 0.00 8.01 -1.26 -4.86 118.70 131.34 1wln s GLU 81 Ca 1.01 0.85 0.00 0.00 0.01 0.00 0.00 54.97 56.85 1wln s GLU 81 Cb -0.31 -3.54 0.08 0.00 -4.31 0.00 0.00 34.13 26.05 1wln s GLU 81 CO 0.34 -0.19 0.02 0.99 0.01 0.00 0.00 175.26 176.42 1wln s THR 82 N 1.71 1.35 -0.27 3.63 2.01 -1.26 -1.63 115.64 121.19 1wln s THR 82 Ca 0.35 -1.40 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 1wln s THR 82 Cb -0.17 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 1wln s THR 82 CO 0.13 -0.38 0.05 -0.31 -0.69 0.00 0.00 174.62 173.43 1wln s TYR 83 N 1.43 3.09 -0.88 4.92 2.02 -1.07 -2.09 117.35 124.78 1wln s TYR 83 Ca 0.02 -0.83 -0.20 0.00 -0.37 0.00 0.00 57.07 55.69 1wln s TYR 83 Cb -0.18 -2.22 0.10 0.00 -0.40 0.00 0.00 41.96 39.26 1wln s TYR 83 CO -0.12 -0.51 1.14 0.08 -1.57 0.00 0.00 175.55 174.56 1wln s VAL 84 N 1.52 4.50 -0.94 0.71 1.01 0.49 -1.90 120.40 125.80 1wln s VAL 84 Ca 0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 1wln s VAL 84 Cb -0.16 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.42 1wln s VAL 84 CO 0.02 -1.56 0.80 0.47 0.00 0.00 0.00 175.10 174.82 1wln n ASP 85 N 7.19 -3.68 -0.27 3.32 8.00 -1.05 -2.70 116.55 127.37 1wln n ASP 85 Ca 0.19 -0.42 -0.02 0.00 0.71 0.00 0.00 54.79 55.24 1wln n ASP 85 Cb 0.49 -3.85 -0.00 0.00 -0.02 0.00 0.00 41.12 37.73 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wln n GLY 86 N -1.36 0.31 2.67 0.44 0.00 -1.26 -4.99 105.19 100.99 1wln n GLY 86 Ca -0.10 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 1wln n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wln s GLN 87 N -3.87 0.44 0.58 1.61 -0.21 -1.10 -5.07 119.66 112.05 1wln s GLN 87 Ca 0.00 -0.50 -0.18 0.00 0.02 0.00 0.00 55.36 54.70 1wln s GLN 87 Cb 0.00 -1.82 -0.04 0.00 1.00 0.00 0.00 33.01 32.15 1wln s GLN 87 CO 0.00 -0.80 1.15 0.50 -2.12 0.00 0.00 175.29 174.02 1wln s ARG 88 N 1.92 3.13 0.24 2.91 3.52 -1.26 0.18 118.95 129.60 1wln s ARG 88 Ca 0.04 1.63 0.10 0.00 -0.13 0.00 0.00 55.73 57.37 1wln s ARG 88 Cb -0.17 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 1wln s ARG 88 CO -0.18 -1.03 -0.09 0.96 -0.81 0.00 0.00 175.30 174.15 1wln s ILE 89 N -1.84 3.09 0.00 4.11 -4.36 -0.89 -4.85 121.20 116.47 1wln s ILE 89 Ca 0.73 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 1wln s ILE 89 Cb -0.25 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1wln s ILE 89 CO 0.31 -0.30 0.60 -1.20 0.24 0.00 0.00 174.94 174.60 1wln n SER 90 N -0.52 0.79 -3.39 4.36 7.64 -1.26 -4.86 113.62 116.38 1wln n SER 90 Ca -0.08 -1.34 0.01 0.00 1.01 0.00 0.00 58.87 58.48 1wln n SER 90 Cb 0.58 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1wln n SER 90 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wln n GLU 91 N -0.17 0.24 -1.49 1.43 0.28 -1.26 -5.02 120.64 114.65 1wln n GLU 91 Ca 0.00 -0.80 -0.43 0.00 -0.16 0.00 0.00 57.16 55.77 1wln n GLU 91 Cb 0.33 1.24 -0.08 0.00 1.43 0.00 0.00 31.44 34.35 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1wln n THR 92 N -0.77 0.03 -4.45 3.84 -1.04 -1.25 -4.74 114.28 105.90 1wln n THR 92 Ca 0.03 -0.35 -0.34 0.00 -2.04 0.00 0.00 64.05 61.35 1wln n THR 92 Cb 0.51 -1.63 -0.15 0.00 -1.82 0.00 0.00 70.33 67.25 1wln n THR 92 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wln s THR 93 N 9.47 2.97 0.50 12.58 2.01 -0.53 -4.92 115.64 137.73 1wln s THR 93 Ca 1.15 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 62.25 1wln s THR 93 Cb -0.78 -2.28 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 1wln s THR 93 CO 0.42 0.50 1.33 -0.32 -0.69 0.00 0.00 174.62 175.86 1wln s MET 94 N 0.81 3.41 0.04 4.92 1.75 -1.26 -0.47 119.30 128.50 1wln s MET 94 Ca -0.04 2.19 0.05 0.00 -1.25 0.00 0.00 55.69 56.63 1wln s MET 94 Cb -0.15 -2.39 -0.04 0.00 2.84 0.00 0.00 34.83 35.09 1wln s MET 94 CO 0.01 -0.96 -0.08 -0.51 -0.65 0.00 0.00 175.02 172.82 1wln s LEU 95 N -3.21 3.09 0.01 4.11 1.43 -0.33 -4.83 118.68 118.95 1wln s LEU 95 Ca 0.67 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.60 1wln s LEU 95 Cb -0.39 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1wln s LEU 95 CO 0.47 0.25 -0.20 -1.10 0.23 0.00 0.00 176.35 176.00 1wln s GLN 96 N -1.68 1.51 0.11 1.70 -0.21 -1.26 -4.55 119.66 115.28 1wln s GLN 96 Ca 0.18 -0.81 -0.35 0.00 0.02 0.00 0.00 55.36 54.41 1wln s GLN 96 Cb -0.11 -1.53 -0.14 0.00 1.00 0.00 0.00 33.01 32.23 1wln s GLN 96 CO 0.10 0.41 1.55 -1.13 -2.12 0.00 0.00 175.29 174.09 1wln n SER 97 N 2.26 2.77 0.00 5.90 3.41 -1.26 -0.76 113.62 125.94 1wln n SER 97 Ca -0.16 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1wln n SER 97 Cb 0.53 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1wln n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wln n GLY 98 N 3.31 2.58 3.77 5.00 0.00 0.33 -4.93 105.19 115.24 1wln n GLY 98 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1wln n GLY 98 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wln s MET 99 N -0.81 4.18 0.50 1.61 1.00 0.06 -4.79 119.30 121.05 1wln s MET 99 Ca 0.00 1.81 -0.03 0.00 0.00 0.00 0.00 55.69 57.47 1wln s MET 99 Cb 0.00 -2.76 -0.01 0.00 0.00 0.00 0.00 34.83 32.06 1wln s MET 99 CO 0.00 -0.20 0.77 1.03 0.00 0.00 0.00 175.02 176.62 1wln s ARG 100 N -2.16 3.17 -0.21 2.03 0.52 -1.26 -0.30 118.95 120.74 1wln s ARG 100 Ca 0.55 -0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 55.59 1wln s ARG 100 Cb -0.30 -2.42 0.08 0.00 0.52 0.00 0.00 34.95 32.83 1wln s ARG 100 CO 0.38 -0.37 0.14 -0.51 0.02 0.00 0.00 175.30 174.96 1wln s LEU 101 N -4.74 0.24 -0.46 2.53 1.02 0.35 -2.53 118.68 115.08 1wln s LEU 101 Ca 0.49 -0.68 -0.15 0.00 0.02 0.00 0.00 54.13 53.81 1wln s LEU 101 Cb -0.10 -0.06 0.06 0.00 0.02 0.00 0.00 46.19 46.11 1wln s LEU 101 CO 0.42 -0.37 0.37 -1.58 0.02 0.00 0.00 176.35 175.22 1wln s GLN 102 N 2.19 2.97 -0.92 1.70 0.74 -0.80 -0.02 119.66 125.53 1wln s GLN 102 Ca 0.05 -1.29 -0.15 0.00 0.05 0.00 0.00 55.36 54.03 1wln s GLN 102 Cb -0.16 -4.10 0.20 0.00 1.10 0.00 0.00 33.01 30.05 1wln s GLN 102 CO -0.18 -0.97 0.95 -0.06 -0.55 0.00 0.00 175.29 174.48 1wln s PHE 103 N 1.64 3.64 0.00 1.67 0.08 -0.40 -2.58 117.98 122.02 1wln s PHE 103 Ca 0.04 -1.93 0.00 0.00 0.12 0.00 0.00 56.93 55.16 1wln s PHE 103 Cb -0.23 -3.98 0.00 0.00 -0.57 0.00 0.00 43.02 38.24 1wln s PHE 103 CO 0.07 -1.15 0.00 0.41 -0.10 0.00 0.00 175.22 174.45 1wln n GLY 104 N 4.23 0.82 0.00 4.36 0.00 -0.64 -4.28 105.19 109.68 1wln n GLY 104 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1wln n GLY 104 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wln n THR 105 N 0.00 0.00 0.00 2.61 5.66 -1.26 -4.85 114.28 116.44 1wln n THR 105 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wln n THR 105 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wln n THR 105 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wln n SER 106 N 0.00 0.00 -4.43 1.09 2.88 -1.26 -5.04 113.62 106.86 1wln n SER 106 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1wln n SER 106 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wln s HIS 107 N -0.84 3.22 -0.08 0.66 4.02 -1.26 -4.80 115.29 116.20 1wln s HIS 107 Ca 0.00 -0.67 0.04 0.00 1.02 0.00 0.00 55.06 55.45 1wln s HIS 107 Cb 0.00 -2.44 0.00 0.00 -1.02 0.00 0.00 32.58 29.12 1wln s HIS 107 CO 0.00 -0.54 -0.22 0.08 1.02 0.00 0.00 174.74 175.09 1wln s VAL 108 N 1.62 1.85 0.37 -0.90 1.01 -1.26 -1.28 120.40 121.81 1wln s VAL 108 Ca 0.04 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1wln s VAL 108 Cb -0.18 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1wln s VAL 108 CO 0.08 0.52 0.01 -0.36 0.00 0.00 0.00 175.10 175.34 1wln s PHE 109 N 0.32 2.32 -0.15 5.22 0.40 0.97 0.44 117.98 127.50 1wln s PHE 109 Ca -0.15 -0.74 -0.00 0.00 -0.60 0.00 0.00 56.93 55.44 1wln s PHE 109 Cb -0.17 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.83 1wln s PHE 109 CO 0.07 0.33 -0.09 0.21 0.70 0.00 0.00 175.22 176.44 1wln s LYS 110 N -3.75 1.75 0.25 0.44 2.20 0.17 0.13 119.74 120.93 1wln s LYS 110 Ca 0.35 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 1wln s LYS 110 Cb 0.09 -1.98 -0.09 0.00 -1.51 0.00 0.00 37.83 34.34 1wln s LYS 110 CO 0.17 -0.34 0.95 0.12 -0.36 0.00 0.00 175.35 175.89 1wln s PHE 111 N 1.58 3.93 0.03 4.03 2.19 0.58 -0.31 117.98 130.02 1wln s PHE 111 Ca 0.03 1.89 -0.00 0.00 0.33 0.00 0.00 56.93 59.17 1wln s PHE 111 Cb -0.14 -3.00 -0.03 0.00 -1.31 0.00 0.00 43.02 38.54 1wln s PHE 111 CO -0.09 0.35 -0.03 0.54 1.83 0.00 0.00 175.22 177.82 1wln s VAL 112 N -1.22 0.17 -0.26 3.12 0.11 0.63 0.12 120.40 123.07 1wln s VAL 112 Ca 0.42 -1.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1wln s VAL 112 Cb -0.26 -0.72 0.09 0.00 -1.53 0.00 0.00 36.38 33.96 1wln s VAL 112 CO 0.32 -0.67 0.10 -0.62 -3.33 0.00 0.00 175.10 170.90 1wln s ASP 113 N -1.98 3.43 0.00 3.54 2.15 -1.26 -1.20 116.67 121.35 1wln s ASP 113 Ca -0.08 -1.23 0.23 0.00 0.43 0.00 0.00 52.55 51.91 1wln s ASP 113 Cb -0.04 -0.53 1.27 0.00 -0.30 0.00 0.00 42.92 43.32 1wln s ASP 113 CO -0.04 -0.40 1.76 -0.81 -0.17 0.00 0.00 175.17 175.52 1wln n PRO 114 N 5.10 0.51 -0.15 4.34 -0.04 -1.26 -3.03 135.00 140.47 1wln n PRO 114 Ca -0.05 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 1wln n PRO 114 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 1wln n PRO 114 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wln h SER 115 N 0.00 0.97 -2.57 3.54 0.87 -1.86 -3.43 113.55 111.07 1wln h SER 115 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1wln h SER 115 Cb 0.12 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1wln h SER 115 CO 0.00 1.16 0.00 0.61 -0.53 0.00 0.00 176.83 178.07 1wln n GLY 116 N -0.07 0.47 3.73 5.77 0.00 -1.17 -4.98 105.19 108.94 1wln n GLY 116 Ca -0.01 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1wln n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wln s PRO 117 N -4.84 4.55 -0.70 1.61 0.04 -1.26 -4.96 135.00 129.44 1wln s PRO 117 Ca 0.00 1.74 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1wln s PRO 117 Cb 0.00 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.27 1wln s PRO 117 CO 0.00 -0.01 1.43 -1.12 0.04 0.00 0.00 177.00 177.34 1wln s SER 118 N 0.16 5.94 0.00 6.66 0.01 -1.26 -4.61 113.70 120.60 1wln s SER 118 Ca 0.51 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1wln s SER 118 Cb -0.30 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1wln s SER 118 CO 0.34 -1.96 0.00 -0.24 0.41 0.00 0.00 173.24 171.79 1wln n SER 119 N 10.22 0.00 -0.31 2.44 2.88 -1.26 -5.32 113.62 122.27 1wln n SER 119 Ca 0.08 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.66 1wln n SER 119 Cb 0.50 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42