#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LYS 13 N 0.00 0.00 -1.47 -0.52 0.00 -1.26 -4.62 118.16 110.29 2wh4 n LYS 13 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 2wh4 n LYS 13 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 2wh4 n LYS 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wh4 n GLY 14 N -0.00 1.48 2.84 3.14 0.00 -1.26 -4.84 105.19 106.54 2wh4 n GLY 14 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 2wh4 n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wh4 s VAL 15 N 8.63 0.20 -0.32 1.61 -7.23 -1.25 -4.18 120.40 117.85 2wh4 s VAL 15 Ca 0.65 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.75 2wh4 s VAL 15 Cb 0.07 -0.27 -0.02 0.00 0.56 0.00 0.00 36.38 36.72 2wh4 s VAL 15 CO 0.16 0.14 0.21 -0.44 -0.31 0.00 0.00 175.10 174.85 2wh4 s SER 16 N 0.85 5.88 -1.17 4.85 0.01 -1.21 -4.82 113.70 118.09 2wh4 s SER 16 Ca -0.09 -0.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.66 2wh4 s SER 16 Cb -0.12 -2.09 0.23 0.00 0.21 0.00 0.00 66.02 64.25 2wh4 s SER 16 CO -0.01 -0.20 1.42 0.52 0.41 0.00 0.00 173.24 175.37 2wh4 n VAL 17 N 5.06 4.57 -0.80 3.43 0.31 -1.26 -3.57 118.33 126.07 2wh4 n VAL 17 Ca -0.13 -5.10 -0.33 0.00 -0.01 0.00 0.00 64.34 58.77 2wh4 n VAL 17 Cb 0.50 -2.42 0.12 0.00 -0.91 0.00 0.00 33.84 31.13 2wh4 n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wh4 n GLU 18 N 3.62 -0.29 -2.95 5.55 -0.58 -0.99 -4.00 120.64 121.00 2wh4 n GLU 18 Ca 0.31 -0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.87 2wh4 n GLU 18 Cb 0.39 -1.87 0.02 0.00 -0.57 0.00 0.00 31.44 29.41 2wh4 n GLU 18 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wh4 n VAL 19 N -3.60 -0.17 0.00 2.62 0.31 -1.24 -4.02 118.33 112.23 2wh4 n VAL 19 Ca 0.07 -2.86 0.00 0.00 -0.01 0.00 0.00 64.34 61.54 2wh4 n VAL 19 Cb 0.53 0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.85 2wh4 n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh4 n ALA 20 N 0.75 0.00 0.03 3.52 0.00 0.17 -4.93 120.51 120.05 2wh4 n ALA 20 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 2wh4 n ALA 20 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 2wh4 n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wh4 h PRO 21 N 0.00 -0.42 0.00 0.00 0.11 -2.00 -3.35 132.00 126.34 2wh4 h PRO 21 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2wh4 h PRO 21 Cb 0.00 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2wh4 h PRO 21 CO 0.00 -0.28 -0.18 0.41 -0.21 0.00 0.00 178.00 177.74 2wh4 n GLY 22 N -1.30 0.77 3.75 -0.55 0.00 -1.26 -4.53 105.19 102.08 2wh4 n GLY 22 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2wh4 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 23 N -0.96 4.45 0.00 1.61 1.81 -1.26 -1.08 118.95 123.52 2wh4 s ARG 23 Ca 0.00 2.04 0.02 0.00 -1.72 0.00 0.00 55.73 56.07 2wh4 s ARG 23 Cb 0.00 -3.15 0.03 0.00 -0.45 0.00 0.00 34.95 31.38 2wh4 s ARG 23 CO 0.00 -0.11 0.83 1.33 -0.68 0.00 0.00 175.30 176.68 2wh4 n VAL 24 N 1.65 0.00 -0.70 3.52 0.24 -1.26 0.46 118.33 122.24 2wh4 n VAL 24 Ca 0.02 -0.08 -0.26 0.00 -2.04 0.00 0.00 64.34 61.99 2wh4 n VAL 24 Cb 0.43 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 2wh4 n VAL 24 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2wh4 n LYS 25 N 0.04 0.00 -5.15 7.34 2.85 -1.25 -3.43 118.16 118.56 2wh4 n LYS 25 Ca -0.01 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.95 2wh4 n LYS 25 Cb 0.66 -0.60 -0.16 0.00 -0.65 0.00 0.00 35.03 34.28 2wh4 n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2wh4 s VAL 26 N -0.25 1.91 0.04 0.58 1.01 -0.30 -2.35 120.40 121.04 2wh4 s VAL 26 Ca 0.37 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2wh4 s VAL 26 Cb -0.53 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2wh4 s VAL 26 CO 0.27 0.51 -0.12 -0.54 0.00 0.00 0.00 175.10 175.21 2wh4 s LYS 27 N -0.66 2.26 0.37 2.72 1.02 -1.23 0.33 119.74 124.55 2wh4 s LYS 27 Ca 0.09 -0.89 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 2wh4 s LYS 27 Cb -0.09 -2.33 0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2wh4 s LYS 27 CO -0.01 0.56 0.70 0.41 -0.92 0.00 0.00 175.35 176.10 2wh4 n GLY 28 N 1.41 1.21 0.37 -3.33 0.00 -1.17 -3.35 105.19 100.34 2wh4 n GLY 28 Ca -0.15 -1.30 0.23 0.00 0.00 0.00 0.00 46.02 44.80 2wh4 n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh4 n PRO 29 N -0.51 0.01 -0.01 1.61 -0.02 -1.26 -2.72 135.00 132.09 2wh4 n PRO 29 Ca -0.07 0.65 -0.05 0.00 -2.02 0.00 0.00 63.50 62.02 2wh4 n PRO 29 Cb 0.56 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 2wh4 n PRO 29 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wh4 n LYS 30 N -2.73 0.22 -3.82 -0.52 5.02 -1.26 -5.14 118.16 109.92 2wh4 n LYS 30 Ca 0.19 0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.49 2wh4 n LYS 30 Cb 1.07 -0.89 0.01 0.00 -0.02 0.00 0.00 35.03 35.20 2wh4 n LYS 30 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wh4 s GLY 31 N -4.47 0.22 0.04 0.72 0.00 -1.10 -5.13 107.32 97.59 2wh4 s GLY 31 Ca -0.13 -0.58 -0.20 0.00 0.00 0.00 0.00 44.72 43.82 2wh4 s GLY 31 CO 0.18 0.06 0.58 1.85 0.00 0.00 0.00 173.10 175.77 2wh4 s GLU 32 N -2.66 4.25 -0.25 2.90 2.12 -1.25 -3.02 118.70 120.79 2wh4 s GLU 32 Ca 0.15 0.73 -0.02 0.00 0.36 0.00 0.00 54.97 56.19 2wh4 s GLU 32 Cb -0.05 -3.29 0.08 0.00 0.26 0.00 0.00 34.13 31.14 2wh4 s GLU 32 CO 0.09 0.52 0.06 -0.51 -0.54 0.00 0.00 175.26 174.88 2wh4 s LEU 33 N -0.69 1.71 0.52 2.70 1.43 0.15 -4.88 118.68 119.61 2wh4 s LEU 33 Ca 0.30 -1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 51.99 2wh4 s LEU 33 Cb -0.19 -0.74 -0.07 0.00 0.03 0.00 0.00 46.19 45.22 2wh4 s LEU 33 CO 0.18 -0.35 1.04 -1.61 0.23 0.00 0.00 176.35 175.84 2wh4 s GLU 34 N 1.73 3.67 -0.48 1.70 2.02 -1.26 -1.14 118.70 124.94 2wh4 s GLU 34 Ca 0.04 1.29 0.05 0.00 0.02 0.00 0.00 54.97 56.36 2wh4 s GLU 34 Cb -0.17 -2.08 0.19 0.00 0.10 0.00 0.00 34.13 32.17 2wh4 s GLU 34 CO -0.17 -0.53 0.42 0.28 0.02 0.00 0.00 175.26 175.29 2wh4 n VAL 35 N -1.31 -0.39 -1.40 2.63 0.31 -1.26 -4.82 118.33 112.09 2wh4 n VAL 35 Ca 0.09 -3.90 -0.19 0.00 -0.01 0.00 0.00 64.34 60.33 2wh4 n VAL 35 Cb 0.53 -1.83 -0.20 0.00 -0.91 0.00 0.00 33.84 31.42 2wh4 n VAL 35 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wh4 n PRO 36 N 2.31 0.00 -3.46 5.55 -0.04 -1.26 -4.48 135.00 133.62 2wh4 n PRO 36 Ca 0.27 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.37 2wh4 n PRO 36 Cb 0.46 -0.96 -0.06 0.00 -0.04 0.00 0.00 33.50 32.90 2wh4 n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wh4 s VAL 37 N 0.00 4.97 -0.19 0.52 1.01 -0.24 -5.01 120.40 121.46 2wh4 s VAL 37 Ca 1.16 0.72 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 2wh4 s VAL 37 Cb -0.75 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2wh4 s VAL 37 CO 0.50 0.35 1.71 -0.55 0.00 0.00 0.00 175.10 177.11 2wh4 s SER 38 N -1.56 6.31 -0.64 3.32 0.15 -1.26 -4.22 113.70 115.79 2wh4 s SER 38 Ca 0.33 1.77 -0.24 0.00 0.70 0.00 0.00 55.95 58.50 2wh4 s SER 38 Cb -0.15 -2.53 -0.24 0.00 -1.71 0.00 0.00 66.02 61.38 2wh4 s SER 38 CO 0.18 -1.29 1.80 -2.65 1.20 0.00 0.00 173.24 172.47 2wh4 n PRO 39 N 7.73 0.05 -3.70 5.44 -0.02 -1.26 -4.74 135.00 138.51 2wh4 n PRO 39 Ca 0.20 -1.28 -0.14 0.00 -2.02 0.00 0.00 63.50 60.26 2wh4 n PRO 39 Cb 0.45 -3.15 -0.14 0.00 -0.02 0.00 0.00 33.50 30.64 2wh4 n PRO 39 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wh4 s GLU 40 N 7.56 0.12 0.00 -0.52 0.41 -1.26 -4.90 118.70 120.12 2wh4 s GLU 40 Ca 0.67 0.58 0.00 0.00 -0.41 0.00 0.00 54.97 55.81 2wh4 s GLU 40 Cb 0.01 -0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.22 2wh4 s GLU 40 CO 0.21 -0.24 0.00 -1.33 -0.49 0.00 0.00 175.26 173.41 2wh4 n MET 41 N 4.86 0.00 -1.79 1.61 2.81 -1.26 -4.83 117.12 118.52 2wh4 n MET 41 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 2wh4 n MET 41 Cb 0.51 -0.12 0.00 0.00 -0.71 0.00 0.00 33.22 32.90 2wh4 n MET 41 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2wh4 n ARG 42 N 0.00 -4.49 -3.64 0.03 0.63 -1.26 -4.84 116.66 103.09 2wh4 n ARG 42 Ca 0.00 3.28 -0.05 0.00 -0.92 0.00 0.00 57.85 60.16 2wh4 n ARG 42 Cb 0.00 -3.72 -0.07 0.00 0.45 0.00 0.00 32.46 29.12 2wh4 n ARG 42 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2wh4 s VAL 43 N -2.51 -0.81 0.26 5.15 -7.23 -1.26 -4.64 120.40 109.35 2wh4 s VAL 43 Ca 0.00 0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2wh4 s VAL 43 Cb 0.00 -0.82 0.05 0.00 0.56 0.00 0.00 36.38 36.17 2wh4 s VAL 43 CO 0.00 0.03 0.35 0.52 -0.31 0.00 0.00 175.10 175.70 2wh4 n VAL 44 N 5.42 0.00 0.14 1.32 0.31 -1.26 -4.94 118.33 119.31 2wh4 n VAL 44 Ca -0.10 -0.71 0.08 0.00 -0.01 0.00 0.00 64.34 63.61 2wh4 n VAL 44 Cb 0.49 -0.97 0.43 0.00 -0.91 0.00 0.00 33.84 32.88 2wh4 n VAL 44 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2wh4 n VAL 45 N -1.70 1.04 0.00 2.52 0.31 -1.26 -4.47 118.33 114.77 2wh4 n VAL 45 Ca 0.07 0.70 0.00 0.00 -0.01 0.00 0.00 64.34 65.10 2wh4 n VAL 45 Cb 0.24 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 2wh4 n VAL 45 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2wh4 n GLU 46 N -2.06 0.00 -0.52 5.55 0.28 -1.26 -4.34 120.64 118.29 2wh4 n GLU 46 Ca -0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.06 2wh4 n GLU 46 Cb 0.12 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.97 2wh4 n GLU 46 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2wh4 n GLU 47 N 0.00 -1.06 0.00 3.44 2.13 -1.26 -4.03 120.64 119.86 2wh4 n GLU 47 Ca 0.00 0.70 0.05 0.00 0.66 0.00 0.00 57.16 58.57 2wh4 n GLU 47 Cb 0.00 -1.29 0.29 0.00 0.27 0.00 0.00 31.44 30.71 2wh4 n GLU 47 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh4 n GLY 48 N -2.19 -0.44 0.00 8.31 0.00 -1.26 -4.73 105.19 104.88 2wh4 n GLY 48 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wh4 n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wh4 n VAL 49 N -1.11 0.00 -5.25 1.61 0.24 -1.26 -2.72 118.33 109.85 2wh4 n VAL 49 Ca 0.07 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.06 2wh4 n VAL 49 Cb 0.05 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.26 2wh4 n VAL 49 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2wh4 s VAL 50 N -1.63 2.00 0.46 3.34 1.01 -1.26 -4.28 120.40 120.03 2wh4 s VAL 50 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 60.98 2wh4 s VAL 50 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2wh4 s VAL 50 CO 0.00 0.56 0.24 -0.13 0.00 0.00 0.00 175.10 175.77 2wh4 s ARG 51 N -0.37 2.26 -0.30 2.72 0.52 -1.26 -5.10 118.95 117.42 2wh4 s ARG 51 Ca 0.03 -1.92 -0.01 0.00 -0.52 0.00 0.00 55.73 53.31 2wh4 s ARG 51 Cb -0.12 -2.01 0.19 0.00 0.52 0.00 0.00 34.95 33.53 2wh4 s ARG 51 CO 0.01 -0.28 0.60 0.08 0.02 0.00 0.00 175.30 175.73 2wh4 s VAL 52 N -2.66 -0.99 0.45 3.52 1.01 -1.26 -4.76 120.40 115.70 2wh4 s VAL 52 Ca 0.36 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.41 2wh4 s VAL 52 Cb 0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2wh4 s VAL 52 CO 0.21 -0.00 0.29 -1.61 0.00 0.00 0.00 175.10 173.98 2wh4 s GLU 53 N 2.85 2.33 0.21 2.72 2.02 -1.26 -5.03 118.70 122.54 2wh4 s GLU 53 Ca 0.20 -1.81 -0.16 0.00 0.02 0.00 0.00 54.97 53.22 2wh4 s GLU 53 Cb -0.15 -2.12 0.02 0.00 0.10 0.00 0.00 34.13 31.98 2wh4 s GLU 53 CO -0.21 -0.26 0.51 -0.98 0.02 0.00 0.00 175.26 174.34 2wh4 s ARG 54 N -4.06 1.44 0.00 1.61 1.70 -1.26 -4.74 118.95 113.64 2wh4 s ARG 54 Ca 0.41 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.67 2wh4 s ARG 54 Cb 0.00 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 2wh4 s ARG 54 CO 0.23 -0.61 0.00 -0.35 -1.08 0.00 0.00 175.30 173.49 2wh4 n PRO 55 N -0.35 1.04 -1.19 3.89 -0.04 -1.26 -5.00 135.00 132.10 2wh4 n PRO 55 Ca -0.07 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.01 2wh4 n PRO 55 Cb 0.62 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.10 2wh4 n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wh4 n SER 56 N -0.73 -4.04 -4.22 3.54 3.41 -1.26 -4.65 113.62 105.67 2wh4 n SER 56 Ca 0.00 0.52 -0.32 0.00 -0.26 0.00 0.00 58.87 58.82 2wh4 n SER 56 Cb 0.00 -0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 63.01 2wh4 n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wh4 n ASP 57 N 2.49 2.45 -4.56 4.04 8.00 -1.26 -4.85 116.55 122.86 2wh4 n ASP 57 Ca 0.06 -2.64 -0.35 0.00 0.71 0.00 0.00 54.79 52.57 2wh4 n ASP 57 Cb 0.50 -1.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.03 2wh4 n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wh4 s GLU 58 N 6.48 3.83 0.19 -1.24 2.02 -1.26 -4.96 118.70 123.75 2wh4 s GLU 58 Ca 0.68 -0.41 -0.10 0.00 0.02 0.00 0.00 54.97 55.16 2wh4 s GLU 58 Cb 0.04 -3.20 0.25 0.00 0.10 0.00 0.00 34.13 31.32 2wh4 s GLU 58 CO 0.16 0.13 1.15 0.54 0.02 0.00 0.00 175.26 177.26 2wh4 n ARG 59 N 3.94 -0.13 -0.15 1.61 5.12 -1.26 0.16 116.66 125.96 2wh4 n ARG 59 Ca -0.17 1.14 0.06 0.00 -1.93 0.00 0.00 57.85 56.96 2wh4 n ARG 59 Cb 0.52 -1.70 0.37 0.00 -1.16 0.00 0.00 32.46 30.49 2wh4 n ARG 59 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2wh4 h ARG 60 N 0.00 0.69 0.18 5.56 9.65 -1.97 -0.82 114.38 127.66 2wh4 h ARG 60 Ca 0.30 -0.04 -0.30 0.00 -1.10 0.00 0.00 59.98 58.83 2wh4 h ARG 60 Cb 0.48 -0.16 0.02 0.00 -1.39 0.00 0.00 29.97 28.93 2wh4 h ARG 60 CO -0.74 0.46 -1.33 0.45 2.80 0.00 0.00 179.97 181.60 2wh4 h HIS 61 N 0.71 0.80 -0.69 2.20 3.86 0.12 -2.42 115.15 119.73 2wh4 h HIS 61 Ca 0.28 -0.56 0.08 0.00 -1.16 0.00 0.00 60.37 59.01 2wh4 h HIS 61 Cb 0.22 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 2wh4 h HIS 61 CO -0.00 1.43 0.36 0.87 0.86 0.00 0.00 177.93 181.45 2wh4 h LYS 62 N 0.15 0.62 0.51 2.45 1.57 0.59 -0.24 116.57 122.21 2wh4 h LYS 62 Ca -0.19 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 2wh4 h LYS 62 Cb 2.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2wh4 h LYS 62 CO 0.24 0.41 -0.24 0.77 -0.57 0.00 0.00 179.45 180.05 2wh4 h SER 63 N 0.64 -0.58 -0.57 0.86 0.02 -1.21 -3.29 113.55 109.41 2wh4 h SER 63 Ca 0.33 -0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.32 2wh4 h SER 63 Cb 0.29 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.87 2wh4 h SER 63 CO -0.23 -0.17 -0.48 -0.07 -1.14 0.00 0.00 176.83 174.74 2wh4 h LEU 64 N -1.11 -1.66 -9.53 5.07 3.38 -1.30 -1.86 115.31 108.30 2wh4 h LEU 64 Ca -0.07 0.25 -0.54 0.00 0.09 0.00 0.00 57.88 57.61 2wh4 h LEU 64 Cb 0.58 0.73 0.05 0.00 0.09 0.00 0.00 40.66 42.10 2wh4 h LEU 64 CO 0.11 -0.35 1.04 1.57 0.09 0.00 0.00 178.44 180.91 2wh4 n HIS 65 N -5.39 2.59 0.00 1.13 -0.00 -0.11 0.10 115.22 113.54 2wh4 n HIS 65 Ca 0.00 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.15 2wh4 n HIS 65 Cb 0.34 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.52 2wh4 n HIS 65 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2wh4 n GLY 66 N 4.06 2.93 0.27 1.57 0.00 -1.25 -4.69 105.19 108.08 2wh4 n GLY 66 Ca 0.18 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.49 2wh4 n GLY 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wh4 h LEU 67 N 0.00 0.19 0.00 0.99 5.85 0.55 0.13 115.31 123.02 2wh4 h LEU 67 Ca 0.00 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 2wh4 h LEU 67 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2wh4 h LEU 67 CO 0.00 0.20 -0.59 0.74 -0.34 0.00 0.00 178.44 178.45 2wh4 h THR 68 N 0.22 0.93 -0.46 1.05 2.02 -1.21 -3.23 112.91 112.23 2wh4 h THR 68 Ca 0.06 -1.90 0.04 0.00 0.77 0.00 0.00 66.41 65.38 2wh4 h THR 68 Cb 0.09 1.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.40 2wh4 h THR 68 CO -0.00 0.31 -0.27 -1.14 0.37 0.00 0.00 175.52 174.79 2wh4 n ARG 69 N -4.56 -0.20 0.00 6.66 0.63 -0.92 -0.11 116.66 118.15 2wh4 n ARG 69 Ca -0.17 1.16 0.13 0.00 -0.92 0.00 0.00 57.85 58.05 2wh4 n ARG 69 Cb 0.47 -1.71 0.67 0.00 0.45 0.00 0.00 32.46 32.33 2wh4 n ARG 69 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2wh4 n THR 70 N -4.03 0.13 0.05 5.15 -2.24 0.40 -2.75 114.28 110.98 2wh4 n THR 70 Ca 0.01 0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.62 2wh4 n THR 70 Cb 0.12 -0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 67.62 2wh4 n THR 70 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wh4 h LEU 71 N 0.00 0.47 -0.47 3.22 6.46 -0.53 -3.20 115.31 121.26 2wh4 h LEU 71 Ca 0.00 -0.93 -0.17 0.00 -0.12 0.00 0.00 57.88 56.65 2wh4 h LEU 71 Cb 0.29 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 2wh4 h LEU 71 CO 0.00 1.45 -0.68 0.16 -0.62 0.00 0.00 178.44 178.74 2wh4 h ILE 72 N -0.34 1.38 0.00 4.05 3.07 -0.92 -2.62 117.51 122.13 2wh4 h ILE 72 Ca -0.18 -2.08 -0.02 0.00 1.55 0.00 0.00 64.86 64.14 2wh4 h ILE 72 Cb 1.68 2.06 -0.00 0.00 -0.27 0.00 0.00 36.82 40.29 2wh4 h ILE 72 CO 0.14 0.62 -0.08 0.00 -1.05 0.00 0.00 178.15 177.79 2wh4 h ALA 73 N 1.00 1.56 0.00 0.16 0.00 -1.63 0.68 119.26 121.03 2wh4 h ALA 73 Ca -0.02 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2wh4 h ALA 73 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2wh4 h ALA 73 CO 0.12 0.10 -0.73 -0.91 0.00 0.00 0.00 179.25 177.82 2wh4 h ASN 74 N 0.00 0.00 -0.05 0.00 2.35 -1.50 -2.94 115.58 113.43 2wh4 h ASN 74 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 2wh4 h ASN 74 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2wh4 h ASN 74 CO 0.01 0.73 -0.67 0.00 -1.65 0.00 0.00 177.43 175.86 2wh4 h ALA 75 N 1.27 0.49 0.75 -0.83 0.00 0.36 -2.72 119.26 118.58 2wh4 h ALA 75 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2wh4 h ALA 75 Cb 1.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2wh4 h ALA 75 CO 0.10 0.70 -0.49 0.28 0.00 0.00 0.00 179.25 179.84 2wh4 h VAL 76 N 0.49 0.02 0.00 0.00 2.07 0.13 0.76 116.25 119.71 2wh4 h VAL 76 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2wh4 h VAL 76 Cb 1.27 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2wh4 h VAL 76 CO 0.13 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.01 2wh4 n LYS 77 N -5.62 0.20 0.29 1.57 5.02 -1.12 -2.67 118.16 115.83 2wh4 n LYS 77 Ca -0.14 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.30 2wh4 n LYS 77 Cb 0.50 -1.19 0.88 0.00 -0.02 0.00 0.00 35.03 35.20 2wh4 n LYS 77 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wh4 h GLY 78 N 1.14 0.00 0.00 0.72 0.00 -0.51 -2.50 103.07 101.92 2wh4 h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wh4 h GLY 78 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2wh4 n VAL 79 N -3.63 0.00 0.72 4.60 0.24 -1.09 -4.44 118.33 114.73 2wh4 n VAL 79 Ca -0.02 -0.44 0.04 0.00 -2.04 0.00 0.00 64.34 61.88 2wh4 n VAL 79 Cb 0.15 1.07 0.15 0.00 -1.47 0.00 0.00 33.84 33.74 2wh4 n VAL 79 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2wh4 n SER 80 N -0.36 2.15 -1.57 -1.34 7.64 -0.97 -4.39 113.62 114.80 2wh4 n SER 80 Ca 0.00 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.74 2wh4 n SER 80 Cb 0.02 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2wh4 n SER 80 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wh4 n GLU 81 N 0.37 -2.64 -0.30 1.43 1.02 -1.07 -4.99 120.64 114.45 2wh4 n GLU 81 Ca 0.11 2.16 0.07 0.00 -0.02 0.00 0.00 57.16 59.48 2wh4 n GLU 81 Cb 0.40 -2.48 0.12 0.00 -0.02 0.00 0.00 31.44 29.46 2wh4 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wh4 n GLY 82 N 0.92 3.87 0.00 0.62 0.00 -1.22 -4.93 105.19 104.45 2wh4 n GLY 82 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2wh4 n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wh4 n TYR 83 N -1.02 0.00 -0.69 1.61 4.02 -0.78 -4.50 117.16 115.81 2wh4 n TYR 83 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2wh4 n TYR 83 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 2wh4 n TYR 83 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wh4 n SER 84 N 0.00 -0.14 -2.50 7.72 3.41 -1.24 -3.87 113.62 116.99 2wh4 n SER 84 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2wh4 n SER 84 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wh4 n SER 84 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2wh4 n LYS 85 N 0.00 -2.30 -4.22 4.33 4.81 -1.26 -3.18 118.16 116.34 2wh4 n LYS 85 Ca 0.00 2.03 -0.29 0.00 -0.87 0.00 0.00 58.31 59.19 2wh4 n LYS 85 Cb 0.00 -4.61 -0.09 0.00 0.02 0.00 0.00 35.03 30.35 2wh4 n LYS 85 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2wh4 s GLU 86 N -1.77 2.23 0.18 1.64 1.03 -1.26 -0.28 118.70 120.46 2wh4 s GLU 86 Ca 0.10 -1.05 0.05 0.00 0.03 0.00 0.00 54.97 54.10 2wh4 s GLU 86 Cb -0.03 -2.33 -0.05 0.00 -0.80 0.00 0.00 34.13 30.93 2wh4 s GLU 86 CO 0.61 0.49 -0.09 -0.51 -1.33 0.00 0.00 175.26 174.43 2wh4 s LEU 87 N -2.45 2.46 0.00 1.83 1.43 0.26 -4.33 118.68 117.87 2wh4 s LEU 87 Ca 0.24 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 2wh4 s LEU 87 Cb -0.10 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.70 2wh4 s LEU 87 CO 0.16 -0.34 0.00 0.18 0.23 0.00 0.00 176.35 176.58 2wh4 n LEU 88 N -0.30 0.00 0.00 1.79 7.99 -1.18 -1.67 117.00 123.63 2wh4 n LEU 88 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2wh4 n LEU 88 Cb 0.61 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 2wh4 n LEU 88 CO 0.34 0.00 0.00 2.30 -1.51 0.00 0.00 177.39 178.52 2wh4 n ILE 89 N 0.00 0.00 0.00 -0.08 -6.64 -1.26 -4.38 119.36 107.00 2wh4 n ILE 89 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2wh4 n ILE 89 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 2wh4 n ILE 89 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2wh4 n LYS 90 N -0.05 0.00 -1.20 6.28 5.02 -1.25 -3.59 118.16 123.36 2wh4 n LYS 90 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 2wh4 n LYS 90 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2wh4 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh4 n GLY 91 N 0.00 -2.48 0.00 0.72 0.00 -1.26 -4.19 105.19 97.97 2wh4 n GLY 91 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2wh4 n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wh4 n ILE 92 N -3.99 0.00 0.03 -0.61 5.41 -1.26 -3.92 119.36 115.03 2wh4 n ILE 92 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 2wh4 n ILE 92 Cb 0.56 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2wh4 n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wh4 n GLY 93 N 0.34 0.05 3.53 7.39 0.00 -1.26 -4.60 105.19 110.64 2wh4 n GLY 93 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wh4 n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh4 s TYR 94 N -0.82 3.22 0.00 1.61 1.51 -1.25 -4.46 117.35 117.16 2wh4 s TYR 94 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 2wh4 s TYR 94 Cb 0.00 -2.55 0.00 0.00 -0.11 0.00 0.00 41.96 39.30 2wh4 s TYR 94 CO 0.00 -0.40 0.00 2.89 -1.11 0.00 0.00 175.55 176.93 2wh4 n ARG 95 N 5.21 0.00 -1.63 -0.62 1.85 -1.25 -4.52 116.66 115.70 2wh4 n ARG 95 Ca -0.11 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.29 2wh4 n ARG 95 Cb 0.49 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.88 2wh4 n ARG 95 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wh4 n ALA 96 N 0.00 0.36 -3.59 2.89 0.00 -1.04 -4.50 120.51 114.64 2wh4 n ALA 96 Ca 0.00 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.75 2wh4 n ALA 96 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2wh4 n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wh4 n ARG 97 N 1.13 1.24 -4.03 0.00 0.63 -1.17 -4.43 116.66 110.03 2wh4 n ARG 97 Ca 0.10 -1.02 -0.31 0.00 -0.92 0.00 0.00 57.85 55.70 2wh4 n ARG 97 Cb 0.32 0.10 -0.06 0.00 0.45 0.00 0.00 32.46 33.27 2wh4 n ARG 97 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2wh4 s LEU 98 N 0.00 3.90 -0.43 6.15 2.96 -1.26 -3.17 118.68 126.82 2wh4 s LEU 98 Ca 0.09 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 2wh4 s LEU 98 Cb -0.01 -2.55 0.26 0.00 0.50 0.00 0.00 46.19 44.39 2wh4 s LEU 98 CO 0.06 0.18 0.58 0.55 -1.32 0.00 0.00 176.35 176.40 2wh4 n VAL 99 N 0.47 -0.07 -2.56 1.68 3.14 -0.31 -4.94 118.33 115.74 2wh4 n VAL 99 Ca -0.08 -4.28 0.00 0.00 -2.96 0.00 0.00 64.34 57.01 2wh4 n VAL 99 Cb 0.52 -1.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.43 2wh4 n VAL 99 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wh4 n GLY 100 N 1.21 -1.67 0.76 7.55 0.00 -1.26 -3.63 105.19 108.16 2wh4 n GLY 100 Ca 0.23 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2wh4 n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 n ARG 101 N 0.00 0.59 -4.27 1.61 1.74 -1.26 -4.60 116.66 110.46 2wh4 n ARG 101 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2wh4 n ARG 101 Cb 0.00 -1.25 -0.13 0.00 -1.02 0.00 0.00 32.46 30.06 2wh4 n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh4 s ALA 102 N -0.26 0.86 0.83 7.54 0.00 -1.24 -4.42 121.76 125.07 2wh4 s ALA 102 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2wh4 s ALA 102 Cb 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 23.12 23.14 2wh4 s ALA 102 CO 0.00 0.15 0.96 -0.11 0.00 0.00 0.00 175.76 176.75 2wh4 n LEU 103 N 2.15 0.00 -3.15 0.00 7.94 -1.26 -1.16 117.00 121.51 2wh4 n LEU 103 Ca -0.17 -1.49 0.05 0.00 -1.11 0.00 0.00 56.01 53.29 2wh4 n LEU 103 Cb 0.56 -0.68 -0.01 0.00 0.53 0.00 0.00 43.42 43.82 2wh4 n LEU 103 CO 0.23 -1.09 0.41 -0.70 -1.11 0.00 0.00 177.39 175.13 2wh4 s GLU 104 N -5.00 0.29 0.19 1.96 2.56 -1.19 -4.40 118.70 113.10 2wh4 s GLU 104 Ca 0.58 0.36 -0.16 0.00 0.00 0.00 0.00 54.97 55.76 2wh4 s GLU 104 Cb -0.02 0.18 -0.07 0.00 2.00 0.00 0.00 34.13 36.21 2wh4 s GLU 104 CO 0.40 -0.46 0.61 -0.51 -0.56 0.00 0.00 175.26 174.74 2wh4 s LEU 105 N 2.92 4.31 -0.29 2.70 2.01 -1.19 -3.04 118.68 126.09 2wh4 s LEU 105 Ca 0.16 1.18 0.00 0.00 0.01 0.00 0.00 54.13 55.48 2wh4 s LEU 105 Cb -0.07 -3.44 0.14 0.00 0.01 0.00 0.00 46.19 42.83 2wh4 s LEU 105 CO -0.21 0.05 0.31 -0.89 1.01 0.00 0.00 176.35 176.63 2wh4 s THR 106 N -1.54 -0.43 -0.27 5.49 2.01 -1.26 -3.79 115.64 115.85 2wh4 s THR 106 Ca 0.41 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 2wh4 s THR 106 Cb -0.15 -0.97 0.11 0.00 0.01 0.00 0.00 72.50 71.50 2wh4 s THR 106 CO 0.20 -0.45 0.61 0.68 -0.69 0.00 0.00 174.62 174.96 2wh4 s VAL 107 N 2.33 -0.65 0.00 3.82 -7.23 -1.26 -3.75 120.40 113.66 2wh4 s VAL 107 Ca 0.10 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2wh4 s VAL 107 Cb -0.14 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.88 2wh4 s VAL 107 CO -0.31 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2wh4 n GLY 108 N 5.10 1.05 2.52 2.32 0.00 -1.26 -4.93 105.19 109.99 2wh4 n GLY 108 Ca -0.14 0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 2wh4 n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wh4 n PHE 109 N 0.00 0.82 0.06 1.61 3.01 -1.26 -4.78 117.46 116.92 2wh4 n PHE 109 Ca 0.00 0.77 0.21 0.00 1.01 0.00 0.00 57.45 59.44 2wh4 n PHE 109 Cb 0.00 -1.50 0.74 0.00 -0.01 0.00 0.00 39.48 38.71 2wh4 n PHE 109 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2wh4 h SER 110 N 2.76 0.00 -3.13 4.37 4.64 -2.06 -3.35 113.55 116.77 2wh4 h SER 110 Ca -0.33 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.35 2wh4 h SER 110 Cb 0.97 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.71 2wh4 h SER 110 CO 0.56 0.00 -0.85 -2.28 -0.87 0.00 0.00 176.83 173.39 2wh4 s HIS 111 N -4.73 2.49 0.90 4.77 5.65 -1.26 -5.12 115.29 117.99 2wh4 s HIS 111 Ca -0.04 -1.38 -0.14 0.00 0.25 0.00 0.00 55.06 53.74 2wh4 s HIS 111 Cb 0.17 -1.75 -0.02 0.00 -1.18 0.00 0.00 32.58 29.80 2wh4 s HIS 111 CO 0.60 -0.69 0.20 -0.35 -0.65 0.00 0.00 174.74 173.85 2wh4 n PRO 112 N 4.49 -0.11 -3.72 2.88 -0.04 -1.26 -5.06 135.00 132.18 2wh4 n PRO 112 Ca -0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 2wh4 n PRO 112 Cb 0.50 -1.68 -0.13 0.00 -0.04 0.00 0.00 33.50 32.16 2wh4 n PRO 112 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wh4 s VAL 113 N -2.22 -0.06 0.00 0.52 0.11 -1.25 -5.13 120.40 112.38 2wh4 s VAL 113 Ca 0.55 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 2wh4 s VAL 113 Cb -0.24 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2wh4 s VAL 113 CO 0.68 0.06 0.00 1.33 -3.33 0.00 0.00 175.10 173.84 2wh4 n VAL 114 N 4.30 0.00 0.00 2.04 0.24 -1.26 -3.17 118.33 120.48 2wh4 n VAL 114 Ca -0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2wh4 n VAL 114 Cb 0.53 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.70 2wh4 n VAL 114 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2wh4 n VAL 115 N -0.03 0.00 -3.54 3.34 0.31 -1.26 -4.32 118.33 112.82 2wh4 n VAL 115 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2wh4 n VAL 115 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2wh4 n VAL 115 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2wh4 s GLU 116 N 4.63 0.77 -0.64 5.55 2.12 -1.26 -5.06 118.70 124.81 2wh4 s GLU 116 Ca 0.00 0.02 -0.27 0.00 0.36 0.00 0.00 54.97 55.08 2wh4 s GLU 116 Cb 0.00 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.76 2wh4 s GLU 116 CO 0.00 -0.27 1.43 -2.14 -0.54 0.00 0.00 175.26 173.74 2wh4 s PRO 117 N -1.77 3.15 -1.14 4.30 0.02 -1.26 -4.83 135.00 133.48 2wh4 s PRO 117 Ca -0.02 0.22 -0.15 0.00 0.02 0.00 0.00 61.00 61.07 2wh4 s PRO 117 Cb -0.01 -4.19 0.17 0.00 0.02 0.00 0.00 34.50 30.49 2wh4 s PRO 117 CO -0.00 -2.14 1.35 -1.25 -0.33 0.00 0.00 177.00 174.63 2wh4 s PRO 118 N 5.83 3.98 -0.59 5.54 0.04 -1.26 -4.97 135.00 143.58 2wh4 s PRO 118 Ca 0.48 -2.42 -0.26 0.00 0.04 0.00 0.00 61.00 58.84 2wh4 s PRO 118 Cb -0.10 -5.01 -0.15 0.00 0.04 0.00 0.00 34.50 29.28 2wh4 s PRO 118 CO 0.21 -1.75 1.79 -1.91 0.04 0.00 0.00 177.00 175.37 2wh4 n GLU 119 N 5.74 0.00 0.00 4.56 2.13 -1.26 -0.33 120.64 131.48 2wh4 n GLU 119 Ca 0.33 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2wh4 n GLU 119 Cb 0.44 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 31.08 2wh4 n GLU 119 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh4 n GLY 120 N 4.91 1.06 3.06 8.31 0.00 -1.26 -5.11 105.19 116.16 2wh4 n GLY 120 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 2wh4 n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wh4 s ILE 121 N -2.00 0.72 0.15 -0.61 1.01 0.55 -4.16 121.20 116.85 2wh4 s ILE 121 Ca 0.00 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 59.98 2wh4 s ILE 121 Cb 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2wh4 s ILE 121 CO 0.00 -0.06 -0.16 -0.89 0.00 0.00 0.00 174.94 173.83 2wh4 s THR 122 N -0.76 2.88 0.32 2.92 2.01 -0.27 -4.62 115.64 118.13 2wh4 s THR 122 Ca -0.02 -1.65 0.03 0.00 0.31 0.00 0.00 61.69 60.37 2wh4 s THR 122 Cb -0.07 -2.37 0.06 0.00 0.01 0.00 0.00 72.50 70.13 2wh4 s THR 122 CO 0.00 -0.01 0.45 0.49 -0.69 0.00 0.00 174.62 174.86 2wh4 n PHE 123 N 0.44 -2.82 -3.56 4.92 3.01 -1.26 0.34 117.46 118.52 2wh4 n PHE 123 Ca -0.13 -1.02 -0.01 0.00 1.01 0.00 0.00 57.45 57.30 2wh4 n PHE 123 Cb 0.54 -0.31 -0.05 0.00 -0.01 0.00 0.00 39.48 39.64 2wh4 n PHE 123 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2wh4 s GLU 124 N -3.50 0.39 -0.49 -1.08 0.41 -1.03 -4.57 118.70 108.84 2wh4 s GLU 124 Ca 0.32 0.80 0.08 0.00 -0.41 0.00 0.00 54.97 55.76 2wh4 s GLU 124 Cb -0.02 0.28 0.35 0.00 -1.78 0.00 0.00 34.13 32.96 2wh4 s GLU 124 CO 0.21 -0.10 0.88 0.28 -0.49 0.00 0.00 175.26 176.04 2wh4 n VAL 125 N 4.35 1.83 -1.76 2.63 0.31 -1.26 -2.61 118.33 121.81 2wh4 n VAL 125 Ca -0.15 -5.11 -0.38 0.00 -0.01 0.00 0.00 64.34 58.69 2wh4 n VAL 125 Cb 0.55 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 2wh4 n VAL 125 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wh4 n PRO 126 N -0.07 2.02 0.00 5.55 -0.04 -1.26 -4.44 135.00 136.76 2wh4 n PRO 126 Ca 0.29 -2.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 2wh4 n PRO 126 Cb 0.52 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 2wh4 n PRO 126 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh4 n GLU 127 N 7.48 0.00 0.11 0.54 1.02 -1.26 -4.64 120.64 123.89 2wh4 n GLU 127 Ca 0.48 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 2wh4 n GLU 127 Cb 0.43 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 32.31 2wh4 n GLU 127 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2wh4 n PRO 128 N 1.09 0.20 -0.95 3.49 -0.04 -1.26 -2.64 135.00 134.87 2wh4 n PRO 128 Ca 0.00 0.33 -0.02 0.00 -0.04 0.00 0.00 63.50 63.77 2wh4 n PRO 128 Cb 0.00 -1.82 0.32 0.00 -0.04 0.00 0.00 33.50 31.97 2wh4 n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wh4 n THR 129 N -2.17 2.78 -3.63 0.52 -2.24 -1.26 -2.48 114.28 105.79 2wh4 n THR 129 Ca 0.03 -1.48 -0.13 0.00 -2.27 0.00 0.00 64.05 60.20 2wh4 n THR 129 Cb 0.29 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 2wh4 n THR 129 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2wh4 s ARG 130 N -2.82 0.80 -0.25 -0.78 3.52 -1.08 -4.43 118.95 113.91 2wh4 s ARG 130 Ca 0.53 0.99 -0.06 0.00 -0.13 0.00 0.00 55.73 57.05 2wh4 s ARG 130 Cb 0.41 0.37 0.12 0.00 -1.56 0.00 0.00 34.95 34.30 2wh4 s ARG 130 CO 0.14 -0.10 0.51 0.08 -0.81 0.00 0.00 175.30 175.11 2wh4 s VAL 131 N 0.48 -0.80 0.42 7.11 1.01 -0.67 -3.98 120.40 123.97 2wh4 s VAL 131 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.10 2wh4 s VAL 131 Cb -0.05 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 2wh4 s VAL 131 CO -0.01 0.01 0.10 0.00 0.00 0.00 0.00 175.10 175.20 2wh4 s ARG 132 N 2.73 2.10 -0.10 2.72 1.70 -1.07 0.89 118.95 127.91 2wh4 s ARG 132 Ca 0.03 -1.98 0.04 0.00 -0.47 0.00 0.00 55.73 53.34 2wh4 s ARG 132 Cb -0.13 -1.82 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 2wh4 s ARG 132 CO -0.16 -0.10 -0.23 0.08 -1.08 0.00 0.00 175.30 173.81 2wh4 s VAL 133 N -2.66 2.00 -0.59 4.99 1.01 0.62 -2.45 120.40 123.32 2wh4 s VAL 133 Ca 0.37 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 2wh4 s VAL 133 Cb 0.07 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.73 2wh4 s VAL 133 CO 0.20 0.55 1.25 -0.44 0.00 0.00 0.00 175.10 176.66 2wh4 s SER 134 N 0.43 6.36 -0.01 3.32 0.01 0.15 -3.71 113.70 120.25 2wh4 s SER 134 Ca -0.17 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.24 2wh4 s SER 134 Cb -0.18 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 2wh4 s SER 134 CO 0.07 -1.56 -0.09 -0.83 0.41 0.00 0.00 173.24 171.24 2wh4 s GLY 135 N 3.34 1.69 -0.03 3.44 0.00 -1.25 -1.11 107.32 113.40 2wh4 s GLY 135 Ca 0.45 -1.02 0.09 0.00 0.00 0.00 0.00 44.72 44.24 2wh4 s GLY 135 CO 0.25 -0.87 0.18 1.39 0.00 0.00 0.00 173.10 174.05 2wh4 n ILE 136 N 1.74 0.13 0.00 0.90 5.41 -1.26 -1.87 119.36 124.42 2wh4 n ILE 136 Ca -0.16 -0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2wh4 n ILE 136 Cb 0.52 0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 2wh4 n ILE 136 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2wh4 n ASP 137 N -1.95 0.00 0.00 4.38 -0.08 -1.26 -4.55 116.55 113.09 2wh4 n ASP 137 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2wh4 n ASP 137 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 2wh4 n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2wh4 n LYS 138 N 0.00 0.00 0.25 -0.67 3.00 -1.26 -4.79 118.16 114.69 2wh4 n LYS 138 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.41 2wh4 n LYS 138 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 35.03 35.58 2wh4 n LYS 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 2wh4 h GLN 139 N 0.00 0.00 0.00 1.64 -0.00 -2.00 2.75 115.11 117.50 2wh4 h GLN 139 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.57 2wh4 h GLN 139 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 2wh4 h GLN 139 CO 0.00 0.00 -0.67 -0.22 -0.00 0.00 0.00 178.83 177.94 2wh4 h LYS 140 N 0.00 0.00 0.01 0.06 3.64 -1.99 -2.60 116.57 115.69 2wh4 h LYS 140 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 2wh4 h LYS 140 Cb 0.69 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2wh4 h LYS 140 CO 0.00 0.27 -1.15 -0.24 -2.27 0.00 0.00 179.45 176.07 2wh4 h VAL 141 N 0.00 1.00 -0.21 2.00 3.04 0.43 -3.14 116.25 119.37 2wh4 h VAL 141 Ca -0.04 -2.20 0.06 0.00 -1.01 0.00 0.00 66.70 63.51 2wh4 h VAL 141 Cb 1.29 2.36 -0.01 0.00 -2.01 0.00 0.00 31.29 32.92 2wh4 h VAL 141 CO 0.04 0.36 0.33 1.23 -1.01 0.00 0.00 177.57 178.52 2wh4 h GLY 142 N -0.93 0.00 0.32 3.17 0.00 -0.68 0.77 103.07 105.72 2wh4 h GLY 142 Ca -0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2wh4 h GLY 142 CO -0.18 0.00 -0.09 -1.61 0.00 0.00 0.00 176.54 174.66 2wh4 h GLN 143 N 0.00 -0.25 -0.52 4.80 5.75 -1.55 -3.15 115.11 120.20 2wh4 h GLN 143 Ca 0.10 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.77 2wh4 h GLN 143 Cb 0.76 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 2wh4 h GLN 143 CO -0.00 0.11 0.43 0.28 -2.65 0.00 0.00 178.83 177.00 2wh4 h VAL 144 N -0.94 0.57 0.00 2.39 2.07 -0.86 0.37 116.25 119.85 2wh4 h VAL 144 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2wh4 h VAL 144 Cb 0.48 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2wh4 h VAL 144 CO 0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2wh4 n ALA 145 N -2.53 -0.04 -0.37 1.67 0.00 -0.41 -0.91 120.51 117.93 2wh4 n ALA 145 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.58 2wh4 n ALA 145 Cb 0.64 0.02 0.12 0.00 0.00 0.00 0.00 19.45 20.22 2wh4 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 146 N -0.67 0.16 -0.32 0.00 0.00 -1.04 0.88 120.51 119.53 2wh4 n ALA 146 Ca 0.00 1.07 -0.00 0.00 0.00 0.00 0.00 53.44 54.51 2wh4 n ALA 146 Cb 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 19.45 18.90 2wh4 n ALA 146 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wh4 h ASN 147 N 0.00 -1.15 0.62 0.00 -0.26 -0.82 1.33 115.58 115.31 2wh4 h ASN 147 Ca 0.45 0.27 -0.28 0.00 -0.56 0.00 0.00 56.30 56.19 2wh4 h ASN 147 Cb 0.70 0.64 0.00 0.00 -1.06 0.00 0.00 38.32 38.60 2wh4 h ASN 147 CO -1.02 -0.29 -1.26 0.40 -1.06 0.00 0.00 177.43 174.20 2wh4 h ILE 148 N -0.04 1.48 -0.92 2.81 1.08 0.20 -3.22 117.51 118.89 2wh4 h ILE 148 Ca 0.35 -3.05 0.16 0.00 -0.39 0.00 0.00 64.86 61.92 2wh4 h ILE 148 Cb 0.61 2.94 -0.10 0.00 -3.07 0.00 0.00 36.82 37.19 2wh4 h ILE 148 CO -0.89 0.89 0.52 -0.09 -0.69 0.00 0.00 178.15 177.89 2wh4 h ARG 149 N 0.07 0.70 0.00 2.37 9.65 0.33 -0.80 114.38 126.70 2wh4 h ARG 149 Ca -0.14 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2wh4 h ARG 149 Cb 1.97 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 30.40 2wh4 h ARG 149 CO 0.20 0.46 0.00 0.00 2.80 0.00 0.00 179.97 183.44 2wh4 n ALA 150 N -2.38 2.52 0.07 2.80 0.00 0.43 -3.51 120.51 120.44 2wh4 n ALA 150 Ca 0.19 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2wh4 n ALA 150 Cb 0.47 -1.49 0.44 0.00 0.00 0.00 0.00 19.45 18.87 2wh4 n ALA 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wh4 h ILE 151 N 0.00 1.11 -3.37 0.00 1.08 -1.19 -3.40 117.51 111.74 2wh4 h ILE 151 Ca 0.00 -0.32 -0.31 0.00 -0.39 0.00 0.00 64.86 63.84 2wh4 h ILE 151 Cb 0.20 0.76 -0.35 0.00 -3.07 0.00 0.00 36.82 34.36 2wh4 h ILE 151 CO 0.00 0.13 -0.70 -0.13 -0.69 0.00 0.00 178.15 176.76 2wh4 s ARG 152 N -5.23 -0.02 -0.00 2.37 1.81 -1.23 -5.08 118.95 111.57 2wh4 s ARG 152 Ca -0.07 0.31 -0.25 0.00 -1.72 0.00 0.00 55.73 54.00 2wh4 s ARG 152 Cb 0.17 -0.31 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 2wh4 s ARG 152 CO 0.72 -0.23 0.77 -1.59 -0.68 0.00 0.00 175.30 174.30 2wh4 s LYS 153 N 1.51 4.48 -0.11 3.54 0.00 -1.26 -3.43 119.74 124.47 2wh4 s LYS 153 Ca -0.04 1.04 -0.30 0.00 0.00 0.00 0.00 55.97 56.68 2wh4 s LYS 153 Cb -0.12 -3.41 -0.02 0.00 0.00 0.00 0.00 37.83 34.28 2wh4 s LYS 153 CO -0.04 0.16 1.14 -1.25 0.00 0.00 0.00 175.35 175.36 2wh4 s PRO 154 N 0.40 4.34 0.00 1.78 0.04 -1.26 -4.63 135.00 135.67 2wh4 s PRO 154 Ca 0.40 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2wh4 s PRO 154 Cb -0.20 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2wh4 s PRO 154 CO 0.22 -0.48 0.00 0.45 0.04 0.00 0.00 177.00 177.23 2wh4 n SER 155 N 5.51 0.00 0.00 6.66 2.88 -1.24 -4.97 113.62 122.47 2wh4 n SER 155 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2wh4 n SER 155 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2wh4 n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wh4 n ALA 156 N -0.42 0.00 0.00 -1.46 0.00 -1.26 -4.69 120.51 112.68 2wh4 n ALA 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 156 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wh4 n ALA 156 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wh4 n TYR 157 N 0.00 0.00 0.00 0.00 9.36 -1.26 -5.05 117.16 120.21 2wh4 n TYR 157 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2wh4 n TYR 157 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2wh4 n TYR 157 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2wh4 n HIS 158 N 0.00 0.00 0.00 2.98 8.25 -1.26 -3.09 115.22 122.09 2wh4 n HIS 158 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wh4 n HIS 158 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wh4 n HIS 158 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2wh4 n GLU 159 N -0.22 0.00 0.00 -0.41 4.07 -1.26 -4.83 120.64 117.99 2wh4 n GLU 159 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wh4 n GLU 159 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2wh4 n GLU 159 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2wh4 n LYS 160 N 0.00 3.04 0.00 5.31 2.85 -1.26 -4.68 118.16 123.41 2wh4 n LYS 160 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2wh4 n LYS 160 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2wh4 n LYS 160 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wh4 n GLY 161 N 3.93 0.47 3.84 2.58 0.00 -1.24 -3.63 105.19 111.14 2wh4 n GLY 161 Ca 0.00 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 2wh4 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wh4 s ILE 162 N -2.23 4.61 0.06 -0.61 1.01 -1.22 -3.92 121.20 118.90 2wh4 s ILE 162 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 60.65 61.75 2wh4 s ILE 162 Cb 0.00 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 2wh4 s ILE 162 CO 0.00 -0.13 0.03 -1.22 0.00 0.00 0.00 174.94 173.62 2wh4 n TYR 163 N -0.20 -0.05 0.00 3.97 4.02 -1.26 -4.36 117.16 119.28 2wh4 n TYR 163 Ca 0.03 -0.42 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 2wh4 n TYR 163 Cb 0.53 0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 2wh4 n TYR 163 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wh4 n TYR 164 N -0.12 0.00 -1.42 -0.72 4.02 -1.26 -3.09 117.16 114.57 2wh4 n TYR 164 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wh4 n TYR 164 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2wh4 n TYR 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wh4 n ALA 165 N -3.00 0.00 -1.00 -0.72 0.00 -1.26 -3.96 120.51 110.56 2wh4 n ALA 165 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 165 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wh4 n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 166 N 0.00 -2.27 3.24 0.00 0.00 -1.26 -5.07 105.19 99.83 2wh4 n GLY 166 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 2wh4 n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wh4 s GLU 167 N 0.00 1.03 0.16 1.61 2.02 -1.26 -5.15 118.70 117.12 2wh4 s GLU 167 Ca 0.00 -1.05 -0.21 0.00 0.02 0.00 0.00 54.97 53.73 2wh4 s GLU 167 Cb 0.00 -1.18 -0.08 0.00 0.10 0.00 0.00 34.13 32.97 2wh4 s GLU 167 CO 0.00 0.28 0.70 -1.25 0.02 0.00 0.00 175.26 175.00 2wh4 s PRO 168 N -1.75 4.34 0.47 0.39 0.04 -1.26 -5.09 135.00 132.14 2wh4 s PRO 168 Ca 0.03 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 61.91 2wh4 s PRO 168 Cb -0.10 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2wh4 s PRO 168 CO 0.03 0.52 0.83 0.54 0.04 0.00 0.00 177.00 178.96 2wh4 s VAL 169 N -1.29 4.81 0.00 -0.36 0.11 -1.26 -5.11 120.40 117.31 2wh4 s VAL 169 Ca 0.37 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 2wh4 s VAL 169 Cb -0.20 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 2wh4 s VAL 169 CO 0.22 -0.76 0.00 -2.11 -3.33 0.00 0.00 175.10 169.13 2wh4 n ARG 170 N -1.92 3.57 0.00 1.54 0.00 -1.26 -4.73 116.66 113.86 2wh4 n ARG 170 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2wh4 n ARG 170 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.00 2wh4 n ARG 170 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52