#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 6.76 -0.29 1.61 0.15 -1.26 -5.02 113.70 115.65 1wln s SER 2 Ca 0.00 0.92 -0.22 0.00 0.70 0.00 0.00 55.95 57.35 1wln s SER 2 Cb 0.00 -2.36 0.13 0.00 -1.71 0.00 0.00 66.02 62.09 1wln s SER 2 CO 0.00 -0.20 1.04 -0.55 1.20 0.00 0.00 173.24 174.73 1wln s SER 3 N 1.02 -0.44 0.00 5.45 0.15 -1.26 -5.18 113.70 113.44 1wln s SER 3 Ca 0.30 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1wln s SER 3 Cb -0.16 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1wln s SER 3 CO 0.12 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wln n GLY 4 N 2.68 5.31 0.11 9.45 0.00 -1.26 -5.09 105.19 116.38 1wln n GLY 4 Ca -0.14 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 1wln n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wln n SER 5 N 0.00 1.89 0.00 1.61 2.88 -1.26 -4.97 113.62 113.78 1wln n SER 5 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1wln n SER 5 Cb 0.00 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1wln n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wln n SER 6 N -4.40 0.00 0.00 -3.46 7.64 -1.26 -4.58 113.62 107.55 1wln n SER 6 Ca -0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1wln n SER 6 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1wln n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wln n GLY 7 N 0.00 3.27 0.13 0.23 0.00 -1.26 -5.02 105.19 102.53 1wln n GLY 7 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 0.12 -1.83 1.61 0.13 -2.02 -3.24 132.00 126.77 1wln h PRO 8 Ca 0.00 -0.12 -0.32 0.00 -0.87 0.00 0.00 66.00 64.69 1wln h PRO 8 Cb 0.00 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 31.04 1wln h PRO 8 CO 0.00 0.84 0.21 -0.85 -0.23 0.00 0.00 178.00 177.97 1wln n GLU 9 N -3.69 1.94 -1.51 0.86 0.28 -1.26 -3.45 120.64 113.81 1wln n GLU 9 Ca -0.02 -1.53 -0.03 0.00 -0.16 0.00 0.00 57.16 55.41 1wln n GLU 9 Cb 0.75 -1.79 0.01 0.00 1.43 0.00 0.00 31.44 31.84 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 1.06 0.43 -4.10 3.44 5.02 -1.22 -4.91 118.16 117.89 1wln n LYS 10 Ca 0.35 -0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 55.55 1wln n LYS 10 Cb 0.62 0.41 -0.07 0.00 -0.02 0.00 0.00 35.03 35.97 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 -1.30 3.94 0.38 -0.35 1.43 -1.22 -2.71 118.68 118.85 1wln s LEU 11 Ca 0.03 0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.07 1wln s LEU 11 Cb 0.14 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 1wln s LEU 11 CO -0.04 0.30 1.06 -2.16 0.23 0.00 0.00 176.35 175.74 1wln s PRO 12 N -1.56 4.26 0.10 1.29 0.04 -1.25 -4.13 135.00 133.75 1wln s PRO 12 Ca 0.21 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1wln s PRO 12 Cb -0.12 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 1wln s PRO 12 CO 0.12 -0.08 0.03 1.52 0.04 0.00 0.00 177.00 178.63 1wln s TYR 13 N -1.55 0.73 -0.32 0.56 -0.85 -0.21 0.69 117.35 116.41 1wln s TYR 13 Ca 0.55 -1.17 -0.05 0.00 -0.52 0.00 0.00 57.07 55.88 1wln s TYR 13 Cb -0.24 -0.44 0.04 0.00 0.38 0.00 0.00 41.96 41.69 1wln s TYR 13 CO 0.31 -0.47 0.07 -0.51 -1.52 0.00 0.00 175.55 173.42 1wln s LEU 14 N -3.00 4.06 -0.44 -3.49 1.43 -0.86 -0.21 118.68 116.17 1wln s LEU 14 Ca 0.18 -1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.02 1wln s LEU 14 Cb 0.08 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1wln s LEU 14 CO -0.03 -0.27 0.53 0.54 0.23 0.00 0.00 176.35 177.35 1wln s VAL 15 N 1.38 4.97 0.22 -1.59 0.11 0.38 -3.16 120.40 122.72 1wln s VAL 15 Ca -0.02 -0.27 -0.31 0.00 -2.93 0.00 0.00 61.98 58.46 1wln s VAL 15 Cb -0.19 -4.14 -0.15 0.00 -1.53 0.00 0.00 36.38 30.37 1wln s VAL 15 CO 0.01 -0.56 1.07 1.21 -3.33 0.00 0.00 175.10 173.51 1wln n GLU 16 N 5.89 1.19 -4.50 1.54 2.13 -0.97 -1.06 120.64 124.86 1wln n GLU 16 Ca -0.06 0.42 -0.26 0.00 0.66 0.00 0.00 57.16 57.92 1wln n GLU 16 Cb 0.47 -1.84 -0.10 0.00 0.27 0.00 0.00 31.44 30.24 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 0.69 2.84 1.17 4.31 1.43 0.32 -4.62 118.68 124.81 1wln s LEU 17 Ca 0.67 -1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 1wln s LEU 17 Cb -0.79 -1.06 0.27 0.00 0.03 0.00 0.00 46.19 44.63 1wln s LEU 17 CO 0.56 -0.29 1.07 -0.55 0.23 0.00 0.00 176.35 177.36 1wln s SER 18 N -3.67 1.17 0.00 2.29 0.15 -1.20 -4.28 113.70 108.15 1wln s SER 18 Ca 0.34 0.95 0.23 0.00 0.70 0.00 0.00 55.95 58.17 1wln s SER 18 Cb 0.04 -1.42 1.37 0.00 -1.71 0.00 0.00 66.02 64.30 1wln s SER 18 CO 0.18 -4.01 1.75 -0.81 1.20 0.00 0.00 173.24 171.55 1wln n PRO 19 N -4.72 0.75 -0.01 5.44 -0.04 -1.26 -2.09 135.00 133.07 1wln n PRO 19 Ca 0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 1wln n PRO 19 Cb 0.58 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1wln n PRO 19 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wln n ASP 20 N -0.98 1.96 0.00 3.54 2.03 -1.26 -4.99 116.55 116.85 1wln n ASP 20 Ca 0.17 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1wln n ASP 20 Cb 0.08 1.53 0.00 0.00 -0.72 0.00 0.00 41.12 42.01 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 21 N 1.74 0.71 3.43 0.27 0.00 -0.89 -5.07 105.19 105.38 1wln n GLY 21 Ca -0.02 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1wln n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wln s SER 22 N -2.46 3.00 0.16 1.61 0.15 -1.26 -4.87 113.70 110.03 1wln s SER 22 Ca 0.00 -1.12 -0.30 0.00 0.70 0.00 0.00 55.95 55.23 1wln s SER 22 Cb 0.00 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 1wln s SER 22 CO 0.00 -0.21 1.12 1.51 1.20 0.00 0.00 173.24 176.86 1wln s ASP 23 N -3.45 7.23 -0.65 5.45 -4.77 -1.26 -3.24 116.67 115.98 1wln s ASP 23 Ca 0.28 2.09 -0.02 0.00 -3.30 0.00 0.00 52.55 51.60 1wln s ASP 23 Cb 0.01 -2.60 0.29 0.00 -1.09 0.00 0.00 42.92 39.53 1wln s ASP 23 CO 0.12 -0.26 2.20 -0.24 0.70 0.00 0.00 175.17 177.68 1wln n SER 24 N 2.57 7.22 -3.71 2.11 2.88 -1.26 -4.81 113.62 118.61 1wln n SER 24 Ca 0.04 -3.59 -0.26 0.00 -1.33 0.00 0.00 58.87 53.72 1wln n SER 24 Cb 0.46 -1.08 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 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 -0.21 -1.55 -4.19 -1.46 1.74 -1.26 -4.84 116.66 104.89 1wln n ARG 25 Ca 0.52 0.09 -0.15 0.00 -0.77 0.00 0.00 57.85 57.54 1wln n ARG 25 Cb 0.45 -4.51 -0.08 0.00 -1.02 0.00 0.00 32.46 27.30 1wln n ARG 25 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wln s ASP 26 N -2.72 0.83 -0.42 0.55 1.11 -1.26 -5.13 116.67 109.63 1wln s ASP 26 Ca 0.51 -1.50 -0.11 0.00 0.18 0.00 0.00 52.55 51.63 1wln s ASP 26 Cb -0.30 0.52 0.07 0.00 1.07 0.00 0.00 42.92 44.28 1wln s ASP 26 CO 0.63 -1.05 0.28 -0.54 1.18 0.00 0.00 175.17 175.67 1wln s LYS 27 N -3.65 2.75 0.83 8.23 3.01 -1.26 -5.06 119.74 124.59 1wln s LYS 27 Ca 0.36 -1.35 -0.12 0.00 -1.01 0.00 0.00 55.97 53.86 1wln s LYS 27 Cb 0.03 -3.87 0.09 0.00 -1.01 0.00 0.00 37.83 33.07 1wln s LYS 27 CO 0.19 -0.92 1.11 -1.25 0.51 0.00 0.00 175.35 174.99 1wln s PRO 28 N 1.51 1.81 0.70 -1.68 0.04 -1.26 -5.02 135.00 131.10 1wln s PRO 28 Ca 0.03 0.54 -0.14 0.00 0.04 0.00 0.00 61.00 61.46 1wln s PRO 28 Cb -0.22 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1wln s PRO 28 CO 0.04 -1.79 1.13 0.21 0.04 0.00 0.00 177.00 176.64 1wln s LYS 29 N -5.19 2.49 0.15 4.56 2.36 -1.26 -4.82 119.74 118.03 1wln s LYS 29 Ca 0.62 1.46 0.06 0.00 -2.55 0.00 0.00 55.97 55.56 1wln s LYS 29 Cb -0.14 -1.91 -0.04 0.00 -1.05 0.00 0.00 37.83 34.69 1wln s LYS 29 CO 0.54 -1.50 -0.14 -1.17 1.55 0.00 0.00 175.35 174.63 1wln s LEU 30 N -5.14 2.46 -0.26 5.43 2.96 -1.26 -2.29 118.68 120.58 1wln s LEU 30 Ca 0.68 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1wln s LEU 30 Cb -0.22 -0.57 0.13 0.00 0.50 0.00 0.00 46.19 46.03 1wln s LEU 30 CO 0.45 -0.17 0.31 -0.31 -1.32 0.00 0.00 176.35 175.30 1wln s TYR 31 N -2.53 -0.56 -0.06 5.38 2.02 -1.19 -4.94 117.35 115.46 1wln s TYR 31 Ca 0.14 0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.73 1wln s TYR 31 Cb -0.03 -0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1wln s TYR 31 CO 0.04 -0.81 1.35 1.03 -1.57 0.00 0.00 175.55 175.59 1wln s ARG 32 N 2.41 4.27 -1.34 -0.62 0.52 -1.26 -2.03 118.95 120.90 1wln s ARG 32 Ca 0.10 1.85 -0.15 0.00 -0.52 0.00 0.00 55.73 57.01 1wln s ARG 32 Cb -0.14 -3.67 0.09 0.00 0.52 0.00 0.00 34.95 31.74 1wln s ARG 32 CO -0.24 -0.61 1.90 1.28 0.02 0.00 0.00 175.30 177.64 1wln n LEU 33 N 5.86 5.90 -4.63 2.53 4.77 0.22 -4.97 117.00 126.68 1wln n LEU 33 Ca 0.13 -4.17 -0.35 0.00 -0.03 0.00 0.00 56.01 51.59 1wln n LEU 33 Cb 0.44 -1.66 0.09 0.00 -2.33 0.00 0.00 43.42 39.96 1wln n LEU 33 CO 0.58 0.73 0.58 0.00 -1.33 0.00 0.00 177.39 177.95 1wln n GLN 34 N 6.61 0.51 -1.03 3.23 6.02 -1.26 -4.63 117.38 126.82 1wln n GLN 34 Ca 0.47 0.23 -0.36 0.00 -0.01 0.00 0.00 57.00 57.34 1wln n GLN 34 Cb 0.42 -2.26 0.03 0.00 1.02 0.00 0.00 30.24 29.45 1wln n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wln n LEU 35 N -1.86 -5.31 0.00 1.08 4.77 -1.26 -4.73 117.00 109.70 1wln n LEU 35 Ca 0.13 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1wln n LEU 35 Cb 0.49 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1wln n LEU 35 CO 0.49 -5.57 0.00 -1.20 -1.33 0.00 0.00 177.39 169.78 1wln n SER 36 N 3.16 0.00 -4.77 -1.43 7.64 -1.26 -4.93 113.62 112.03 1wln n SER 36 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1wln n SER 36 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1wln n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wln s VAL 37 N -2.72 3.17 -0.29 0.44 0.11 -1.26 -4.12 120.40 115.73 1wln s VAL 37 Ca 0.00 1.07 0.01 0.00 -2.93 0.00 0.00 61.98 60.13 1wln s VAL 37 Cb 0.00 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.30 1wln s VAL 37 CO 0.00 0.17 0.03 -0.89 -3.33 0.00 0.00 175.10 171.08 1wln s THR 38 N -1.30 1.49 0.02 5.04 2.01 0.14 -4.89 115.64 118.14 1wln s THR 38 Ca 0.52 -1.57 -0.30 0.00 0.31 0.00 0.00 61.69 60.65 1wln s THR 38 Cb -0.32 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1wln s THR 38 CO 0.42 -0.43 1.14 -1.61 -0.69 0.00 0.00 174.62 173.45 1wln s GLU 39 N 1.35 4.45 0.37 4.92 8.01 -1.26 0.45 118.70 136.98 1wln s GLU 39 Ca 0.04 1.66 0.07 0.00 0.01 0.00 0.00 54.97 56.75 1wln s GLU 39 Cb -0.18 -3.42 -0.01 0.00 -4.31 0.00 0.00 34.13 26.20 1wln s GLU 39 CO -0.13 -0.25 0.41 0.08 0.01 0.00 0.00 175.26 175.38 1wln s VAL 40 N 1.29 3.32 -0.15 2.63 1.01 0.47 -3.17 120.40 125.81 1wln s VAL 40 Ca 0.56 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1wln s VAL 40 Cb -0.26 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1wln s VAL 40 CO 0.27 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1wln n GLY 41 N -1.57 0.27 0.14 4.51 0.00 -1.23 -0.71 105.19 106.60 1wln n GLY 41 Ca 0.02 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 0.27 0.00 -3.19 2.61 -2.24 -0.51 0.11 114.28 111.32 1wln n THR 42 Ca 0.00 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1wln n THR 42 Cb 0.00 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.80 3.65 -0.08 -0.78 0.41 -1.19 -4.96 118.70 114.96 1wln s GLU 43 Ca 0.05 0.10 0.03 0.00 -0.41 0.00 0.00 54.97 54.74 1wln s GLU 43 Cb 0.04 -2.57 -0.02 0.00 -1.78 0.00 0.00 34.13 29.80 1wln s GLU 43 CO 0.11 0.13 -0.17 0.21 -0.49 0.00 0.00 175.26 175.05 1wln s LYS 44 N -3.74 2.84 0.00 1.61 2.20 -1.26 -4.86 119.74 116.54 1wln s LYS 44 Ca 0.46 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1wln s LYS 44 Cb -0.10 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 1wln s LYS 44 CO 0.31 0.40 0.00 1.19 -0.36 0.00 0.00 175.35 176.89 1wln n PHE 45 N 2.95 0.00 -3.49 4.03 3.01 -1.26 -5.08 117.46 117.62 1wln n PHE 45 Ca -0.18 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.30 1wln n PHE 45 Cb 0.52 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.94 1wln n PHE 45 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1wln s ASP 46 N -3.79 -0.17 -0.74 4.37 1.01 -1.26 -5.09 116.67 111.01 1wln s ASP 46 Ca 0.00 0.25 -0.37 0.00 0.71 0.00 0.00 52.55 53.14 1wln s ASP 46 Cb 0.00 1.12 -0.20 0.00 1.01 0.00 0.00 42.92 44.85 1wln s ASP 46 CO 0.00 -0.04 2.41 0.47 0.21 0.00 0.00 175.17 178.23 1wln n ASP 47 N 3.77 0.58 0.00 0.27 9.92 -1.26 -2.12 116.55 127.70 1wln n ASP 47 Ca -0.13 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1wln n ASP 47 Cb 0.56 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1wln n ASP 47 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1wln n ASN 48 N 9.10 0.00 -4.13 -2.24 4.13 -1.26 -5.15 115.26 115.71 1wln n ASN 48 Ca 0.60 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.57 1wln n ASN 48 Cb 0.01 0.00 0.19 0.00 -1.54 0.00 0.00 39.78 38.43 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 0.00 3.14 0.01 6.41 1.04 -0.90 -4.77 113.70 118.63 1wln s SER 49 Ca 0.00 0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 1wln s SER 49 Cb 0.00 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1wln s SER 49 CO 0.00 -2.71 0.23 -0.63 0.98 0.00 0.00 173.24 171.11 1wln s ILE 50 N -3.83 5.36 -0.31 -1.02 1.01 -1.19 -5.03 121.20 116.19 1wln s ILE 50 Ca 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 1wln s ILE 50 Cb -0.03 -3.56 0.10 0.00 0.01 0.00 0.00 42.46 38.98 1wln s ILE 50 CO 0.52 0.31 0.12 -1.58 0.00 0.00 0.00 174.94 174.32 1wln s GLN 51 N -1.94 0.55 0.05 2.79 0.74 -1.26 -3.52 119.66 117.07 1wln s GLN 51 Ca 0.29 -0.94 0.01 0.00 0.05 0.00 0.00 55.36 54.77 1wln s GLN 51 Cb -0.13 -1.67 -0.04 0.00 1.10 0.00 0.00 33.01 32.27 1wln s GLN 51 CO 0.18 -1.02 0.10 -0.51 -0.55 0.00 0.00 175.29 173.49 1wln s LEU 52 N 1.69 3.92 -0.19 3.68 1.43 0.29 -4.98 118.68 124.53 1wln s LEU 52 Ca 0.10 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1wln s LEU 52 Cb -0.17 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1wln s LEU 52 CO -0.27 0.21 -0.02 -0.36 0.23 0.00 0.00 176.35 176.14 1wln s PHE 53 N -1.34 1.60 0.14 0.29 0.08 -1.26 -3.84 117.98 113.65 1wln s PHE 53 Ca 0.28 -1.13 -0.17 0.00 0.12 0.00 0.00 56.93 56.03 1wln s PHE 53 Cb -0.12 -1.26 0.04 0.00 -0.57 0.00 0.00 43.02 41.10 1wln s PHE 53 CO 0.20 -0.64 0.45 0.20 -0.10 0.00 0.00 175.22 175.33 1wln s GLY 54 N 1.66 -0.26 -0.67 4.36 0.00 -1.26 -5.00 107.32 106.16 1wln s GLY 54 Ca -0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.40 1wln s GLY 54 CO -0.07 -0.26 1.56 2.56 0.00 0.00 0.00 173.10 176.89 1wln s PRO 55 N -3.81 2.94 0.00 2.90 0.04 -1.26 -2.11 135.00 133.69 1wln s PRO 55 Ca 0.04 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1wln s PRO 55 Cb 0.01 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1wln s PRO 55 CO -0.10 -2.40 0.00 0.41 0.04 0.00 0.00 177.00 174.95 1wln n GLY 56 N 5.52 1.21 3.86 0.56 0.00 -1.26 -4.99 105.19 110.10 1wln n GLY 56 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 4.71 0.52 -0.61 -1.09 -0.90 -4.84 121.20 116.99 1wln s ILE 57 Ca 0.00 0.83 0.04 0.00 -2.23 0.00 0.00 60.65 59.29 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 -0.40 0.24 -1.10 -1.23 0.00 0.00 174.94 172.45 1wln s GLN 58 N -3.51 2.23 -0.05 2.79 -1.52 -1.26 -4.95 119.66 113.39 1wln s GLN 58 Ca 0.53 -2.14 -0.09 0.00 -1.95 0.00 0.00 55.36 51.72 1wln s GLN 58 Cb -0.10 -1.88 -0.05 0.00 -0.22 0.00 0.00 33.01 30.76 1wln s GLN 58 CO 0.25 -0.48 0.38 -1.00 -0.25 0.00 0.00 175.29 174.19 1wln h PRO 59 N 1.03 -0.30 -3.41 2.91 0.13 -1.93 -1.35 132.00 129.08 1wln h PRO 59 Ca -0.40 0.02 -0.80 0.00 -0.87 0.00 0.00 66.00 63.95 1wln h PRO 59 Cb 1.30 0.07 -0.26 0.00 0.13 0.00 0.00 31.00 32.24 1wln h PRO 59 CO 0.65 -0.20 0.76 1.58 -0.23 0.00 0.00 178.00 180.56 1wln n HIS 60 N -4.71 3.96 0.00 1.56 -0.00 -1.26 -2.84 115.22 111.93 1wln n HIS 60 Ca -0.04 -3.29 0.00 0.00 -0.00 0.00 0.00 57.72 54.39 1wln n HIS 60 Cb 0.12 -1.59 0.00 0.00 -0.00 0.00 0.00 29.99 28.52 1wln n HIS 60 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1wln n HIS 61 N 2.48 0.00 -4.05 1.57 -0.00 0.11 -2.60 115.22 112.72 1wln n HIS 61 Ca 0.27 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.33 1wln n HIS 61 Cb 0.37 -0.43 -0.05 0.00 -0.12 0.00 0.00 29.99 29.76 1wln n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wln s ASP 63 N -3.12 1.89 -0.31 0.00 1.47 0.01 0.18 116.67 116.79 1wln s ASP 63 Ca 0.27 -0.26 -0.18 0.00 1.18 0.00 0.00 52.55 53.57 1wln s ASP 63 Cb 0.00 -0.75 -0.02 0.00 -0.34 0.00 0.00 42.92 41.81 1wln s ASP 63 CO 0.14 -0.08 0.50 -0.76 0.68 0.00 0.00 175.17 175.65 1wln s LEU 64 N 1.39 4.20 -0.20 2.11 2.01 0.17 -2.98 118.68 125.38 1wln s LEU 64 Ca -0.02 0.21 -0.03 0.00 0.01 0.00 0.00 54.13 54.30 1wln s LEU 64 Cb -0.13 -2.60 -0.00 0.00 0.01 0.00 0.00 46.19 43.46 1wln s LEU 64 CO -0.04 -0.38 -0.08 -0.89 1.01 0.00 0.00 176.35 175.96 1wln s THR 65 N 2.34 3.08 -0.50 5.49 2.01 -1.25 0.24 115.64 127.05 1wln s THR 65 Ca 0.19 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 1wln s THR 65 Cb -0.15 -2.38 0.05 0.00 0.01 0.00 0.00 72.50 70.02 1wln s THR 65 CO 0.12 0.46 0.71 0.21 -0.69 0.00 0.00 174.62 175.42 1wln s ASN 66 N 1.33 6.28 -0.31 3.53 2.47 -1.26 -3.23 114.94 123.75 1wln s ASN 66 Ca 0.04 -0.63 0.02 0.00 0.42 0.00 0.00 52.86 52.71 1wln s ASN 66 Cb -0.14 -2.33 0.08 0.00 -1.45 0.00 0.00 41.25 37.40 1wln s ASN 66 CO -0.04 -0.95 -0.01 -0.04 -3.72 0.00 0.00 177.10 172.34 1wln s MET 67 N 3.00 2.01 -1.29 0.43 -1.94 0.25 -4.56 119.30 117.20 1wln s MET 67 Ca 0.21 -1.55 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 1wln s MET 67 Cb -0.16 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.57 1wln s MET 67 CO 0.15 -0.74 0.00 -0.25 -0.01 0.00 0.00 175.02 174.17 1wln n ASP 68 N 4.42 -4.41 0.00 3.03 9.92 -1.26 -1.79 116.55 126.47 1wln n ASP 68 Ca -0.07 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1wln n ASP 68 Cb 0.42 -3.22 0.00 0.00 -0.64 0.00 0.00 41.12 37.68 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 -1.27 3.04 3.80 0.44 0.00 -1.26 -5.04 105.19 104.90 1wln n GLY 69 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.82 3.89 0.05 1.61 1.01 -0.74 -4.82 120.40 118.58 1wln s VAL 70 Ca 0.00 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.22 1wln s VAL 70 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1wln s VAL 70 CO 0.00 -0.25 -0.17 -0.69 0.00 0.00 0.00 175.10 174.00 1wln s VAL 71 N -2.00 1.32 -0.06 2.92 1.01 -1.26 0.87 120.40 123.19 1wln s VAL 71 Ca 0.66 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1wln s VAL 71 Cb -0.15 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1wln s VAL 71 CO 0.19 0.02 -0.02 0.42 0.00 0.00 0.00 175.10 175.71 1wln s THR 72 N -0.93 0.45 -0.03 3.92 -4.23 -1.20 0.26 115.64 113.89 1wln s THR 72 Ca 0.03 0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 1wln s THR 72 Cb -0.09 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 1wln s THR 72 CO 0.02 0.25 1.28 0.54 -0.54 0.00 0.00 174.62 176.17 1wln s VAL 73 N 1.60 4.03 -0.28 2.29 0.11 0.10 -3.89 120.40 124.37 1wln s VAL 73 Ca -0.00 1.39 0.02 0.00 -2.93 0.00 0.00 61.98 60.45 1wln s VAL 73 Cb -0.13 -3.89 0.08 0.00 -1.53 0.00 0.00 36.38 30.91 1wln s VAL 73 CO -0.04 0.00 0.00 -0.89 -3.33 0.00 0.00 175.10 170.85 1wln s THR 74 N 2.23 1.67 -0.22 5.04 2.01 -1.16 -1.27 115.64 123.94 1wln s THR 74 Ca 0.59 -1.63 -0.29 0.00 0.31 0.00 0.00 61.69 60.66 1wln s THR 74 Cb -0.27 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 1wln s THR 74 CO 0.24 -0.36 1.31 -2.16 -0.69 0.00 0.00 174.62 172.95 1wln s PRO 75 N 1.27 4.07 -0.24 4.92 0.04 -1.26 -0.81 135.00 142.99 1wln s PRO 75 Ca 0.02 1.49 0.11 0.00 0.04 0.00 0.00 61.00 62.67 1wln s PRO 75 Cb -0.19 -3.83 0.46 0.00 0.04 0.00 0.00 34.50 30.98 1wln s PRO 75 CO -0.11 -0.92 1.36 0.54 0.04 0.00 0.00 177.00 177.91 1wln n ARG 76 N 6.98 1.81 -3.96 4.56 5.12 -0.27 -4.94 116.66 125.96 1wln n ARG 76 Ca 0.15 -3.14 -0.24 0.00 -1.93 0.00 0.00 57.85 52.69 1wln n ARG 76 Cb 0.46 -1.73 -0.17 0.00 -1.16 0.00 0.00 32.46 29.85 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 -2.72 1.68 -1.60 0.55 0.01 -1.07 -4.79 113.70 105.75 1wln s SER 77 Ca 0.41 -0.19 -0.10 0.00 1.31 0.00 0.00 55.95 57.38 1wln s SER 77 Cb 0.38 -0.61 -0.07 0.00 0.21 0.00 0.00 66.02 65.93 1wln s SER 77 CO -0.01 -0.12 2.86 0.80 0.41 0.00 0.00 173.24 177.18 1wln n MET 78 N 4.74 3.60 0.00 12.44 1.56 -1.26 -2.88 117.12 135.32 1wln n MET 78 Ca -0.14 -2.27 0.00 0.00 -0.27 0.00 0.00 57.70 55.02 1wln n MET 78 Cb 0.50 -2.87 0.00 0.00 2.15 0.00 0.00 33.22 33.01 1wln n MET 78 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1wln n ASP 79 N 3.91 0.00 -4.68 6.12 8.00 -1.26 -5.12 116.55 123.52 1wln n ASP 79 Ca 0.75 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.83 1wln n ASP 79 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.98 -2.57 2.24 0.00 -1.14 -4.94 120.51 116.08 1wln n ALA 80 Ca 0.00 0.28 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 1wln n ALA 80 Cb 0.00 -2.63 -0.10 0.00 0.00 0.00 0.00 19.45 16.72 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 3.36 3.75 -0.24 0.00 2.02 -1.26 -4.90 118.70 121.43 1wln s GLU 81 Ca 0.85 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1wln s GLU 81 Cb -0.47 -3.73 0.07 0.00 0.10 0.00 0.00 34.13 30.10 1wln s GLU 81 CO 0.39 -0.36 -0.02 0.99 0.02 0.00 0.00 175.26 176.28 1wln s THR 82 N 1.88 1.37 -0.24 3.63 2.01 -1.24 0.44 115.64 123.49 1wln s THR 82 Ca 0.10 -1.21 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 1wln s THR 82 Cb -0.16 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1wln s THR 82 CO 0.11 -0.20 0.02 -0.31 -0.69 0.00 0.00 174.62 173.55 1wln s TYR 83 N 1.45 3.03 -0.90 4.92 2.02 -0.52 -2.75 117.35 124.60 1wln s TYR 83 Ca -0.03 -0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 55.81 1wln s TYR 83 Cb -0.18 -2.18 0.11 0.00 -0.40 0.00 0.00 41.96 39.31 1wln s TYR 83 CO -0.08 -0.45 1.14 0.08 -1.57 0.00 0.00 175.55 174.67 1wln s VAL 84 N 1.55 4.58 0.00 0.71 1.01 0.34 -1.01 120.40 127.58 1wln s VAL 84 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1wln s VAL 84 Cb -0.15 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.43 1wln s VAL 84 CO 0.01 -1.55 0.00 -0.67 0.00 0.00 0.00 175.10 172.88 1wln n ASP 85 N 6.98 -1.14 0.00 3.32 -0.08 -0.54 -3.33 116.55 121.77 1wln n ASP 85 Ca 0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1wln n ASP 85 Cb 0.49 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 86 N -1.25 0.72 3.12 0.27 0.00 -1.24 -4.98 105.19 101.84 1wln n GLY 86 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.50 2.72 0.60 1.61 -0.21 -1.21 -4.99 119.66 117.68 1wln s GLN 87 Ca 0.00 -1.02 -0.17 0.00 0.02 0.00 0.00 55.36 54.19 1wln s GLN 87 Cb 0.00 -2.76 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 1wln s GLN 87 CO 0.00 -0.36 1.11 0.50 -2.12 0.00 0.00 175.29 174.42 1wln s ARG 88 N 1.24 3.10 0.43 2.91 3.52 -1.26 0.13 118.95 129.02 1wln s ARG 88 Ca -0.00 1.47 0.07 0.00 -0.13 0.00 0.00 55.73 57.14 1wln s ARG 88 Cb -0.16 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 1wln s ARG 88 CO -0.09 -1.02 0.18 0.96 -0.81 0.00 0.00 175.30 174.51 1wln s ILE 89 N -2.09 2.12 0.00 4.11 -4.36 -1.11 -4.86 121.20 115.01 1wln s ILE 89 Ca 0.69 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 1wln s ILE 89 Cb -0.22 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1wln s ILE 89 CO 0.34 0.00 0.71 -1.20 0.24 0.00 0.00 174.94 175.03 1wln n SER 90 N -1.27 0.00 0.00 4.36 7.64 -1.26 -4.93 113.62 118.15 1wln n SER 90 Ca -0.03 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1wln n SER 90 Cb 0.65 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.00 -2.33 -1.55 1.43 0.28 -1.26 -5.04 120.64 112.17 1wln n GLU 91 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1wln n GLU 91 Cb 0.59 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.42 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 0.10 0.05 -4.62 3.84 -1.04 -1.25 -4.66 114.28 106.70 1wln n THR 92 Ca 0.00 -0.61 -0.33 0.00 -2.04 0.00 0.00 64.05 61.07 1wln n THR 92 Cb 0.00 -2.45 -0.13 0.00 -1.82 0.00 0.00 70.33 65.93 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 10.62 3.48 0.49 12.58 2.01 -0.40 -4.90 115.64 139.51 1wln s THR 93 Ca 1.03 -0.52 -0.24 0.00 0.31 0.00 0.00 61.69 62.28 1wln s THR 93 Cb -0.37 -2.48 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 1wln s THR 93 CO 0.32 0.53 1.36 -0.32 -0.69 0.00 0.00 174.62 175.82 1wln s MET 94 N 0.12 3.48 0.05 4.92 1.75 -1.26 0.03 119.30 128.39 1wln s MET 94 Ca -0.04 2.25 0.04 0.00 -1.25 0.00 0.00 55.69 56.70 1wln s MET 94 Cb -0.14 -2.47 -0.04 0.00 2.84 0.00 0.00 34.83 35.02 1wln s MET 94 CO 0.04 -0.92 -0.04 -0.51 -0.65 0.00 0.00 175.02 172.93 1wln s LEU 95 N -3.07 3.28 0.11 4.11 1.43 0.14 -4.79 118.68 119.89 1wln s LEU 95 Ca 0.65 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1wln s LEU 95 Cb -0.40 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 1wln s LEU 95 CO 0.50 0.22 -0.17 -1.10 0.23 0.00 0.00 176.35 176.02 1wln s GLN 96 N -1.91 1.05 0.14 1.70 -0.21 -1.26 -4.48 119.66 114.69 1wln s GLN 96 Ca 0.21 -1.17 -0.31 0.00 0.02 0.00 0.00 55.36 54.11 1wln s GLN 96 Cb -0.11 -1.15 -0.10 0.00 1.00 0.00 0.00 33.01 32.65 1wln s GLN 96 CO 0.13 0.25 1.64 -1.54 -2.12 0.00 0.00 175.29 173.65 1wln s SER 97 N -2.10 6.55 0.00 5.90 1.04 -1.25 -1.73 113.70 122.10 1wln s SER 97 Ca 0.06 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.13 1wln s SER 97 Cb -0.08 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1wln s SER 97 CO 0.04 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1wln n GLY 98 N 3.90 2.72 3.68 7.32 0.00 0.52 -4.93 105.19 118.40 1wln n GLY 98 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1wln n GLY 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wln n MET 99 N -0.18 1.80 -2.96 1.61 2.81 -0.70 -4.65 117.12 114.84 1wln n MET 99 Ca 0.00 0.64 -0.25 0.00 -1.81 0.00 0.00 57.70 56.28 1wln n MET 99 Cb 0.00 -2.31 -0.00 0.00 -0.71 0.00 0.00 33.22 30.20 1wln n MET 99 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1wln s ARG 100 N -2.18 3.39 -0.21 0.03 0.52 -1.26 -0.66 118.95 118.58 1wln s ARG 100 Ca 0.62 -0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 55.64 1wln s ARG 100 Cb -0.52 -2.51 0.08 0.00 0.52 0.00 0.00 34.95 32.52 1wln s ARG 100 CO 0.58 -0.12 0.12 -0.51 0.02 0.00 0.00 175.30 175.38 1wln s LEU 101 N -4.57 0.33 -0.42 2.53 1.02 0.53 -1.46 118.68 116.65 1wln s LEU 101 Ca 0.45 -0.77 -0.15 0.00 0.02 0.00 0.00 54.13 53.68 1wln s LEU 101 Cb -0.10 -0.19 0.03 0.00 0.02 0.00 0.00 46.19 45.95 1wln s LEU 101 CO 0.40 -0.37 0.32 -1.58 0.02 0.00 0.00 176.35 175.14 1wln s GLN 102 N 2.15 2.98 -0.44 1.70 0.74 -0.18 -0.17 119.66 126.45 1wln s GLN 102 Ca 0.05 -1.06 -0.15 0.00 0.05 0.00 0.00 55.36 54.25 1wln s GLN 102 Cb -0.16 -4.00 0.05 0.00 1.10 0.00 0.00 33.01 30.00 1wln s GLN 102 CO -0.18 -0.80 0.34 -0.06 -0.55 0.00 0.00 175.29 174.04 1wln s PHE 103 N 1.70 3.25 -1.35 1.67 0.08 -0.34 -1.44 117.98 121.55 1wln s PHE 103 Ca 0.05 -0.84 -0.06 0.00 0.12 0.00 0.00 56.93 56.20 1wln s PHE 103 Cb -0.20 -2.89 0.01 0.00 -0.57 0.00 0.00 43.02 39.37 1wln s PHE 103 CO 0.10 -0.71 0.79 0.41 -0.10 0.00 0.00 175.22 175.70 1wln n GLY 104 N 5.16 -0.42 3.99 4.36 0.00 0.17 -2.80 105.19 115.65 1wln n GLY 104 Ca -0.12 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.58 -1.28 0.10 2.61 5.66 -1.26 -4.66 114.28 110.86 1wln n THR 105 Ca -0.06 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1wln n THR 105 Cb 0.59 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.20 1wln n THR 105 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wln n SER 106 N -2.01 -0.87 -4.35 1.09 3.41 -1.12 -5.06 113.62 104.71 1wln n SER 106 Ca -0.20 0.35 -0.39 0.00 -0.26 0.00 0.00 58.87 58.36 1wln n SER 106 Cb 0.53 0.97 -0.12 0.00 -0.26 0.00 0.00 64.21 65.33 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wln s HIS 107 N -2.00 3.24 -0.16 7.33 4.02 -1.13 -4.93 115.29 121.65 1wln s HIS 107 Ca 0.00 -1.08 -0.07 0.00 1.02 0.00 0.00 55.06 54.93 1wln s HIS 107 Cb 0.00 -2.37 -0.04 0.00 -1.02 0.00 0.00 32.58 29.15 1wln s HIS 107 CO 0.00 -0.66 0.06 0.08 1.02 0.00 0.00 174.74 175.25 1wln s VAL 108 N 1.51 4.80 0.20 -0.90 1.01 -1.26 -1.20 120.40 124.56 1wln s VAL 108 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1wln s VAL 108 Cb -0.19 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1wln s VAL 108 CO 0.05 0.50 -0.02 -0.36 0.00 0.00 0.00 175.10 175.27 1wln s PHE 109 N 0.06 1.43 -0.16 5.22 0.40 0.77 0.12 117.98 125.81 1wln s PHE 109 Ca 0.05 -0.92 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 1wln s PHE 109 Cb -0.12 -0.81 0.03 0.00 0.51 0.00 0.00 43.02 42.63 1wln s PHE 109 CO 0.01 -0.06 -0.11 0.21 0.70 0.00 0.00 175.22 175.97 1wln s LYS 110 N -3.85 1.99 0.20 0.44 2.36 -0.22 0.20 119.74 120.86 1wln s LYS 110 Ca 0.25 -0.60 -0.30 0.00 -2.55 0.00 0.00 55.97 52.77 1wln s LYS 110 Cb 0.05 -2.12 -0.08 0.00 -1.05 0.00 0.00 37.83 34.63 1wln s LYS 110 CO 0.06 -0.33 0.97 0.12 1.55 0.00 0.00 175.35 177.73 1wln s PHE 111 N 1.51 3.87 0.07 4.03 2.19 0.16 -0.47 117.98 129.34 1wln s PHE 111 Ca 0.02 1.84 0.02 0.00 0.33 0.00 0.00 56.93 59.14 1wln s PHE 111 Cb -0.14 -3.05 -0.03 0.00 -1.31 0.00 0.00 43.02 38.48 1wln s PHE 111 CO -0.09 0.21 -0.07 0.54 1.83 0.00 0.00 175.22 177.64 1wln s VAL 112 N -0.77 0.58 -0.27 3.12 0.11 0.71 0.20 120.40 124.07 1wln s VAL 112 Ca 0.44 -1.49 -0.03 0.00 -2.93 0.00 0.00 61.98 57.97 1wln s VAL 112 Cb -0.26 -1.12 0.09 0.00 -1.53 0.00 0.00 36.38 33.56 1wln s VAL 112 CO 0.32 -0.63 0.10 -0.62 -3.33 0.00 0.00 175.10 170.94 1wln s ASP 113 N -2.29 3.51 0.00 3.54 -1.08 -1.26 -1.04 116.67 118.05 1wln s ASP 113 Ca 0.00 -1.28 0.22 0.00 -0.52 0.00 0.00 52.55 50.97 1wln s ASP 113 Cb -0.02 -0.55 1.04 0.00 -1.46 0.00 0.00 42.92 41.93 1wln s ASP 113 CO -0.02 -0.41 1.72 -0.81 0.52 0.00 0.00 175.17 176.17 1wln n PRO 114 N 5.09 0.17 -0.03 4.34 -0.04 -1.26 -3.00 135.00 140.26 1wln n PRO 114 Ca -0.05 0.10 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1wln n PRO 114 Cb 0.43 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 1wln n PRO 114 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wln h SER 115 N 0.00 0.55 -0.05 3.54 4.64 -1.82 -3.45 113.55 116.97 1wln h SER 115 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1wln h SER 115 Cb 0.29 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1wln h SER 115 CO 0.00 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 1wln n GLY 116 N -1.08 3.07 3.78 -0.77 0.00 -1.16 -5.09 105.19 103.94 1wln n GLY 116 Ca 0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.99 0.59 0.00 1.61 0.04 -1.26 -5.07 135.00 125.91 1wln s PRO 117 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1wln s PRO 117 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1wln s PRO 117 CO 0.00 -2.53 0.00 -1.13 0.04 0.00 0.00 177.00 173.38 1wln n SER 118 N -3.95 0.00 -4.17 6.66 3.41 -1.26 -5.17 113.62 109.14 1wln n SER 118 Ca 0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.47 1wln n SER 118 Cb 0.59 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 1wln n SER 118 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wln s SER 119 N 0.00 1.99 0.00 4.04 0.01 -1.26 -5.22 113.70 113.25 1wln s SER 119 Ca 0.00 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1wln s SER 119 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1wln s SER 119 CO 0.00 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42