#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rk4 s SER 3 N 0.00 6.57 0.84 0.00 0.01 -1.26 -5.05 113.70 114.80 2rk4 s SER 3 Ca 0.00 1.18 -0.12 0.00 1.31 0.00 0.00 55.95 58.32 2rk4 s SER 3 Cb 0.00 -2.34 0.09 0.00 0.21 0.00 0.00 66.02 63.98 2rk4 s SER 3 CO 0.00 -0.38 1.10 -0.54 0.41 0.00 0.00 173.24 173.83 2rk4 s LYS 4 N -3.72 1.74 0.00 12.44 1.02 -1.26 -4.87 119.74 125.09 2rk4 s LYS 4 Ca 0.52 0.63 0.01 0.00 0.02 0.00 0.00 55.97 57.16 2rk4 s LYS 4 Cb -0.10 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 2rk4 s LYS 4 CO 0.29 -1.86 -0.05 1.03 -0.92 0.00 0.00 175.35 173.85 2rk4 s ARG 5 N -5.12 0.38 -0.03 1.68 0.52 -1.26 -1.38 118.95 113.74 2rk4 s ARG 5 Ca 0.62 -0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.68 2rk4 s ARG 5 Cb -0.15 -0.34 -0.01 0.00 0.52 0.00 0.00 34.95 34.96 2rk4 s ARG 5 CO 0.55 0.09 -0.21 0.00 0.02 0.00 0.00 175.30 175.75 2rk4 s ALA 6 N -0.22 1.79 -0.23 2.13 0.00 -0.37 -0.60 121.76 124.27 2rk4 s ALA 6 Ca 0.01 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 2rk4 s ALA 6 Cb -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 2rk4 s ALA 6 CO -0.00 0.41 0.02 -1.17 0.00 0.00 0.00 175.76 175.02 2rk4 s LEU 7 N -0.36 3.26 -0.24 0.00 2.96 -0.39 -0.77 118.68 123.15 2rk4 s LEU 7 Ca 0.04 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2rk4 s LEU 7 Cb -0.10 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.74 2rk4 s LEU 7 CO 0.00 0.01 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.32 2rk4 s VAL 8 N 1.35 3.36 -0.26 1.68 1.01 -0.23 -0.15 120.40 127.16 2rk4 s VAL 8 Ca 0.05 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 2rk4 s VAL 8 Cb -0.15 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2rk4 s VAL 8 CO 0.01 0.33 0.36 -0.63 0.00 0.00 0.00 175.10 175.18 2rk4 s ILE 9 N 1.45 5.19 -0.29 2.22 1.01 -0.91 -0.74 121.20 129.13 2rk4 s ILE 9 Ca 0.04 0.57 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 2rk4 s ILE 9 Cb -0.15 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2rk4 s ILE 9 CO -0.03 0.18 -0.01 -0.22 0.00 0.00 0.00 174.94 174.86 2rk4 s LEU 10 N 1.89 3.78 0.16 2.97 2.96 0.18 -4.41 118.68 126.21 2rk4 s LEU 10 Ca 0.15 -1.22 0.08 0.00 -0.22 0.00 0.00 54.13 52.92 2rk4 s LEU 10 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2rk4 s LEU 10 CO 0.09 -0.24 -0.05 0.00 -1.32 0.00 0.00 176.35 174.84 2rk4 s ALA 11 N 1.25 3.08 0.21 5.97 0.00 -1.26 -1.39 121.76 129.62 2rk4 s ALA 11 Ca -0.05 -1.38 -0.32 0.00 0.00 0.00 0.00 51.96 50.21 2rk4 s ALA 11 Cb -0.19 -0.89 -0.14 0.00 0.00 0.00 0.00 23.12 21.89 2rk4 s ALA 11 CO -0.02 0.51 1.30 1.17 0.00 0.00 0.00 175.76 178.72 2rk4 n LYS 12 N 0.08 1.67 -0.76 0.00 4.81 -1.26 -1.35 118.16 121.34 2rk4 n LYS 12 Ca -0.11 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 2rk4 n LYS 12 Cb 0.55 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.42 2rk4 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rk4 n GLY 13 N 2.09 0.78 3.73 3.14 0.00 -0.60 -3.03 105.19 111.30 2rk4 n GLY 13 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2rk4 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rk4 s ALA 14 N -2.96 2.37 -0.28 4.61 0.00 -0.46 -2.31 121.76 122.73 2rk4 s ALA 14 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 2rk4 s ALA 14 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 2rk4 s ALA 14 CO 0.00 -1.59 1.37 -2.00 0.00 0.00 0.00 175.76 173.54 2rk4 s GLU 15 N -3.40 3.89 0.34 0.00 -6.30 -0.15 -0.44 118.70 112.64 2rk4 s GLU 15 Ca 0.82 1.34 0.04 0.00 -2.50 0.00 0.00 54.97 54.67 2rk4 s GLU 15 Cb -0.37 -3.91 0.62 0.00 0.00 0.00 0.00 34.13 30.47 2rk4 s GLU 15 CO 0.39 -1.16 1.90 1.05 0.02 0.00 0.00 175.26 177.46 2rk4 h GLU 16 N 9.62 0.56 -0.51 4.30 9.09 -1.91 -1.87 114.58 133.86 2rk4 h GLU 16 Ca -0.28 -0.10 -0.09 0.00 0.05 0.00 0.00 59.36 58.94 2rk4 h GLU 16 Cb 1.11 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.10 2rk4 h GLU 16 CO 1.03 0.55 -0.04 0.52 0.05 0.00 0.00 179.01 181.11 2rk4 h MET 17 N 0.55 0.89 0.00 1.06 2.86 -1.99 -0.15 114.93 118.15 2rk4 h MET 17 Ca 0.12 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2rk4 h MET 17 Cb 0.26 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2rk4 h MET 17 CO 0.00 0.92 0.00 0.39 1.06 0.00 0.00 176.91 179.28 2rk4 n GLU 18 N -4.18 0.00 -0.10 1.72 1.02 -0.81 -1.47 120.64 116.83 2rk4 n GLU 18 Ca 0.02 0.12 -0.16 0.00 -0.02 0.00 0.00 57.16 57.12 2rk4 n GLU 18 Cb 0.34 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 2rk4 n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2rk4 n THR 19 N -1.50 1.49 -0.09 2.62 -1.04 -0.77 -4.40 114.28 110.60 2rk4 n THR 19 Ca 0.05 0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.95 2rk4 n THR 19 Cb 0.26 -2.17 -0.01 0.00 -1.82 0.00 0.00 70.33 66.58 2rk4 n THR 19 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2rk4 h VAL 20 N -1.00 1.28 0.06 12.58 2.07 -1.01 -2.18 116.25 128.05 2rk4 h VAL 20 Ca -0.25 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 2rk4 h VAL 20 Cb 1.05 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2rk4 h VAL 20 CO -0.15 0.54 -0.03 0.40 0.02 0.00 0.00 177.57 178.35 2rk4 h ILE 21 N 0.70 0.98 -0.72 4.57 2.04 -1.48 -0.75 117.51 122.84 2rk4 h ILE 21 Ca 0.04 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2rk4 h ILE 21 Cb 1.04 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 2rk4 h ILE 21 CO 0.10 0.03 0.34 -0.65 0.00 0.00 0.00 178.15 177.97 2rk4 h PRO 22 N -0.14 1.04 -0.25 2.37 0.11 -1.76 -0.80 132.00 132.58 2rk4 h PRO 22 Ca -0.01 -0.16 0.03 0.00 0.11 0.00 0.00 66.00 65.97 2rk4 h PRO 22 Cb 0.12 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 2rk4 h PRO 22 CO 0.01 0.83 0.05 0.28 -0.21 0.00 0.00 178.00 178.96 2rk4 h VAL 23 N 1.01 0.88 0.10 3.15 2.07 -1.18 -0.42 116.25 121.86 2rk4 h VAL 23 Ca 0.25 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2rk4 h VAL 23 Cb 0.13 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2rk4 h VAL 23 CO -0.03 0.03 -0.05 -0.78 0.02 0.00 0.00 177.57 176.76 2rk4 h ASP 24 N 0.14 -0.12 -0.87 0.57 1.82 -0.97 -1.32 116.42 115.67 2rk4 h ASP 24 Ca 0.11 -0.27 -0.03 0.00 -0.39 0.00 0.00 57.03 56.46 2rk4 h ASP 24 Cb 0.11 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.11 2rk4 h ASP 24 CO -0.15 0.21 0.43 0.58 -1.61 0.00 0.00 179.24 178.70 2rk4 h VAL 25 N -0.46 1.26 -0.58 2.25 2.07 -1.12 -0.23 116.25 119.45 2rk4 h VAL 25 Ca -0.01 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 2rk4 h VAL 25 Cb 0.38 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2rk4 h VAL 25 CO 0.02 0.31 -0.07 0.40 0.02 0.00 0.00 177.57 178.26 2rk4 h ILE 26 N 1.23 1.27 -0.55 4.57 2.04 -1.06 -2.39 117.51 122.62 2rk4 h ILE 26 Ca 0.30 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 2rk4 h ILE 26 Cb 0.10 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2rk4 h ILE 26 CO -0.04 0.44 0.18 0.03 0.00 0.00 0.00 178.15 178.76 2rk4 h ARG 27 N 0.95 0.81 0.00 2.37 3.08 -0.76 -2.02 114.38 118.81 2rk4 h ARG 27 Ca 0.15 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2rk4 h ARG 27 Cb 0.64 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2rk4 h ARG 27 CO 0.04 0.70 -0.04 0.00 -1.07 0.00 0.00 179.97 179.60 2rk4 h ARG 28 N 0.80 0.00 0.00 0.04 3.08 -0.56 -0.72 114.38 117.02 2rk4 h ARG 28 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2rk4 h ARG 28 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2rk4 h ARG 28 CO -0.01 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2rk4 n ALA 29 N -2.40 2.64 -1.04 0.04 0.00 -0.78 -4.90 120.51 114.07 2rk4 n ALA 29 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 2rk4 n ALA 29 Cb 0.13 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 2rk4 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rk4 n GLY 30 N 0.99 0.50 3.78 0.00 0.00 -0.28 -5.03 105.19 105.17 2rk4 n GLY 30 Ca 0.22 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2rk4 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rk4 s ILE 31 N -1.96 4.68 -0.38 -0.61 1.01 -1.09 -4.70 121.20 118.14 2rk4 s ILE 31 Ca 0.00 1.40 -0.25 0.00 0.00 0.00 0.00 60.65 61.80 2rk4 s ILE 31 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2rk4 s ILE 31 CO 0.00 0.50 0.88 -0.75 0.00 0.00 0.00 174.94 175.57 2rk4 s LYS 32 N -0.80 3.75 -0.16 2.79 2.20 -0.48 -4.11 119.74 122.94 2rk4 s LYS 32 Ca 0.32 0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 56.28 2rk4 s LYS 32 Cb -0.20 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 2rk4 s LYS 32 CO 0.21 -0.97 0.07 0.08 -0.36 0.00 0.00 175.35 174.38 2rk4 s VAL 33 N 3.41 4.85 -0.25 4.02 1.01 -1.26 -1.23 120.40 130.94 2rk4 s VAL 33 Ca 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 2rk4 s VAL 33 Cb -0.12 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2rk4 s VAL 33 CO 0.19 0.51 -0.01 -0.89 0.00 0.00 0.00 175.10 174.90 2rk4 s THR 34 N -0.06 3.39 -0.46 3.92 2.01 0.05 -4.97 115.64 119.52 2rk4 s THR 34 Ca 0.07 -0.73 -0.25 0.00 0.31 0.00 0.00 61.69 61.09 2rk4 s THR 34 Cb -0.12 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 69.75 2rk4 s THR 34 CO 0.01 0.24 0.88 -0.69 -0.69 0.00 0.00 174.62 174.37 2rk4 s VAL 35 N 1.43 4.53 -0.19 3.82 1.01 -1.26 -1.07 120.40 128.67 2rk4 s VAL 35 Ca 0.03 0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 2rk4 s VAL 35 Cb -0.16 -4.40 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 2rk4 s VAL 35 CO -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 175.10 174.25 2rk4 s ALA 36 N 3.61 2.97 -0.19 5.51 0.00 0.08 -0.29 121.76 133.45 2rk4 s ALA 36 Ca 0.34 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 51.06 2rk4 s ALA 36 Cb -0.11 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 2rk4 s ALA 36 CO 0.25 -0.10 0.90 0.20 0.00 0.00 0.00 175.76 177.01 2rk4 s GLY 37 N 0.91 1.99 0.20 0.00 0.00 -0.08 -0.65 107.32 109.69 2rk4 s GLY 37 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.70 2rk4 s GLY 37 CO 0.02 1.84 1.74 -2.00 0.00 0.00 0.00 173.10 174.70 2rk4 h LEU 38 N 8.67 0.15 0.00 0.66 5.85 -1.57 -0.58 115.31 128.50 2rk4 h LEU 38 Ca -0.26 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2rk4 h LEU 38 Cb 1.11 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2rk4 h LEU 38 CO 0.88 0.10 -0.15 0.00 -0.34 0.00 0.00 178.44 178.93 2rk4 n ALA 39 N -2.47 2.69 0.00 1.25 0.00 -1.26 -4.66 120.51 116.06 2rk4 n ALA 39 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2rk4 n ALA 39 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2rk4 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rk4 n GLY 40 N 1.50 0.43 0.01 0.00 0.00 -1.03 -4.91 105.19 101.20 2rk4 n GLY 40 Ca 0.07 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.49 2rk4 n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rk4 n LYS 41 N 0.00 0.16 -1.62 1.61 5.02 -1.26 -4.03 118.16 118.04 2rk4 n LYS 41 Ca 0.00 -0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 2rk4 n LYS 41 Cb 0.00 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2rk4 n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2rk4 s ASP 42 N -2.85 5.45 0.65 4.39 1.01 -1.26 -4.51 116.67 119.55 2rk4 s ASP 42 Ca 0.18 1.56 -0.18 0.00 0.71 0.00 0.00 52.55 54.83 2rk4 s ASP 42 Cb 0.19 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 2rk4 s ASP 42 CO 0.53 -1.39 1.07 -2.65 0.21 0.00 0.00 175.17 172.93 2rk4 n PRO 43 N -3.09 0.86 -4.43 8.23 -0.02 -1.26 -4.48 135.00 130.80 2rk4 n PRO 43 Ca 0.07 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 2rk4 n PRO 43 Cb 0.54 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 2rk4 n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rk4 s VAL 44 N -1.55 2.99 -0.47 -1.45 1.01 0.16 -4.94 120.40 116.15 2rk4 s VAL 44 Ca 0.78 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2rk4 s VAL 44 Cb -0.39 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2rk4 s VAL 44 CO 0.45 0.50 0.86 -1.58 0.00 0.00 0.00 175.10 175.33 2rk4 s GLN 45 N 0.83 3.43 0.92 2.72 0.74 -1.26 -1.55 119.66 125.49 2rk4 s GLN 45 Ca -0.04 -0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.17 2rk4 s GLN 45 Cb -0.15 -3.96 0.17 0.00 1.10 0.00 0.00 33.01 30.18 2rk4 s GLN 45 CO 0.00 -1.22 1.28 0.00 -0.55 0.00 0.00 175.29 174.81 2rk4 h SER 47 N -1.49 0.64 -0.62 0.00 4.64 -0.87 -0.74 113.55 115.10 2rk4 h SER 47 Ca -0.44 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.57 2rk4 h SER 47 Cb 1.25 -0.14 -0.18 0.00 -0.31 0.00 0.00 62.40 63.03 2rk4 h SER 47 CO 0.44 0.43 0.23 0.54 -0.87 0.00 0.00 176.83 177.59 2rk4 n ARG 48 N -4.47 2.22 -0.94 4.77 3.00 -1.26 -4.95 116.66 115.03 2rk4 n ARG 48 Ca 0.09 -3.10 0.00 0.00 -0.01 0.00 0.00 57.85 54.83 2rk4 n ARG 48 Cb 0.18 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 30.65 2rk4 n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2rk4 n ASP 49 N -1.01 -3.47 -4.74 0.55 8.00 -0.28 -4.99 116.55 110.60 2rk4 n ASP 49 Ca 0.43 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.52 2rk4 n ASP 49 Cb 1.30 -1.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 2rk4 n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rk4 s VAL 50 N -1.73 2.88 -0.23 2.53 1.01 -1.26 -4.72 120.40 118.87 2rk4 s VAL 50 Ca 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 2rk4 s VAL 50 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2rk4 s VAL 50 CO 0.00 0.12 0.00 -0.69 0.00 0.00 0.00 175.10 174.53 2rk4 s VAL 51 N -0.01 3.73 -0.09 2.92 1.01 -1.26 -0.77 120.40 125.93 2rk4 s VAL 51 Ca 0.58 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2rk4 s VAL 51 Cb -0.40 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 2rk4 s VAL 51 CO 0.42 0.39 -0.16 -0.63 0.00 0.00 0.00 175.10 175.11 2rk4 s ILE 52 N 1.53 2.80 -0.32 2.22 1.01 -0.59 -4.91 121.20 122.94 2rk4 s ILE 52 Ca 0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.76 2rk4 s ILE 52 Cb -0.15 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 2rk4 s ILE 52 CO -0.01 0.55 0.49 0.00 0.00 0.00 0.00 174.94 175.97 2rk4 s PRO 54 N 2.31 2.18 0.25 0.00 0.04 -1.26 -4.94 135.00 133.59 2rk4 s PRO 54 Ca 0.18 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.47 2rk4 s PRO 54 Cb -0.16 -1.88 0.31 0.00 0.04 0.00 0.00 34.50 32.81 2rk4 s PRO 54 CO 0.12 -1.71 1.62 -0.44 0.04 0.00 0.00 177.00 176.63 2rk4 h ASP 55 N -1.10 0.41 -5.00 6.66 3.32 -1.02 -3.47 116.42 116.21 2rk4 h ASP 55 Ca -0.44 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.43 2rk4 h ASP 55 Cb 1.24 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.57 2rk4 h ASP 55 CO 0.51 0.81 0.21 0.00 -1.72 0.00 0.00 179.24 179.05 2rk4 s ALA 56 N -4.10 -1.48 0.67 3.45 0.00 -1.09 -5.00 121.76 114.21 2rk4 s ALA 56 Ca -0.06 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 2rk4 s ALA 56 Cb 0.13 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.12 2rk4 s ALA 56 CO 0.80 -0.85 1.10 -1.54 0.00 0.00 0.00 175.76 175.26 2rk4 s SER 57 N -2.80 5.14 0.27 0.00 1.04 -1.26 -0.90 113.70 115.18 2rk4 s SER 57 Ca 0.04 1.93 -0.03 0.00 0.48 0.00 0.00 55.95 58.37 2rk4 s SER 57 Cb -0.03 -2.54 0.35 0.00 0.10 0.00 0.00 66.02 63.91 2rk4 s SER 57 CO -0.07 -1.61 1.89 0.25 0.98 0.00 0.00 173.24 174.68 2rk4 h LEU 58 N -0.09 0.96 -0.60 2.42 5.85 -1.36 0.38 115.31 122.86 2rk4 h LEU 58 Ca -0.46 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.23 2rk4 h LEU 58 Cb 1.24 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 2rk4 h LEU 58 CO 0.54 0.79 0.31 -0.08 -0.34 0.00 0.00 178.44 179.66 2rk4 h GLU 59 N 1.07 0.56 -0.13 1.25 4.81 -1.89 -0.61 114.58 119.64 2rk4 h GLU 59 Ca 0.27 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 59.25 2rk4 h GLU 59 Cb 0.06 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.32 2rk4 h GLU 59 CO -0.04 0.37 -0.78 -0.44 -0.73 0.00 0.00 179.01 177.39 2rk4 h ASP 60 N 0.58 0.84 -0.42 1.04 3.32 -1.85 -3.22 116.42 116.71 2rk4 h ASP 60 Ca 0.27 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2rk4 h ASP 60 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2rk4 h ASP 60 CO -0.19 1.35 0.22 0.00 -1.72 0.00 0.00 179.24 178.90 2rk4 h ALA 61 N 0.64 1.54 0.00 3.45 0.00 -0.48 -1.72 119.26 122.68 2rk4 h ALA 61 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2rk4 h ALA 61 Cb 1.40 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2rk4 h ALA 61 CO 0.16 0.37 -0.22 -0.22 0.00 0.00 0.00 179.25 179.34 2rk4 h LYS 62 N 0.63 0.00 0.00 0.00 3.64 -1.13 -1.59 116.57 118.12 2rk4 h LYS 62 Ca 0.16 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2rk4 h LYS 62 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2rk4 h LYS 62 CO -0.02 0.22 -0.01 0.87 -2.27 0.00 0.00 179.45 178.24 2rk4 h LYS 63 N 0.00 0.00 -0.61 1.90 1.57 -1.37 -2.34 116.57 115.73 2rk4 h LYS 63 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rk4 h LYS 63 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2rk4 h LYS 63 CO 0.03 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 2rk4 n GLU 64 N -3.11 2.68 -0.09 3.15 -0.58 -0.61 -4.97 120.64 117.12 2rk4 n GLU 64 Ca 0.00 -2.48 0.00 0.00 -0.42 0.00 0.00 57.16 54.26 2rk4 n GLU 64 Cb 0.28 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 2rk4 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rk4 n GLY 65 N 1.43 -0.35 3.89 0.62 0.00 -0.88 -4.90 105.19 105.00 2rk4 n GLY 65 Ca 0.21 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2rk4 n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rk4 s PRO 66 N -0.87 2.44 0.08 1.61 0.04 -1.26 -5.11 135.00 131.93 2rk4 s PRO 66 Ca 0.00 0.25 0.07 0.00 0.04 0.00 0.00 61.00 61.36 2rk4 s PRO 66 Cb 0.00 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2rk4 s PRO 66 CO 0.00 -1.27 -0.13 0.71 0.04 0.00 0.00 177.00 176.34 2rk4 s TYR 67 N -3.43 2.66 0.20 0.56 1.51 -1.26 -4.97 117.35 112.63 2rk4 s TYR 67 Ca 0.60 -0.19 0.22 0.00 -1.01 0.00 0.00 57.07 56.69 2rk4 s TYR 67 Cb -0.11 -1.43 0.93 0.00 -0.11 0.00 0.00 41.96 41.23 2rk4 s TYR 67 CO 0.50 0.37 1.84 -0.44 -1.11 0.00 0.00 175.55 176.71 2rk4 h ASP 68 N 3.93 0.00 -4.24 2.29 3.32 -1.22 -3.44 116.42 117.06 2rk4 h ASP 68 Ca -0.49 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.42 2rk4 h ASP 68 Cb 1.16 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.48 2rk4 h ASP 68 CO 0.50 0.26 -0.33 0.54 -1.72 0.00 0.00 179.24 178.48 2rk4 s VAL 69 N -3.76 0.02 -0.20 -1.35 0.11 -1.09 -3.32 120.40 110.81 2rk4 s VAL 69 Ca -0.00 -0.18 -0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2rk4 s VAL 69 Cb 0.11 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2rk4 s VAL 69 CO 0.65 -0.10 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.63 2rk4 s VAL 70 N -0.36 3.91 -0.16 2.04 1.01 -0.90 -1.26 120.40 124.69 2rk4 s VAL 70 Ca -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2rk4 s VAL 70 Cb -0.03 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2rk4 s VAL 70 CO 0.02 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 2rk4 s VAL 71 N 1.03 3.39 -0.37 2.92 1.01 0.79 -0.90 120.40 128.27 2rk4 s VAL 71 Ca 0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2rk4 s VAL 71 Cb -0.14 -2.47 0.08 0.00 0.00 0.00 0.00 36.38 33.84 2rk4 s VAL 71 CO 0.02 0.49 0.13 -0.76 0.00 0.00 0.00 175.10 174.98 2rk4 s LEU 72 N 0.59 4.67 1.08 3.92 1.43 0.12 -2.14 118.68 128.35 2rk4 s LEU 72 Ca -0.05 -1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 51.34 2rk4 s LEU 72 Cb -0.15 -1.82 0.24 0.00 0.03 0.00 0.00 46.19 44.49 2rk4 s LEU 72 CO 0.03 -0.42 1.06 -2.84 0.23 0.00 0.00 176.35 174.41 2rk4 s PRO 73 N 1.25 -0.29 0.00 1.29 0.02 -1.26 -1.99 135.00 134.02 2rk4 s PRO 73 Ca 0.02 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.02 2rk4 s PRO 73 Cb -0.21 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2rk4 s PRO 73 CO -0.01 -3.34 0.00 0.41 -0.33 0.00 0.00 177.00 173.72 2rk4 n GLY 74 N 0.43 1.80 0.16 0.52 0.00 -0.98 -3.97 105.19 103.15 2rk4 n GLY 74 Ca 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2rk4 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rk4 n GLY 75 N 5.00 -1.21 0.19 -0.02 0.00 -1.26 -0.97 105.19 106.92 2rk4 n GLY 75 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 2rk4 n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2rk4 h ASN 76 N 0.00 0.24 0.15 1.61 2.35 -1.96 0.21 115.58 118.18 2rk4 h ASN 76 Ca 0.00 0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.58 2rk4 h ASN 76 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 2rk4 h ASN 76 CO 0.00 0.17 -0.81 -0.07 -1.65 0.00 0.00 177.43 175.07 2rk4 h LEU 77 N 0.38 0.64 -0.56 1.61 4.07 -1.88 -0.78 115.31 118.79 2rk4 h LEU 77 Ca 0.20 -0.45 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 2rk4 h LEU 77 Cb 0.16 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 2rk4 h LEU 77 CO -0.18 1.22 0.20 1.23 -1.08 0.00 0.00 178.44 179.83 2rk4 h GLY 78 N 1.02 0.92 1.09 0.83 0.00 -1.15 -1.55 103.07 104.24 2rk4 h GLY 78 Ca -0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 2rk4 h GLY 78 CO 0.15 0.49 0.35 0.00 0.00 0.00 0.00 176.54 177.53 2rk4 h ALA 79 N 1.05 1.11 -0.64 3.60 0.00 -0.82 -0.45 119.26 123.12 2rk4 h ALA 79 Ca 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2rk4 h ALA 79 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2rk4 h ALA 79 CO -0.01 0.65 0.24 0.37 0.00 0.00 0.00 179.25 180.50 2rk4 h GLN 80 N 1.14 0.97 -0.73 0.00 5.75 -0.87 0.40 115.11 121.77 2rk4 h GLN 80 Ca 0.27 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 2rk4 h GLN 80 Cb 0.17 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 2rk4 h GLN 80 CO -0.03 0.83 0.31 -0.91 -2.65 0.00 0.00 178.83 176.38 2rk4 h ASN 81 N 0.90 0.99 -0.78 -0.69 2.35 -0.80 -1.61 115.58 115.95 2rk4 h ASN 81 Ca 0.21 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2rk4 h ASN 81 Cb 0.23 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 2rk4 h ASN 81 CO -0.01 0.88 0.43 -0.07 -1.65 0.00 0.00 177.43 177.01 2rk4 h LEU 82 N 1.04 0.98 -1.40 1.61 3.38 -0.77 -2.82 115.31 117.34 2rk4 h LEU 82 Ca 0.25 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2rk4 h LEU 82 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2rk4 h LEU 82 CO -0.02 0.79 -0.29 0.28 0.09 0.00 0.00 178.44 179.29 2rk4 h SER 83 N 1.11 0.00 0.36 -0.43 0.02 -0.40 -2.86 113.55 111.35 2rk4 h SER 83 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2rk4 h SER 83 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2rk4 h SER 83 CO -0.05 0.29 -0.43 -0.62 -1.14 0.00 0.00 176.83 174.88 2rk4 n GLU 84 N -3.85 0.34 -3.08 3.45 1.02 -0.65 -4.79 120.64 113.08 2rk4 n GLU 84 Ca -0.02 -0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.51 2rk4 n GLU 84 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 2rk4 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2rk4 s SER 85 N -2.80 6.62 0.42 1.62 0.15 -1.08 -4.94 113.70 113.69 2rk4 s SER 85 Ca 0.16 0.76 0.11 0.00 0.70 0.00 0.00 55.95 57.68 2rk4 s SER 85 Cb 0.18 -2.35 0.90 0.00 -1.71 0.00 0.00 66.02 63.04 2rk4 s SER 85 CO 0.64 -0.39 1.97 0.00 1.20 0.00 0.00 173.24 176.66 2rk4 h ALA 86 N 7.85 1.63 -0.33 5.45 0.00 -1.91 -1.52 119.26 130.44 2rk4 h ALA 86 Ca -0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2rk4 h ALA 86 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2rk4 h ALA 86 CO 0.79 0.27 0.05 0.00 0.00 0.00 0.00 179.25 180.36 2rk4 h ALA 87 N 1.74 0.44 -0.72 0.00 0.00 -1.95 -1.70 119.26 117.06 2rk4 h ALA 87 Ca 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2rk4 h ALA 87 Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2rk4 h ALA 87 CO 0.01 0.14 0.38 0.28 0.00 0.00 0.00 179.25 180.06 2rk4 h VAL 88 N 0.37 1.23 -0.49 0.00 2.07 -1.79 -1.66 116.25 115.98 2rk4 h VAL 88 Ca 0.10 -0.58 0.09 0.00 0.82 0.00 0.00 66.70 67.12 2rk4 h VAL 88 Cb 0.36 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 2rk4 h VAL 88 CO 0.01 0.25 0.07 0.50 0.02 0.00 0.00 177.57 178.42 2rk4 h LYS 89 N 1.00 0.19 -0.45 1.57 3.64 -0.94 -0.46 116.57 121.11 2rk4 h LYS 89 Ca 0.25 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 2rk4 h LYS 89 Cb 0.06 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2rk4 h LYS 89 CO -0.04 0.13 0.05 1.49 -2.27 0.00 0.00 179.45 178.81 2rk4 h GLU 90 N 0.20 0.76 -0.68 1.90 4.81 -1.01 0.30 114.58 120.86 2rk4 h GLU 90 Ca 0.25 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2rk4 h GLU 90 Cb 0.34 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 2rk4 h GLU 90 CO -0.35 0.79 0.29 0.82 -0.73 0.00 0.00 179.01 179.84 2rk4 h ILE 91 N 0.62 1.24 -0.30 2.32 2.04 -0.84 -0.95 117.51 121.63 2rk4 h ILE 91 Ca 0.13 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 65.13 2rk4 h ILE 91 Cb 0.42 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2rk4 h ILE 91 CO 0.01 0.29 -0.43 -0.07 0.00 0.00 0.00 178.15 177.95 2rk4 h LEU 92 N 0.95 0.91 -0.57 1.44 3.38 -0.84 -1.09 115.31 119.48 2rk4 h LEU 92 Ca 0.23 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2rk4 h LEU 92 Cb 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2rk4 h LEU 92 CO -0.02 1.23 0.38 0.11 0.09 0.00 0.00 178.44 180.23 2rk4 h LYS 93 N 0.60 0.75 -0.63 1.13 1.57 -0.80 -0.28 116.57 118.91 2rk4 h LYS 93 Ca 0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2rk4 h LYS 93 Cb 1.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 2rk4 h LYS 93 CO 0.10 0.50 0.27 0.93 -0.57 0.00 0.00 179.45 180.68 2rk4 h GLU 94 N 0.77 0.93 -0.47 3.15 5.08 -1.06 -0.04 114.58 122.93 2rk4 h GLU 94 Ca 0.21 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2rk4 h GLU 94 Cb -0.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2rk4 h GLU 94 CO -0.05 0.77 0.10 0.37 -1.00 0.00 0.00 179.01 179.21 2rk4 h GLN 95 N 0.87 0.76 -0.49 2.33 5.75 -0.86 -1.59 115.11 121.89 2rk4 h GLN 95 Ca 0.21 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2rk4 h GLN 95 Cb 0.17 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2rk4 h GLN 95 CO -0.02 0.75 0.30 1.49 -2.65 0.00 0.00 178.83 178.70 2rk4 h GLU 96 N 0.63 0.60 -0.29 1.69 4.81 -0.89 -0.76 114.58 120.37 2rk4 h GLU 96 Ca 0.15 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2rk4 h GLU 96 Cb 0.34 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2rk4 h GLU 96 CO 0.00 0.39 0.03 -0.91 -0.73 0.00 0.00 179.01 177.80 2rk4 h ASN 97 N 0.61 0.40 -0.35 1.04 2.35 -0.60 -1.60 115.58 117.43 2rk4 h ASN 97 Ca 0.19 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2rk4 h ASN 97 Cb -0.02 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2rk4 h ASN 97 CO -0.07 0.44 0.00 -2.11 -1.65 0.00 0.00 177.43 174.04 2rk4 n ARG 98 N -4.34 2.05 -3.41 0.81 1.85 -0.63 -4.93 116.66 108.05 2rk4 n ARG 98 Ca 0.01 -1.61 -0.20 0.00 -1.00 0.00 0.00 57.85 55.06 2rk4 n ARG 98 Cb 0.20 -1.41 0.07 0.00 -1.05 0.00 0.00 32.46 30.28 2rk4 n ARG 98 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2rk4 n LYS 99 N 0.81 -6.73 -3.97 2.89 5.02 -0.60 -5.02 118.16 110.56 2rk4 n LYS 99 Ca 0.17 0.73 -0.27 0.00 -2.02 0.00 0.00 58.31 56.91 2rk4 n LYS 99 Cb 0.42 -5.46 -0.04 0.00 -0.02 0.00 0.00 35.03 29.93 2rk4 n LYS 99 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2rk4 s GLY 100 N -3.48 1.83 0.32 0.72 0.00 -0.33 -5.04 107.32 101.34 2rk4 s GLY 100 Ca 0.40 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.82 2rk4 s GLY 100 CO 0.64 -1.01 1.26 -2.27 0.00 0.00 0.00 173.10 171.71 2rk4 s LEU 101 N -3.01 4.44 -0.07 0.66 2.96 -1.21 -4.50 118.68 117.95 2rk4 s LEU 101 Ca 0.34 2.59 0.03 0.00 -0.22 0.00 0.00 54.13 56.88 2rk4 s LEU 101 Cb -0.11 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.92 2rk4 s LEU 101 CO 0.27 -0.46 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.04 2rk4 s ILE 102 N -1.15 1.52 -0.05 6.68 1.01 -0.55 -2.11 121.20 126.55 2rk4 s ILE 102 Ca 0.48 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.45 2rk4 s ILE 102 Cb -0.38 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 40.76 2rk4 s ILE 102 CO 0.50 0.44 -0.14 0.00 0.00 0.00 0.00 174.94 175.74 2rk4 s ALA 103 N 0.39 1.34 -0.04 9.38 0.00 -0.08 -1.26 121.76 131.49 2rk4 s ALA 103 Ca -0.13 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 2rk4 s ALA 103 Cb -0.15 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2rk4 s ALA 103 CO 0.05 0.20 0.15 0.00 0.00 0.00 0.00 175.76 176.16 2rk4 s ALA 104 N 0.28 -0.37 0.02 0.00 0.00 -0.18 -0.71 121.76 120.80 2rk4 s ALA 104 Ca -0.08 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.21 2rk4 s ALA 104 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2rk4 s ALA 104 CO 0.03 -0.11 -0.17 -1.50 0.00 0.00 0.00 175.76 174.00 2rk4 s ILE 105 N -0.34 1.36 0.00 0.00 2.07 -0.84 -2.07 121.20 121.38 2rk4 s ILE 105 Ca -0.04 -0.92 0.00 0.00 -1.41 0.00 0.00 60.65 58.28 2rk4 s ILE 105 Cb -0.03 -1.17 0.00 0.00 0.13 0.00 0.00 42.46 41.39 2rk4 s ILE 105 CO 0.01 0.24 0.00 0.00 -1.91 0.00 0.00 174.94 173.27 2rk4 h ALA 107 N -0.38 0.71 -0.99 0.00 0.00 -1.87 -1.64 119.26 115.09 2rk4 h ALA 107 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.13 2rk4 h ALA 107 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 2rk4 h ALA 107 CO 0.00 0.00 0.58 0.78 0.00 0.00 0.00 179.25 180.61 2rk4 h GLY 108 N 4.39 1.84 2.00 0.00 0.00 -1.01 -0.52 103.07 109.77 2rk4 h GLY 108 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2rk4 h GLY 108 CO 0.00 -0.18 -0.01 -2.55 0.00 0.00 0.00 176.54 173.80 2rk4 h PRO 109 N 0.63 0.00 0.00 4.80 0.11 -1.76 -1.40 132.00 134.38 2rk4 h PRO 109 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 2rk4 h PRO 109 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2rk4 h PRO 109 CO -0.45 0.01 0.00 1.79 -0.21 0.00 0.00 178.00 179.15 2rk4 h THR 110 N 0.00 0.00 0.00 -1.15 1.35 -1.40 -0.37 112.91 111.34 2rk4 h THR 110 Ca -0.00 -0.23 -0.11 0.00 -0.55 0.00 0.00 66.41 65.52 2rk4 h THR 110 Cb 0.09 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.58 2rk4 h THR 110 CO 0.00 0.00 -0.52 0.00 -0.25 0.00 0.00 175.52 174.75 2rk4 h ALA 111 N 2.06 1.03 -0.45 6.62 0.00 -1.41 -2.01 119.26 125.11 2rk4 h ALA 111 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2rk4 h ALA 111 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2rk4 h ALA 111 CO 0.00 0.65 0.20 -0.07 0.00 0.00 0.00 179.25 180.03 2rk4 h LEU 112 N 0.00 0.60 -0.24 0.00 3.38 -1.19 -2.12 115.31 115.74 2rk4 h LEU 112 Ca -0.01 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2rk4 h LEU 112 Cb 0.98 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2rk4 h LEU 112 CO 0.07 0.58 0.11 0.25 0.09 0.00 0.00 178.44 179.53 2rk4 h LEU 113 N 0.58 0.15 -1.41 1.67 5.85 -1.36 -0.07 115.31 120.71 2rk4 h LEU 113 Ca 0.15 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2rk4 h LEU 113 Cb 0.15 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2rk4 h LEU 113 CO -0.02 0.12 0.46 0.00 -0.34 0.00 0.00 178.44 178.66 2rk4 h ALA 114 N 1.13 1.73 -0.56 1.25 0.00 -1.17 -2.02 119.26 119.61 2rk4 h ALA 114 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rk4 h ALA 114 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2rk4 h ALA 114 CO -0.08 0.17 0.00 0.72 0.00 0.00 0.00 179.25 180.06 2rk4 n HIS 115 N -4.48 0.74 -3.55 0.00 8.25 -0.82 -4.97 115.22 110.40 2rk4 n HIS 115 Ca 0.10 -0.38 -0.21 0.00 -0.26 0.00 0.00 57.72 56.97 2rk4 n HIS 115 Cb 0.22 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.41 2rk4 n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2rk4 n GLU 116 N 1.57 -7.27 -4.00 -0.41 1.02 -0.45 -4.94 120.64 106.16 2rk4 n GLU 116 Ca 0.22 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 57.84 2rk4 n GLU 116 Cb 0.62 -5.85 -0.09 0.00 -0.02 0.00 0.00 31.44 26.10 2rk4 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2rk4 s ILE 117 N -3.35 4.83 -0.71 -3.67 -1.09 -0.17 -4.58 121.20 112.46 2rk4 s ILE 117 Ca 0.34 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 2rk4 s ILE 117 Cb -0.15 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2rk4 s ILE 117 CO 0.74 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 175.53 2rk4 n GLY 118 N 3.45 0.78 3.71 6.18 0.00 -1.26 -4.61 105.19 113.43 2rk4 n GLY 118 Ca -0.17 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2rk4 n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rk4 n PHE 119 N -2.99 2.10 -0.18 1.61 0.99 -1.26 -1.97 117.46 115.76 2rk4 n PHE 119 Ca -0.07 0.48 0.00 0.00 -0.00 0.00 0.00 57.45 57.86 2rk4 n PHE 119 Cb 0.28 -2.36 0.00 0.00 -1.00 0.00 0.00 39.48 36.40 2rk4 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2rk4 n GLY 120 N 0.82 1.02 3.84 1.37 0.00 0.42 -5.02 105.19 107.64 2rk4 n GLY 120 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2rk4 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rk4 s SER 121 N -2.90 6.72 0.08 1.61 0.01 -0.83 -4.76 113.70 113.62 2rk4 s SER 121 Ca 0.00 1.56 -0.30 0.00 1.31 0.00 0.00 55.95 58.52 2rk4 s SER 121 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 2rk4 s SER 121 CO 0.00 -0.49 1.06 -0.75 0.41 0.00 0.00 173.24 173.47 2rk4 s LYS 122 N -3.74 4.56 0.04 12.44 2.20 -1.26 -1.55 119.74 132.43 2rk4 s LYS 122 Ca 0.59 1.59 -0.04 0.00 -0.36 0.00 0.00 55.97 57.75 2rk4 s LYS 122 Cb -0.10 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2rk4 s LYS 122 CO 0.25 -0.02 0.06 0.14 -0.36 0.00 0.00 175.35 175.42 2rk4 s VAL 123 N 0.53 0.15 0.35 4.02 -7.23 -0.02 -4.39 120.40 113.82 2rk4 s VAL 123 Ca 0.52 -1.26 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2rk4 s VAL 123 Cb -0.26 -1.03 -0.07 0.00 0.56 0.00 0.00 36.38 35.59 2rk4 s VAL 123 CO 0.30 -0.70 -0.03 0.28 -0.31 0.00 0.00 175.10 174.65 2rk4 s THR 124 N -2.93 1.85 0.35 5.32 -1.32 -1.26 -0.36 115.64 117.29 2rk4 s THR 124 Ca -0.02 -2.08 -0.07 0.00 -1.21 0.00 0.00 61.69 58.31 2rk4 s THR 124 Cb 0.01 -2.75 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 2rk4 s THR 124 CO -0.06 -0.12 0.57 0.42 -2.21 0.00 0.00 174.62 173.21 2rk4 s THR 125 N -2.85 0.00 0.56 5.08 -4.23 -1.26 -4.21 115.64 108.74 2rk4 s THR 125 Ca 0.33 -1.41 -0.21 0.00 -1.18 0.00 0.00 61.69 59.22 2rk4 s THR 125 Cb 0.06 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 2rk4 s THR 125 CO 0.16 0.00 1.36 -2.28 -0.54 0.00 0.00 174.62 173.32 2rk4 s HIS 126 N -2.91 2.23 0.35 3.99 2.46 -0.62 -4.52 115.29 116.27 2rk4 s HIS 126 Ca 0.26 1.37 0.11 0.00 0.47 0.00 0.00 55.06 57.27 2rk4 s HIS 126 Cb -0.02 -3.82 0.90 0.00 -0.13 0.00 0.00 32.58 29.51 2rk4 s HIS 126 CO 0.17 -2.99 1.79 -1.35 -2.47 0.00 0.00 174.74 169.89 2rk4 h PRO 127 N 1.33 0.58 0.00 2.88 0.11 -1.93 -0.05 132.00 134.93 2rk4 h PRO 127 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2rk4 h PRO 127 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2rk4 h PRO 127 CO 0.57 0.39 0.00 1.28 -0.21 0.00 0.00 178.00 180.02 2rk4 n LEU 128 N -4.68 0.26 -0.71 2.35 4.77 -1.26 -2.68 117.00 115.05 2rk4 n LEU 128 Ca 0.23 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 2rk4 n LEU 128 Cb 0.67 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 2rk4 n LEU 128 CO 0.24 -0.17 0.50 0.00 -1.33 0.00 0.00 177.39 176.63 2rk4 n ALA 129 N -1.60 2.98 -0.02 -1.18 0.00 -0.05 -4.60 120.51 116.05 2rk4 n ALA 129 Ca 0.05 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 2rk4 n ALA 129 Cb 0.30 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 2rk4 n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2rk4 h LYS 130 N 3.47 0.03 -0.80 0.00 3.64 -1.28 -1.74 116.57 119.89 2rk4 h LYS 130 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2rk4 h LYS 130 Cb 0.85 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 2rk4 h LYS 130 CO 0.00 0.02 0.39 -0.44 -2.27 0.00 0.00 179.45 177.15 2rk4 h ASP 131 N 0.03 1.05 -0.07 4.20 3.32 -1.81 -0.05 116.42 123.09 2rk4 h ASP 131 Ca 0.07 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2rk4 h ASP 131 Cb 0.09 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2rk4 h ASP 131 CO -0.12 0.89 0.03 0.50 -1.72 0.00 0.00 179.24 178.81 2rk4 h LYS 132 N 1.14 0.10 -0.58 3.56 3.64 -1.83 -2.70 116.57 119.89 2rk4 h LYS 132 Ca 0.28 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2rk4 h LYS 132 Cb 0.12 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2rk4 h LYS 132 CO -0.04 0.22 0.39 1.98 -2.27 0.00 0.00 179.45 179.73 2rk4 h MET 133 N -0.04 0.70 -0.15 1.90 4.05 -0.87 -2.84 114.93 117.67 2rk4 h MET 133 Ca 0.02 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2rk4 h MET 133 Cb 0.15 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2rk4 h MET 133 CO -0.00 0.46 0.00 -1.33 0.23 0.00 0.00 176.91 176.27 2rk4 n MET 134 N -4.46 1.79 -1.91 0.39 2.81 -0.07 -4.75 117.12 110.92 2rk4 n MET 134 Ca 0.06 -1.19 -0.43 0.00 -1.81 0.00 0.00 57.70 54.34 2rk4 n MET 134 Cb 0.10 -1.42 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 2rk4 n MET 134 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2rk4 s ASN 135 N -1.65 6.29 0.00 7.83 3.84 -1.04 -0.82 114.94 129.39 2rk4 s ASN 135 Ca 0.34 2.02 0.00 0.00 0.21 0.00 0.00 52.86 55.43 2rk4 s ASN 135 Cb 0.18 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 2rk4 s ASN 135 CO 0.28 -1.27 0.00 0.61 -2.79 0.00 0.00 177.10 173.93 2rk4 n GLY 136 N 4.72 0.70 2.55 1.21 0.00 -1.26 -4.51 105.19 108.61 2rk4 n GLY 136 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 2rk4 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rk4 n GLY 137 N -2.00 -0.22 0.03 -0.02 0.00 -0.00 -4.91 105.19 98.06 2rk4 n GLY 137 Ca 0.00 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2rk4 n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rk4 n HIS 138 N -4.13 0.23 -4.34 1.61 8.25 -1.26 -4.83 115.22 110.76 2rk4 n HIS 138 Ca -0.12 0.07 -0.17 0.00 -0.26 0.00 0.00 57.72 57.24 2rk4 n HIS 138 Cb 0.60 -0.53 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 2rk4 n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2rk4 s TYR 139 N -3.04 1.59 -0.19 4.41 1.51 -1.26 -0.44 117.35 119.92 2rk4 s TYR 139 Ca 0.12 -0.88 -0.06 0.00 -1.01 0.00 0.00 57.07 55.24 2rk4 s TYR 139 Cb 0.17 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2rk4 s TYR 139 CO 0.61 0.01 0.02 0.99 -1.11 0.00 0.00 175.55 176.07 2rk4 s THR 140 N -3.36 4.21 0.30 -0.71 2.01 -0.60 -4.97 115.64 112.53 2rk4 s THR 140 Ca 0.28 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.86 2rk4 s THR 140 Cb 0.05 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.57 2rk4 s THR 140 CO 0.08 0.44 0.79 -0.47 -0.69 0.00 0.00 174.62 174.77 2rk4 s TYR 141 N 0.77 3.50 0.03 4.92 5.04 -1.26 -0.84 117.35 129.52 2rk4 s TYR 141 Ca 0.01 1.41 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 2rk4 s TYR 141 Cb -0.14 -2.66 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 2rk4 s TYR 141 CO 0.02 0.16 -0.12 0.45 -1.34 0.00 0.00 175.55 174.72 2rk4 s SER 142 N -1.95 1.41 -0.01 4.32 0.15 0.51 -4.85 113.70 113.28 2rk4 s SER 142 Ca 0.51 -0.43 0.23 0.00 0.70 0.00 0.00 55.95 56.95 2rk4 s SER 142 Cb -0.13 -0.08 0.66 0.00 -1.71 0.00 0.00 66.02 64.76 2rk4 s SER 142 CO 0.19 -0.00 1.55 -0.62 1.20 0.00 0.00 173.24 175.56 2rk4 n GLU 143 N 1.95 2.79 -1.98 5.44 1.02 -1.26 -4.29 120.64 124.31 2rk4 n GLU 143 Ca -0.18 -2.70 -0.37 0.00 -0.02 0.00 0.00 57.16 53.89 2rk4 n GLU 143 Cb 0.55 -1.60 0.03 0.00 -0.02 0.00 0.00 31.44 30.40 2rk4 n GLU 143 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2rk4 s ASN 144 N -0.99 5.47 0.33 1.62 0.01 -1.26 -4.90 114.94 115.21 2rk4 s ASN 144 Ca 0.50 2.53 0.08 0.00 -0.71 0.00 0.00 52.86 55.26 2rk4 s ASN 144 Cb 0.26 -2.62 0.56 0.00 0.41 0.00 0.00 41.25 39.87 2rk4 s ASN 144 CO 0.33 -1.41 1.77 0.03 -1.51 0.00 0.00 177.10 176.31 2rk4 h ARG 145 N 1.44 0.22 -4.84 -0.60 3.08 -1.94 -3.40 114.38 108.34 2rk4 h ARG 145 Ca -0.50 -0.09 -0.48 0.00 0.07 0.00 0.00 59.98 58.98 2rk4 h ARG 145 Cb 1.29 -0.01 -0.31 0.00 0.08 0.00 0.00 29.97 31.01 2rk4 h ARG 145 CO 0.57 0.53 -0.81 0.08 -1.07 0.00 0.00 179.97 179.28 2rk4 s VAL 146 N -4.30 1.03 -0.03 2.04 1.01 -1.26 -3.06 120.40 115.83 2rk4 s VAL 146 Ca -0.05 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.51 2rk4 s VAL 146 Cb 0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 2rk4 s VAL 146 CO 0.76 0.31 -0.22 -0.70 0.00 0.00 0.00 175.10 175.25 2rk4 s GLU 147 N 0.17 1.93 -0.05 2.72 2.56 0.00 -5.00 118.70 121.04 2rk4 s GLU 147 Ca -0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 54.97 54.13 2rk4 s GLU 147 Cb -0.10 -1.79 0.03 0.00 2.00 0.00 0.00 34.13 34.27 2rk4 s GLU 147 CO 0.01 0.42 0.03 0.21 -0.56 0.00 0.00 175.26 175.38 2rk4 s LYS 148 N -0.37 0.24 -0.32 4.30 2.20 -1.26 -0.51 119.74 124.02 2rk4 s LYS 148 Ca 0.04 0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.91 2rk4 s LYS 148 Cb -0.10 -0.69 0.10 0.00 -1.51 0.00 0.00 37.83 35.63 2rk4 s LYS 148 CO 0.00 -0.30 0.08 0.34 -0.36 0.00 0.00 175.35 175.11 2rk4 s ASP 149 N 1.98 4.35 0.87 1.43 2.15 -0.20 -5.01 116.67 122.24 2rk4 s ASP 149 Ca 0.04 -1.86 0.00 0.00 0.43 0.00 0.00 52.55 51.15 2rk4 s ASP 149 Cb -0.12 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.31 2rk4 s ASP 149 CO -0.04 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2rk4 n GLY 150 N 4.59 2.46 0.88 2.66 0.00 -1.26 -1.98 105.19 112.54 2rk4 n GLY 150 Ca 0.01 0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.46 2rk4 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rk4 n LEU 151 N 0.00 2.53 -4.14 0.99 4.77 -1.26 -4.71 117.00 115.18 2rk4 n LEU 151 Ca 0.00 -1.27 -0.33 0.00 -0.03 0.00 0.00 56.01 54.38 2rk4 n LEU 151 Cb 0.00 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 2rk4 n LEU 151 CO 0.00 0.55 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.51 2rk4 s ILE 152 N -1.54 2.40 -0.17 -0.08 -1.09 -0.84 -1.48 121.20 118.40 2rk4 s ILE 152 Ca 0.29 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 2rk4 s ILE 152 Cb 0.16 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.87 2rk4 s ILE 152 CO 0.17 0.27 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.73 2rk4 s LEU 153 N 1.25 2.14 0.24 2.97 0.20 -0.38 -1.03 118.68 124.06 2rk4 s LEU 153 Ca -0.00 -0.64 0.05 0.00 0.69 0.00 0.00 54.13 54.23 2rk4 s LEU 153 Cb -0.16 -1.48 -0.05 0.00 -0.43 0.00 0.00 46.19 44.07 2rk4 s LEU 153 CO -0.08 0.02 -0.03 0.42 -0.29 0.00 0.00 176.35 176.39 2rk4 s THR 154 N 1.19 1.24 0.31 3.68 -4.23 0.33 -1.02 115.64 117.14 2rk4 s THR 154 Ca 0.02 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.30 2rk4 s THR 154 Cb -0.14 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.41 2rk4 s THR 154 CO -0.10 -0.37 0.67 -0.55 -0.54 0.00 0.00 174.62 173.72 2rk4 s SER 155 N -3.33 -0.06 -0.23 3.99 0.15 -0.88 -0.82 113.70 112.53 2rk4 s SER 155 Ca 0.27 -0.89 0.07 0.00 0.70 0.00 0.00 55.95 56.10 2rk4 s SER 155 Cb 0.05 0.73 -0.20 0.00 -1.71 0.00 0.00 66.02 64.88 2rk4 s SER 155 CO 0.09 -1.39 -0.08 0.54 1.20 0.00 0.00 173.24 173.60 2rk4 n ARG 156 N -0.47 0.67 -3.40 5.44 1.74 -1.17 -0.88 116.66 118.59 2rk4 n ARG 156 Ca -0.04 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2rk4 n ARG 156 Cb 0.60 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.52 2rk4 n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rk4 n GLY 157 N 2.06 0.52 0.31 -0.13 0.00 -1.26 -2.30 105.19 104.38 2rk4 n GLY 157 Ca -0.40 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 44.65 2rk4 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rk4 h PRO 158 N 0.00 0.62 0.00 1.61 0.11 -1.99 -0.78 132.00 131.58 2rk4 h PRO 158 Ca -0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2rk4 h PRO 158 Cb 0.90 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2rk4 h PRO 158 CO 0.25 0.41 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 2rk4 n GLY 159 N -1.33 -0.89 0.71 -0.55 0.00 -1.26 -1.79 105.19 100.08 2rk4 n GLY 159 Ca 0.17 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.15 2rk4 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rk4 n THR 160 N -1.21 0.62 -0.13 2.61 -2.24 -0.31 -4.72 114.28 108.90 2rk4 n THR 160 Ca 0.12 -0.81 -0.05 0.00 -2.27 0.00 0.00 64.05 61.04 2rk4 n THR 160 Cb 0.14 0.80 0.14 0.00 -2.10 0.00 0.00 70.33 69.31 2rk4 n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2rk4 h SER 161 N 2.60 0.81 -0.36 3.42 0.02 -1.18 0.13 113.55 118.99 2rk4 h SER 161 Ca 0.00 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 2rk4 h SER 161 Cb 0.71 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2rk4 h SER 161 CO 0.00 0.86 0.10 -0.26 -1.14 0.00 0.00 176.83 176.39 2rk4 h PHE 162 N 0.79 0.60 -0.70 3.45 -1.00 -1.84 -0.49 116.94 117.75 2rk4 h PHE 162 Ca 0.16 -0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.88 2rk4 h PHE 162 Cb 0.44 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 2rk4 h PHE 162 CO 0.02 0.59 0.46 0.93 -1.61 0.00 0.00 178.31 178.70 2rk4 h GLU 163 N 0.44 0.92 0.16 1.51 5.08 -1.81 0.21 114.58 121.09 2rk4 h GLU 163 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2rk4 h GLU 163 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2rk4 h GLU 163 CO -0.00 0.61 -0.16 0.35 -1.00 0.00 0.00 179.01 178.81 2rk4 h PHE 164 N 0.95 -0.41 -0.72 4.33 3.57 -0.86 -0.34 116.94 123.45 2rk4 h PHE 164 Ca 0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2rk4 h PHE 164 Cb -0.11 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2rk4 h PHE 164 CO -0.02 -0.24 0.42 0.00 -2.23 0.00 0.00 178.31 176.24 2rk4 h ALA 165 N 0.45 0.92 -0.01 2.41 0.00 -0.83 -1.65 119.26 120.55 2rk4 h ALA 165 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2rk4 h ALA 165 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rk4 h ALA 165 CO -0.04 0.41 -0.44 -0.07 0.00 0.00 0.00 179.25 179.11 2rk4 h LEU 166 N 0.99 0.02 -0.75 0.00 3.38 -0.84 -0.84 115.31 117.28 2rk4 h LEU 166 Ca 0.26 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2rk4 h LEU 166 Cb -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2rk4 h LEU 166 CO -0.05 0.47 0.11 0.00 0.09 0.00 0.00 178.44 179.06 2rk4 h ALA 167 N 1.53 0.97 -0.20 1.53 0.00 -0.55 0.45 119.26 123.00 2rk4 h ALA 167 Ca -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2rk4 h ALA 167 Cb 0.80 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2rk4 h ALA 167 CO 0.06 0.65 0.11 0.82 0.00 0.00 0.00 179.25 180.89 2rk4 h ILE 168 N 1.00 1.10 -0.46 0.00 2.04 -0.84 -0.72 117.51 119.64 2rk4 h ILE 168 Ca 0.20 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.85 2rk4 h ILE 168 Cb 0.42 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2rk4 h ILE 168 CO 0.01 0.10 0.17 0.58 0.00 0.00 0.00 178.15 179.00 2rk4 h VAL 169 N 0.22 0.86 -0.72 1.67 2.07 -0.96 -1.48 116.25 117.90 2rk4 h VAL 169 Ca 0.07 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2rk4 h VAL 169 Cb 0.06 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2rk4 h VAL 169 CO -0.01 0.06 0.26 -0.08 0.02 0.00 0.00 177.57 177.82 2rk4 h GLU 170 N 0.34 1.10 -0.39 1.57 4.81 -0.72 0.35 114.58 121.63 2rk4 h GLU 170 Ca 0.22 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2rk4 h GLU 170 Cb 0.21 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2rk4 h GLU 170 CO -0.22 0.92 0.03 0.00 -0.73 0.00 0.00 179.01 179.01 2rk4 h ALA 171 N 1.12 1.33 0.10 2.92 0.00 -0.72 -0.29 119.26 123.73 2rk4 h ALA 171 Ca 0.24 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 2rk4 h ALA 171 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2rk4 h ALA 171 CO -0.01 0.47 -2.03 1.28 0.00 0.00 0.00 179.25 178.95 2rk4 n LEU 172 N -4.28 2.52 -0.04 0.00 4.32 -0.59 -4.68 117.00 114.25 2rk4 n LEU 172 Ca 0.02 0.19 0.01 0.00 -0.02 0.00 0.00 56.01 56.21 2rk4 n LEU 172 Cb 0.24 -0.99 -0.00 0.00 -1.62 0.00 0.00 43.42 41.05 2rk4 n LEU 172 CO 0.39 0.83 0.10 0.59 -1.22 0.00 0.00 177.39 178.08 2rk4 n ASN 173 N -3.42 0.51 0.00 -1.43 4.13 0.12 -5.04 115.26 110.12 2rk4 n ASN 173 Ca -0.32 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.18 2rk4 n ASN 173 Cb 1.04 0.63 0.00 0.00 -1.54 0.00 0.00 39.78 39.91 2rk4 n ASN 173 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2rk4 n GLY 174 N 0.71 2.07 0.32 7.41 0.00 -0.12 -4.48 105.19 111.09 2rk4 n GLY 174 Ca 0.01 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 2rk4 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rk4 h LYS 175 N 0.00 0.87 -0.22 1.61 1.57 -1.90 -2.37 116.57 116.13 2rk4 h LYS 175 Ca 0.00 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2rk4 h LYS 175 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2rk4 h LYS 175 CO 0.00 0.71 0.01 1.49 -0.57 0.00 0.00 179.45 181.09 2rk4 h GLU 176 N 0.86 0.39 -0.52 3.15 4.81 -1.96 -0.75 114.58 120.55 2rk4 h GLU 176 Ca 0.20 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2rk4 h GLU 176 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2rk4 h GLU 176 CO -0.02 0.56 0.29 0.28 -0.73 0.00 0.00 179.01 179.39 2rk4 h VAL 177 N 0.17 1.17 -0.76 0.32 2.07 -1.77 -0.95 116.25 116.51 2rk4 h VAL 177 Ca 0.06 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.22 2rk4 h VAL 177 Cb 0.38 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2rk4 h VAL 177 CO 0.01 0.18 0.44 0.00 0.02 0.00 0.00 177.57 178.22 2rk4 h ALA 178 N 1.13 1.04 -0.63 1.67 0.00 -1.18 -0.57 119.26 120.72 2rk4 h ALA 178 Ca 0.18 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2rk4 h ALA 178 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2rk4 h ALA 178 CO -0.03 0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.50 2rk4 h ALA 179 N 1.39 0.83 -0.68 0.00 0.00 -0.70 -0.37 119.26 119.73 2rk4 h ALA 179 Ca 0.34 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2rk4 h ALA 179 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2rk4 h ALA 179 CO -0.20 0.53 0.19 1.96 0.00 0.00 0.00 179.25 181.73 2rk4 h GLN 180 N 0.92 1.07 -0.33 0.00 4.20 -0.63 -2.58 115.11 117.75 2rk4 h GLN 180 Ca 0.20 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2rk4 h GLN 180 Cb 0.34 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2rk4 h GLN 180 CO -0.00 0.94 -0.28 0.28 -0.67 0.00 0.00 178.83 179.10 2rk4 h VAL 181 N 1.00 1.28 -0.55 -0.54 2.07 -0.95 -3.27 116.25 115.30 2rk4 h VAL 181 Ca 0.22 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 2rk4 h VAL 181 Cb 0.33 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2rk4 h VAL 181 CO -0.00 0.45 0.16 0.50 0.02 0.00 0.00 177.57 178.70 2rk4 h LYS 182 N 0.59 0.86 -0.49 1.57 3.64 -0.83 -3.34 116.57 118.58 2rk4 h LYS 182 Ca 0.07 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2rk4 h LYS 182 Cb 0.77 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 2rk4 h LYS 182 CO 0.06 0.79 0.27 0.00 -2.27 0.00 0.00 179.45 178.31 2rk4 h ALA 183 N 1.03 0.62 0.00 5.00 0.00 -1.52 -1.09 119.26 123.31 2rk4 h ALA 183 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2rk4 h ALA 183 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2rk4 h ALA 183 CO -0.00 -0.05 0.00 -2.30 0.00 0.00 0.00 179.25 176.90 2rk4 n PRO 184 N -4.84 0.21 0.17 0.00 -0.02 -1.25 -2.99 135.00 126.27 2rk4 n PRO 184 Ca 0.03 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2rk4 n PRO 184 Cb 0.09 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.36 2rk4 n PRO 184 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2rk4 h LEU 185 N 0.00 0.00 -1.43 2.45 3.38 -1.35 -3.47 115.31 114.88 2rk4 h LEU 185 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2rk4 h LEU 185 Cb 0.16 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.06 2rk4 h LEU 185 CO 0.00 0.00 -0.69 0.52 0.09 0.00 0.00 178.44 178.36 2rk4 n VAL 186 N -2.71 -4.74 -1.65 1.22 0.31 -1.16 -5.02 118.33 104.59 2rk4 n VAL 186 Ca 0.05 -0.32 -0.30 0.00 -0.01 0.00 0.00 64.34 63.75 2rk4 n VAL 186 Cb 0.48 -4.52 0.06 0.00 -0.91 0.00 0.00 33.84 28.95 2rk4 n VAL 186 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2rk4 s LEU 187 N -6.30 2.90 0.00 7.52 1.43 -1.26 -5.19 118.68 117.78 2rk4 s LEU 187 Ca 0.16 1.39 0.29 0.00 -1.03 0.00 0.00 54.13 54.95 2rk4 s LEU 187 Cb -0.07 -4.17 1.36 0.00 0.03 0.00 0.00 46.19 43.33 2rk4 s LEU 187 CO 0.68 -1.56 1.92 1.17 0.23 0.00 0.00 176.35 178.79