#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwn s PRO 2 N 0.00 3.35 0.34 3.23 0.04 -1.26 -4.92 135.00 135.78 3kwn s PRO 2 Ca 0.00 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.16 3kwn s PRO 2 Cb 0.00 -2.31 0.63 0.00 0.04 0.00 0.00 34.50 32.86 3kwn s PRO 2 CO 0.00 -0.97 1.90 -0.44 0.04 0.00 0.00 177.00 177.53 3kwn h ASP 3 N 1.66 0.50 -3.97 6.66 5.19 -2.02 -3.44 116.42 121.00 3kwn h ASP 3 Ca -0.50 -0.08 -0.29 0.00 -0.62 0.00 0.00 57.03 55.54 3kwn h ASP 3 Cb 1.28 -0.13 -0.27 0.00 0.18 0.00 0.00 39.33 40.39 3kwn h ASP 3 CO 0.58 0.54 -0.74 -0.44 -3.12 0.00 0.00 179.24 176.06 3kwn s SER 4 N -6.72 0.44 -0.01 6.45 0.01 -1.26 -4.37 113.70 108.24 3kwn s SER 4 Ca -0.08 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.08 3kwn s SER 4 Cb 0.16 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.35 3kwn s SER 4 CO 0.76 0.01 -0.07 -0.69 0.41 0.00 0.00 173.24 173.66 3kwn s VAL 5 N -0.24 0.60 -0.29 3.43 1.01 -0.30 -4.96 120.40 119.65 3kwn s VAL 5 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3kwn s VAL 5 Cb -0.02 -0.52 0.15 0.00 0.00 0.00 0.00 36.38 35.98 3kwn s VAL 5 CO -0.00 0.18 0.34 -0.62 0.00 0.00 0.00 175.10 175.00 3kwn s ASP 6 N -0.06 1.15 0.42 3.32 -1.08 -1.26 -0.93 116.67 118.23 3kwn s ASP 6 Ca 0.01 -0.64 0.30 0.00 -0.52 0.00 0.00 52.55 51.70 3kwn s ASP 6 Cb -0.04 0.75 1.38 0.00 -1.46 0.00 0.00 42.92 43.54 3kwn s ASP 6 CO -0.00 -0.37 1.89 -0.50 0.52 0.00 0.00 175.17 176.71 3kwn h TRP 7 N 8.18 0.00 -0.11 -5.34 4.06 -1.36 -1.48 115.95 119.89 3kwn h TRP 7 Ca -0.11 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 3kwn h TRP 7 Cb 1.09 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 3kwn h TRP 7 CO 0.28 0.00 -0.10 0.00 -3.56 0.00 0.00 178.44 175.05 3kwn h ARG 8 N 0.00 0.17 0.00 0.49 3.08 -1.93 -1.48 114.38 114.71 3kwn h ARG 8 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kwn h ARG 8 Cb 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3kwn h ARG 8 CO 0.00 0.28 0.00 0.93 -1.07 0.00 0.00 179.97 180.11 3kwn h GLU 9 N 0.16 0.00 -0.69 0.04 5.08 -1.67 -2.40 114.58 115.11 3kwn h GLU 9 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kwn h GLU 9 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kwn h GLU 9 CO 0.02 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 3kwn n LYS 10 N -2.85 3.44 -2.51 2.33 5.02 -0.58 -4.96 118.16 118.07 3kwn n LYS 10 Ca -0.01 -2.82 -0.20 0.00 -2.02 0.00 0.00 58.31 53.26 3kwn n LYS 10 Cb 0.16 -1.81 -0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3kwn n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwn n GLY 11 N 1.32 -0.45 0.88 0.72 0.00 -0.90 -4.91 105.19 101.85 3kwn n GLY 11 Ca 0.26 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.36 3kwn n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwn s VAL 13 N -1.46 1.24 0.99 0.00 1.01 -1.26 -3.53 120.40 117.38 3kwn s VAL 13 Ca 0.28 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 3kwn s VAL 13 Cb 0.18 -1.19 0.19 0.00 0.00 0.00 0.00 36.38 35.56 3kwn s VAL 13 CO 0.26 0.40 1.22 0.42 0.00 0.00 0.00 175.10 177.39 3kwn s THR 14 N 1.35 1.91 0.40 3.92 -4.23 -1.26 -4.96 115.64 112.77 3kwn s THR 14 Ca -0.01 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.24 3kwn s THR 14 Cb -0.14 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.78 3kwn s THR 14 CO -0.05 0.00 1.35 -0.70 -0.54 0.00 0.00 174.62 174.67 3kwn s GLU 15 N -5.61 3.99 0.41 3.99 2.12 -1.26 -4.95 118.70 117.40 3kwn s GLU 15 Ca 0.70 2.26 -0.27 0.00 0.36 0.00 0.00 54.97 58.02 3kwn s GLU 15 Cb -0.08 -2.81 -0.10 0.00 0.26 0.00 0.00 34.13 31.39 3kwn s GLU 15 CO 0.53 -0.51 1.48 0.08 -0.54 0.00 0.00 175.26 176.30 3kwn s VAL 16 N -1.21 2.01 0.51 3.70 1.01 -1.26 -5.02 120.40 120.14 3kwn s VAL 16 Ca 0.56 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.62 3kwn s VAL 16 Cb -0.40 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.01 3kwn s VAL 16 CO 0.53 0.00 0.56 -0.54 0.00 0.00 0.00 175.10 175.65 3kwn s LYS 17 N -2.26 2.40 -0.24 2.72 -0.14 -1.26 -4.77 119.74 116.19 3kwn s LYS 17 Ca 0.56 -1.69 -0.01 0.00 -1.36 0.00 0.00 55.97 53.47 3kwn s LYS 17 Cb -0.46 -2.43 0.07 0.00 -1.68 0.00 0.00 37.83 33.33 3kwn s LYS 17 CO 0.61 -0.57 0.04 -0.47 -0.76 0.00 0.00 175.35 174.20 3kwn s TYR 18 N -2.62 1.55 0.13 3.18 5.04 -1.25 -1.03 117.35 122.35 3kwn s TYR 18 Ca 0.50 -1.34 0.20 0.00 -2.44 0.00 0.00 57.07 53.99 3kwn s TYR 18 Cb -0.05 -1.37 0.70 0.00 0.35 0.00 0.00 41.96 41.60 3kwn s TYR 18 CO 0.30 -0.73 1.74 -0.56 -1.34 0.00 0.00 175.55 174.96 3kwn h GLN 19 N 8.13 0.00 0.00 4.97 3.07 -1.27 -3.48 115.11 126.53 3kwn h GLN 19 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.58 3kwn h GLN 19 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 3kwn h GLN 19 CO 0.40 0.34 0.00 0.41 0.09 0.00 0.00 178.83 180.06 3kwn n GLY 20 N 0.28 0.98 0.00 0.06 0.00 -1.26 -3.13 105.19 102.12 3kwn n GLY 20 Ca 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.39 3kwn n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kwn n SER 21 N -0.67 0.00 -4.64 1.61 3.41 -1.26 -4.72 113.62 107.35 3kwn n SER 21 Ca 0.00 -1.45 -0.38 0.00 -0.26 0.00 0.00 58.87 56.78 3kwn n SER 21 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3kwn n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwn n GLY 23 N 4.38 4.42 0.82 0.00 0.00 0.65 -4.56 105.19 110.90 3kwn n GLY 23 Ca -0.11 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.40 3kwn n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwn n ALA 24 N 5.67 2.89 -0.31 4.61 0.00 -1.26 -3.20 120.51 128.92 3kwn n ALA 24 Ca 0.55 -2.24 0.11 0.00 0.00 0.00 0.00 53.44 51.86 3kwn n ALA 24 Cb 0.37 -0.67 0.27 0.00 0.00 0.00 0.00 19.45 19.42 3kwn n ALA 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kwn h SER 25 N 1.71 0.49 -0.77 0.00 4.64 -1.86 0.56 113.55 118.32 3kwn h SER 25 Ca 0.00 0.12 0.11 0.00 -0.47 0.00 0.00 61.79 61.55 3kwn h SER 25 Cb 1.36 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.45 3kwn h SER 25 CO 0.19 0.14 0.51 4.11 -0.87 0.00 0.00 176.83 180.90 3kwn h TRP 26 N 0.55 0.69 -0.01 4.77 5.08 -1.83 0.20 115.95 125.40 3kwn h TRP 26 Ca 0.52 0.02 -0.21 0.00 1.08 0.00 0.00 58.89 60.30 3kwn h TRP 26 Cb 0.86 -0.22 0.02 0.00 -3.00 0.00 0.00 29.16 26.82 3kwn h TRP 26 CO -0.10 0.31 -0.82 0.00 -1.28 0.00 0.00 178.44 176.56 3kwn h ALA 27 N 1.62 0.11 -0.58 0.11 0.00 -1.26 -1.98 119.26 117.29 3kwn h ALA 27 Ca 0.36 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3kwn h ALA 27 Cb 0.55 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kwn h ALA 27 CO -0.14 0.52 0.07 0.74 0.00 0.00 0.00 179.25 180.44 3kwn h PHE 28 N 0.16 1.04 -0.40 0.00 -1.00 -1.07 -1.56 116.94 114.11 3kwn h PHE 28 Ca -0.10 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.57 3kwn h PHE 28 Cb 1.50 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.73 3kwn h PHE 28 CO 0.12 0.91 0.16 1.03 -1.61 0.00 0.00 178.31 178.93 3kwn h SER 29 N 0.87 0.20 0.46 2.17 0.87 -0.64 -0.41 113.55 117.07 3kwn h SER 29 Ca 0.17 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3kwn h SER 29 Cb 0.45 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3kwn h SER 29 CO 0.02 0.15 -0.25 0.00 -0.53 0.00 0.00 176.83 176.21 3kwn h ALA 30 N 1.24 -0.67 -0.54 6.23 0.00 -1.20 -2.58 119.26 121.74 3kwn h ALA 30 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kwn h ALA 30 Cb 0.14 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3kwn h ALA 30 CO -0.16 -0.88 0.27 -0.39 0.00 0.00 0.00 179.25 178.08 3kwn h VAL 31 N -0.67 1.18 -0.34 0.00 -1.51 -1.22 -2.49 116.25 111.19 3kwn h VAL 31 Ca -0.06 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 3kwn h VAL 31 Cb 0.53 0.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 3kwn h VAL 31 CO 0.08 0.20 0.19 1.23 -1.23 0.00 0.00 177.57 178.04 3kwn h GLY 32 N 0.85 0.51 1.00 5.19 0.00 -0.97 0.25 103.07 109.89 3kwn h GLY 32 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3kwn h GLY 32 CO -0.03 0.22 0.31 0.00 0.00 0.00 0.00 176.54 177.04 3kwn h ALA 33 N 1.06 0.62 -0.32 3.60 0.00 -1.23 -2.91 119.26 120.09 3kwn h ALA 33 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3kwn h ALA 33 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kwn h ALA 33 CO -0.02 0.09 -0.31 1.25 0.00 0.00 0.00 179.25 180.26 3kwn h LEU 34 N 0.66 0.70 -1.40 0.00 5.85 -1.16 -2.70 115.31 117.27 3kwn h LEU 34 Ca 0.18 -0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.77 3kwn h LEU 34 Cb -0.05 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 3kwn h LEU 34 CO -0.04 0.96 0.55 -0.33 -0.34 0.00 0.00 178.44 179.24 3kwn h GLU 35 N 0.57 0.58 -0.09 1.25 5.08 -0.33 0.09 114.58 121.73 3kwn h GLU 35 Ca 0.07 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 3kwn h GLU 35 Cb 0.81 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.94 3kwn h GLU 35 CO 0.07 0.38 -0.56 0.00 -1.00 0.00 0.00 179.01 177.90 3kwn h ALA 36 N 1.61 0.19 -0.94 3.43 0.00 -1.32 -2.20 119.26 120.04 3kwn h ALA 36 Ca 0.42 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3kwn h ALA 36 Cb 0.76 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3kwn h ALA 36 CO -0.17 0.42 0.62 1.96 0.00 0.00 0.00 179.25 182.07 3kwn h GLN 37 N 0.14 1.16 -0.33 0.00 1.08 -1.27 -1.68 115.11 114.22 3kwn h GLN 37 Ca -0.04 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 3kwn h GLN 37 Cb 1.21 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 3kwn h GLN 37 CO 0.11 0.77 -0.02 1.25 -0.95 0.00 0.00 178.83 180.00 3kwn h LEU 38 N 1.20 0.58 -0.52 1.46 5.85 -0.96 -1.65 115.31 121.27 3kwn h LEU 38 Ca 0.37 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3kwn h LEU 38 Cb -0.02 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3kwn h LEU 38 CO -0.10 0.76 0.31 0.50 -0.34 0.00 0.00 178.44 179.56 3kwn h LYS 39 N 0.38 0.59 -0.58 1.25 3.11 -1.20 0.54 116.57 120.67 3kwn h LYS 39 Ca 0.09 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 3kwn h LYS 39 Cb 0.47 -0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 3kwn h LYS 39 CO 0.02 0.39 0.36 -0.07 -2.81 0.00 0.00 179.45 177.34 3kwn h LEU 40 N 0.61 0.68 -0.06 5.20 4.07 -1.18 0.23 115.31 124.86 3kwn h LEU 40 Ca 0.21 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 3kwn h LEU 40 Cb 0.04 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.61 3kwn h LEU 40 CO -0.10 0.53 -0.24 0.50 -1.08 0.00 0.00 178.44 178.04 3kwn h LYS 41 N 0.78 0.28 0.00 1.13 3.64 -1.05 -3.38 116.57 117.96 3kwn h LYS 41 Ca 0.21 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kwn h LYS 41 Cb -0.04 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kwn h LYS 41 CO -0.04 0.84 -1.22 0.25 -2.27 0.00 0.00 179.45 177.01 3kwn n THR 42 N -4.51 0.00 -0.66 1.00 -2.24 0.16 -4.98 114.28 103.05 3kwn n THR 42 Ca -0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3kwn n THR 42 Cb 0.45 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3kwn n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwn n GLY 43 N 1.44 1.46 3.68 3.38 0.00 0.80 -5.01 105.19 110.94 3kwn n GLY 43 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3kwn n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kwn s LYS 44 N -0.07 3.99 -0.23 1.61 2.20 -1.25 -4.99 119.74 121.00 3kwn s LYS 44 Ca 0.00 -0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.19 3kwn s LYS 44 Cb 0.00 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 3kwn s LYS 44 CO 0.00 0.32 0.24 -1.17 -0.36 0.00 0.00 175.35 174.38 3kwn s LEU 45 N 0.26 4.13 -0.16 5.43 2.96 -1.26 -3.15 118.68 126.88 3kwn s LEU 45 Ca 0.05 0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 54.13 3kwn s LEU 45 Cb -0.12 -2.24 0.06 0.00 0.50 0.00 0.00 46.19 44.39 3kwn s LEU 45 CO -0.00 0.02 0.38 0.54 -1.32 0.00 0.00 176.35 175.97 3kwn s VAL 46 N 1.14 -0.04 0.17 1.68 0.11 -1.26 -5.09 120.40 117.11 3kwn s VAL 46 Ca 0.11 0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 58.95 3kwn s VAL 46 Cb -0.14 -0.58 -0.10 0.00 -1.53 0.00 0.00 36.38 34.04 3kwn s VAL 46 CO 0.06 0.04 1.52 -0.44 -3.33 0.00 0.00 175.10 172.95 3kwn s SER 47 N 1.41 6.63 0.23 3.54 0.01 -1.26 -4.83 113.70 119.42 3kwn s SER 47 Ca -0.09 2.58 0.04 0.00 1.31 0.00 0.00 55.95 59.78 3kwn s SER 47 Cb -0.09 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3kwn s SER 47 CO -0.12 -0.78 0.36 -0.76 0.41 0.00 0.00 173.24 172.35 3kwn s LEU 48 N 0.96 4.30 -0.72 2.44 1.43 -1.26 -1.44 118.68 124.38 3kwn s LEU 48 Ca 0.68 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.63 3kwn s LEU 48 Cb -0.42 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 42.91 3kwn s LEU 48 CO 0.32 -0.06 1.35 -0.55 0.23 0.00 0.00 176.35 177.64 3kwn s SER 49 N -3.82 6.06 0.45 2.29 0.15 -0.51 -4.21 113.70 114.10 3kwn s SER 49 Ca 0.35 -0.36 0.11 0.00 0.70 0.00 0.00 55.95 56.75 3kwn s SER 49 Cb -0.09 -2.56 0.99 0.00 -1.71 0.00 0.00 66.02 62.65 3kwn s SER 49 CO 0.29 -1.90 2.07 0.00 1.20 0.00 0.00 173.24 174.91 3kwn h ALA 50 N 10.59 1.78 -0.67 5.45 0.00 -1.85 -3.00 119.26 131.57 3kwn h ALA 50 Ca -0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 3kwn h ALA 50 Cb 1.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3kwn h ALA 50 CO 1.27 0.19 0.13 0.37 0.00 0.00 0.00 179.25 181.20 3kwn h GLN 51 N 0.32 1.08 -0.97 0.00 5.75 -1.86 -1.32 115.11 118.11 3kwn h GLN 51 Ca 0.08 -0.27 0.17 0.00 -0.15 0.00 0.00 58.65 58.47 3kwn h GLN 51 Cb 0.02 -0.13 -0.10 0.00 1.07 0.00 0.00 27.48 28.33 3kwn h GLN 51 CO -0.01 0.98 0.58 -0.97 -2.65 0.00 0.00 178.83 176.76 3kwn h ASN 52 N 1.02 0.76 -0.05 -0.69 -0.00 -1.76 0.20 115.58 115.07 3kwn h ASN 52 Ca 0.21 0.09 -0.02 0.00 -0.00 0.00 0.00 56.30 56.57 3kwn h ASN 52 Cb 0.41 -0.05 -0.00 0.00 -0.00 0.00 0.00 38.32 38.68 3kwn h ASN 52 CO 0.01 0.31 -0.06 -0.07 -0.00 0.00 0.00 177.43 177.61 3kwn h LEU 53 N 0.79 0.14 -0.49 0.34 3.38 -1.35 -1.87 115.31 116.25 3kwn h LEU 53 Ca 0.54 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3kwn h LEU 53 Cb 0.76 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 3kwn h LEU 53 CO -0.35 0.63 0.16 0.58 0.09 0.00 0.00 178.44 179.55 3kwn h VAL 54 N -0.34 0.82 0.04 1.22 2.07 -0.90 -0.15 116.25 119.01 3kwn h VAL 54 Ca 0.01 -0.11 -0.22 0.00 0.82 0.00 0.00 66.70 67.19 3kwn h VAL 54 Cb 0.60 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3kwn h VAL 54 CO 0.02 0.06 -1.04 0.44 0.02 0.00 0.00 177.57 177.07 3kwn h ASP 55 N 0.33 0.18 0.00 0.57 3.32 -1.03 -3.39 116.42 116.39 3kwn h ASP 55 Ca 0.24 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3kwn h ASP 55 Cb 0.26 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3kwn h ASP 55 CO -0.25 1.10 -1.45 0.00 -1.72 0.00 0.00 179.24 176.92 3kwn s SER 57 N -4.37 6.84 0.00 0.00 0.15 -0.08 -4.86 113.70 111.38 3kwn s SER 57 Ca -0.08 -2.50 0.00 0.00 0.70 0.00 0.00 55.95 54.07 3kwn s SER 57 Cb 0.02 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 3kwn s SER 57 CO 0.22 -0.91 0.00 0.35 1.20 0.00 0.00 173.24 174.10 3kwn n THR 58 N 5.07 0.00 0.02 6.45 -2.24 -1.26 -4.59 114.28 117.73 3kwn n THR 58 Ca 0.30 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.03 3kwn n THR 58 Cb 0.46 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.85 3kwn n THR 58 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kwn h GLU 59 N 0.00 0.46 -0.34 -0.78 3.07 -1.89 0.16 114.58 115.25 3kwn h GLU 59 Ca 0.00 -0.21 0.10 0.00 -0.50 0.00 0.00 59.36 58.74 3kwn h GLU 59 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3kwn h GLU 59 CO 0.00 0.76 0.42 -0.22 -1.40 0.00 0.00 179.01 178.57 3kwn h LYS 60 N 0.39 0.00 -0.32 2.33 3.64 -1.94 -1.46 116.57 119.21 3kwn h LYS 60 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kwn h LYS 60 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3kwn h LYS 60 CO 0.07 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 3kwn n TYR 61 N -3.60 0.54 -1.34 1.91 4.02 0.49 -4.97 117.16 114.21 3kwn n TYR 61 Ca 0.06 -0.57 -0.12 0.00 -0.01 0.00 0.00 57.90 57.26 3kwn n TYR 61 Cb 0.57 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 39.76 3kwn n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kwn n GLY 62 N 0.29 1.25 3.90 2.72 0.00 -0.55 -4.80 105.19 108.00 3kwn n GLY 62 Ca 0.13 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3kwn n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kwn s ASN 63 N -2.74 6.26 -0.17 1.61 0.01 -0.85 -4.77 114.94 114.28 3kwn s ASN 63 Ca 0.00 0.26 0.14 0.00 -0.71 0.00 0.00 52.86 52.55 3kwn s ASN 63 Cb 0.00 -1.91 0.43 0.00 0.41 0.00 0.00 41.25 40.18 3kwn s ASN 63 CO 0.00 0.19 1.20 0.29 -1.51 0.00 0.00 177.10 177.28 3kwn n LYS 64 N 0.48 1.38 0.00 -0.60 5.02 0.15 -3.68 118.16 120.91 3kwn n LYS 64 Ca -0.07 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 3kwn n LYS 64 Cb 0.51 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 3kwn n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwn n GLY 65 N -0.72 4.01 0.00 0.72 0.00 -1.17 -1.55 105.19 106.47 3kwn n GLY 65 Ca 0.18 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.40 3kwn n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwn n ASN 67 N -1.34 3.92 0.00 0.00 3.02 -0.60 -0.25 115.26 120.02 3kwn n ASN 67 Ca 0.06 -2.17 0.00 0.00 -0.03 0.00 0.00 54.58 52.44 3kwn n ASN 67 Cb 0.12 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 3kwn n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kwn n GLY 68 N 1.12 2.48 0.00 7.41 0.00 -0.73 -4.82 105.19 110.65 3kwn n GLY 68 Ca 0.22 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3kwn n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwn n GLY 69 N -0.93 -1.28 3.25 -0.02 0.00 -1.26 0.33 105.19 105.27 3kwn n GLY 69 Ca 0.00 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 3kwn n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kwn s PHE 70 N -2.86 1.83 0.20 1.61 0.40 -1.26 -4.75 117.98 113.14 3kwn s PHE 70 Ca 0.00 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 3kwn s PHE 70 Cb 0.00 -1.10 0.16 0.00 0.51 0.00 0.00 43.02 42.58 3kwn s PHE 70 CO 0.00 0.07 1.55 0.52 0.70 0.00 0.00 175.22 178.06 3kwn h MET 71 N 5.00 0.57 -0.44 0.44 2.86 -1.98 -2.20 114.93 119.17 3kwn h MET 71 Ca -0.42 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 56.88 3kwn h MET 71 Cb 1.16 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 3kwn h MET 71 CO 0.44 0.92 0.19 1.79 1.06 0.00 0.00 176.91 181.32 3kwn h THR 72 N 0.45 1.19 0.00 2.22 1.35 -1.96 -0.42 112.91 115.74 3kwn h THR 72 Ca 0.02 -0.57 -0.16 0.00 -0.55 0.00 0.00 66.41 65.15 3kwn h THR 72 Cb 1.00 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 3kwn h THR 72 CO 0.09 0.21 -0.77 0.71 -0.25 0.00 0.00 175.52 175.52 3kwn h THR 73 N 0.57 1.43 -0.03 6.82 1.35 -1.87 -1.09 112.91 120.09 3kwn h THR 73 Ca 0.15 -2.75 0.03 0.00 -0.55 0.00 0.00 66.41 63.29 3kwn h THR 73 Cb 0.15 2.54 -0.05 0.00 -1.73 0.00 0.00 68.15 69.07 3kwn h THR 73 CO -0.02 0.75 -0.24 0.00 -0.25 0.00 0.00 175.52 175.77 3kwn h ALA 74 N 1.23 -0.29 -0.55 6.62 0.00 -1.21 -0.01 119.26 125.05 3kwn h ALA 74 Ca -0.01 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kwn h ALA 74 Cb 1.48 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 3kwn h ALA 74 CO 0.10 -0.73 0.26 0.74 0.00 0.00 0.00 179.25 179.62 3kwn h PHE 75 N -0.35 0.47 -0.68 0.00 0.04 -0.88 -2.02 116.94 113.51 3kwn h PHE 75 Ca 0.07 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.91 3kwn h PHE 75 Cb 0.45 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.42 3kwn h PHE 75 CO -0.29 0.20 0.39 0.37 -0.60 0.00 0.00 178.31 178.39 3kwn h GLN 76 N 0.49 0.72 -0.66 1.51 5.75 -1.00 -0.18 115.11 121.74 3kwn h GLN 76 Ca 0.25 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 3kwn h GLN 76 Cb 0.20 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 3kwn h GLN 76 CO -0.20 0.48 0.34 -0.92 -2.65 0.00 0.00 178.83 175.88 3kwn h TYR 77 N 0.74 0.61 -0.64 3.99 3.20 -0.46 0.20 116.97 124.61 3kwn h TYR 77 Ca 0.29 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.12 3kwn h TYR 77 Cb 0.14 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 3kwn h TYR 77 CO -0.07 0.26 0.13 0.82 -1.64 0.00 0.00 178.16 177.66 3kwn h ILE 78 N 0.61 1.26 0.27 1.81 2.04 -0.52 0.45 117.51 123.42 3kwn h ILE 78 Ca 0.31 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3kwn h ILE 78 Cb 0.27 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3kwn h ILE 78 CO -0.22 0.36 -0.17 0.40 0.00 0.00 0.00 178.15 178.52 3kwn h ILE 79 N 0.96 0.64 -0.86 -0.67 2.04 -0.68 -2.13 117.51 116.80 3kwn h ILE 79 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 3kwn h ILE 79 Cb 0.39 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 3kwn h ILE 79 CO 0.01 0.00 0.47 0.44 0.00 0.00 0.00 178.15 179.07 3kwn h ASP 80 N -0.42 1.08 1.21 1.72 3.32 -0.67 -2.95 116.42 119.71 3kwn h ASP 80 Ca -0.02 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kwn h ASP 80 Cb 0.36 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3kwn h ASP 80 CO 0.02 0.87 0.00 -1.13 -1.72 0.00 0.00 179.24 177.28 3kwn h ASN 81 N 1.20 0.00 -1.70 6.45 -1.24 -0.01 -3.47 115.58 116.82 3kwn h ASN 81 Ca 0.30 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 57.03 3kwn h ASN 81 Cb 0.03 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 3kwn h ASN 81 CO -0.05 0.00 -0.34 0.29 -1.29 0.00 0.00 177.43 176.04 3kwn n LYS 82 N -2.47 -1.10 0.00 6.67 4.76 -0.83 -4.93 118.16 120.26 3kwn n LYS 82 Ca 0.03 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.24 3kwn n LYS 82 Cb 0.35 -5.01 0.00 0.00 -1.84 0.00 0.00 35.03 28.53 3kwn n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kwn n GLY 83 N -1.07 2.58 2.90 0.72 0.00 -1.06 -4.90 105.19 104.36 3kwn n GLY 83 Ca -0.16 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 3kwn n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kwn s ILE 84 N -2.00 0.17 0.60 -0.61 2.07 -0.50 -4.69 121.20 116.23 3kwn s ILE 84 Ca 0.00 -0.09 -0.16 0.00 -1.41 0.00 0.00 60.65 58.99 3kwn s ILE 84 Cb 0.00 -0.15 -0.03 0.00 0.13 0.00 0.00 42.46 42.41 3kwn s ILE 84 CO 0.00 0.05 1.08 -1.81 -1.91 0.00 0.00 174.94 172.35 3kwn s ASP 85 N -0.03 5.62 0.70 4.50 1.01 -1.26 -1.09 116.67 126.13 3kwn s ASP 85 Ca 0.01 1.93 -0.16 0.00 0.71 0.00 0.00 52.55 55.03 3kwn s ASP 85 Cb -0.01 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.39 3kwn s ASP 85 CO -0.00 -1.28 1.25 -1.54 0.21 0.00 0.00 175.17 173.81 3kwn n SER 86 N -1.95 1.67 0.20 0.27 3.41 -0.77 -1.42 113.62 115.04 3kwn n SER 86 Ca 0.10 0.75 0.04 0.00 -0.26 0.00 0.00 58.87 59.49 3kwn n SER 86 Cb 0.52 -1.53 0.43 0.00 -0.26 0.00 0.00 64.21 63.36 3kwn n SER 86 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3kwn h ASP 87 N 0.06 0.00 -0.73 4.04 1.82 -1.42 -2.59 116.42 117.59 3kwn h ASP 87 Ca -0.49 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.18 3kwn h ASP 87 Cb 1.33 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.29 3kwn h ASP 87 CO 0.50 0.28 0.46 0.00 -1.61 0.00 0.00 179.24 178.88 3kwn h ALA 88 N 1.72 0.96 0.00 -0.78 0.00 -1.91 -2.32 119.26 116.92 3kwn h ALA 88 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3kwn h ALA 88 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kwn h ALA 88 CO 0.04 0.25 -0.70 0.66 0.00 0.00 0.00 179.25 179.50 3kwn h SER 89 N 0.90 0.00 -2.09 0.00 4.64 -1.90 -3.40 113.55 111.70 3kwn h SER 89 Ca 0.30 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.05 3kwn h SER 89 Cb 0.02 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 61.72 3kwn h SER 89 CO -0.11 0.67 -1.06 0.00 -0.87 0.00 0.00 176.83 175.45 3kwn n TYR 90 N -3.26 -0.35 -1.47 4.77 4.19 -0.99 -5.04 117.16 115.01 3kwn n TYR 90 Ca 0.01 -3.53 -0.31 0.00 3.31 0.00 0.00 57.90 57.38 3kwn n TYR 90 Cb 0.81 -0.23 0.07 0.00 0.49 0.00 0.00 39.34 40.48 3kwn n TYR 90 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kwn s PRO 91 N -0.96 2.65 -0.05 2.98 0.04 -0.89 -4.49 135.00 134.28 3kwn s PRO 91 Ca 0.35 0.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 3kwn s PRO 91 Cb 0.14 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 3kwn s PRO 91 CO -0.13 -1.31 0.89 -0.47 0.04 0.00 0.00 177.00 176.02 3kwn s TYR 92 N -3.01 3.60 -0.53 0.56 5.04 -1.26 -4.77 117.35 116.97 3kwn s TYR 92 Ca 0.59 1.52 0.05 0.00 -2.44 0.00 0.00 57.07 56.79 3kwn s TYR 92 Cb -0.15 -3.03 0.01 0.00 0.35 0.00 0.00 41.96 39.14 3kwn s TYR 92 CO 0.55 -0.03 0.51 1.63 -1.34 0.00 0.00 175.55 176.87 3kwn n LYS 93 N 4.14 1.80 -3.44 4.97 4.76 -1.26 -5.01 118.16 124.12 3kwn n LYS 93 Ca 0.04 -0.53 -0.25 0.00 -2.87 0.00 0.00 58.31 54.70 3kwn n LYS 93 Cb 0.51 -0.97 0.04 0.00 -1.84 0.00 0.00 35.03 32.76 3kwn n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kwn n ALA 94 N -0.20 -1.15 -3.39 7.82 0.00 -1.26 -4.97 120.51 117.36 3kwn n ALA 94 Ca 0.02 0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 3kwn n ALA 94 Cb 0.12 -4.33 -0.03 0.00 0.00 0.00 0.00 19.45 15.21 3kwn n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwn s MET 95 N -6.14 1.42 0.06 0.00 0.23 -1.26 -4.37 119.30 109.25 3kwn s MET 95 Ca 0.48 -0.84 -0.30 0.00 -1.03 0.00 0.00 55.69 54.00 3kwn s MET 95 Cb -0.23 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.56 3kwn s MET 95 CO 0.60 -0.61 1.09 -0.51 -2.03 0.00 0.00 175.02 173.55 3kwn s ASP 96 N -2.87 7.24 0.15 -1.18 1.01 -1.26 -4.93 116.67 114.83 3kwn s ASP 96 Ca 0.09 1.88 -0.00 0.00 0.71 0.00 0.00 52.55 55.22 3kwn s ASP 96 Cb -0.02 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3kwn s ASP 96 CO -0.03 -0.33 0.05 -1.10 0.21 0.00 0.00 175.17 173.97 3kwn s GLN 97 N 0.78 1.00 0.44 8.23 -0.21 -1.26 -5.11 119.66 123.53 3kwn s GLN 97 Ca 0.54 -1.48 -0.26 0.00 0.02 0.00 0.00 55.36 54.18 3kwn s GLN 97 Cb -0.26 0.13 -0.09 0.00 1.00 0.00 0.00 33.01 33.79 3kwn s GLN 97 CO 0.30 -0.25 1.44 -1.59 -2.12 0.00 0.00 175.29 173.07 3kwn s LYS 98 N -4.03 3.74 0.04 2.91 0.00 -1.26 -4.56 119.74 116.58 3kwn s LYS 98 Ca 0.26 2.45 -0.30 0.00 0.00 0.00 0.00 55.97 58.37 3kwn s LYS 98 Cb 0.07 -2.70 -0.09 0.00 0.00 0.00 0.00 37.83 35.12 3kwn s LYS 98 CO 0.03 -0.79 1.88 0.00 0.00 0.00 0.00 175.35 176.48 3kwn n GLN 100 N 7.03 2.19 -1.73 0.00 6.02 -1.26 -5.05 117.38 124.58 3kwn n GLN 100 Ca 0.19 -3.54 -0.42 0.00 -0.01 0.00 0.00 57.00 53.21 3kwn n GLN 100 Cb 0.41 -1.83 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 3kwn n GLN 100 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3kwn n TYR 101 N -1.00 2.74 -3.74 1.08 9.36 -1.26 -4.99 117.16 119.34 3kwn n TYR 101 Ca 0.28 0.20 -0.27 0.00 3.32 0.00 0.00 57.90 61.43 3kwn n TYR 101 Cb 0.80 -2.61 -0.16 0.00 -0.63 0.00 0.00 39.34 36.73 3kwn n TYR 101 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kwn s ASP 102 N 0.70 2.86 0.60 2.98 -1.08 -1.26 -5.03 116.67 116.45 3kwn s ASP 102 Ca 0.68 -0.79 0.30 0.00 -0.52 0.00 0.00 52.55 52.22 3kwn s ASP 102 Cb -0.52 -0.60 1.63 0.00 -1.46 0.00 0.00 42.92 41.97 3kwn s ASP 102 CO 0.43 -0.30 2.02 0.77 0.52 0.00 0.00 175.17 178.61 3kwn h SER 103 N 8.24 0.00 -0.59 -0.34 4.64 -1.99 -1.92 113.55 121.60 3kwn h SER 103 Ca -0.16 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.29 3kwn h SER 103 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3kwn h SER 103 CO 0.33 0.00 0.40 0.50 -0.87 0.00 0.00 176.83 177.20 3kwn h LYS 104 N 0.00 0.22 -0.32 4.77 3.64 -2.02 -2.09 116.57 120.76 3kwn h LYS 104 Ca 0.11 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3kwn h LYS 104 Cb 0.73 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3kwn h LYS 104 CO -0.00 0.14 0.01 0.66 -2.27 0.00 0.00 179.45 178.00 3kwn n TYR 105 N -4.44 1.12 -1.68 1.91 4.02 -0.72 -4.99 117.16 112.38 3kwn n TYR 105 Ca 0.10 -1.05 -0.50 0.00 -0.01 0.00 0.00 57.90 56.45 3kwn n TYR 105 Cb 0.50 -0.39 -0.05 0.00 -0.02 0.00 0.00 39.34 39.38 3kwn n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3kwn n ARG 106 N -0.60 1.94 -0.00 -0.72 0.63 -0.79 -1.85 116.66 115.28 3kwn n ARG 106 Ca 0.26 0.71 0.03 0.00 -0.92 0.00 0.00 57.85 57.92 3kwn n ARG 106 Cb 0.97 -2.51 -0.04 0.00 0.45 0.00 0.00 32.46 31.33 3kwn n ARG 106 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kwn n ALA 107 N 5.97 2.70 -3.56 5.13 0.00 -0.25 -4.82 120.51 125.69 3kwn n ALA 107 Ca 0.23 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 3kwn n ALA 107 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3kwn n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwn s ALA 108 N -1.74 -1.31 0.34 0.00 0.00 -1.11 -4.95 121.76 112.98 3kwn s ALA 108 Ca 0.01 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.04 3kwn s ALA 108 Cb 0.05 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3kwn s ALA 108 CO 0.26 -0.88 0.10 -0.08 0.00 0.00 0.00 175.76 175.16 3kwn s THR 109 N -3.84 0.75 -0.06 0.00 -1.32 -1.26 -1.40 115.64 108.50 3kwn s THR 109 Ca 0.07 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.52 3kwn s THR 109 Cb -0.03 -2.58 0.04 0.00 -1.51 0.00 0.00 72.50 68.42 3kwn s THR 109 CO -0.03 0.00 0.13 0.00 -2.21 0.00 0.00 174.62 172.50 3kwn h SER 111 N 7.79 0.60 -4.83 0.00 0.02 -1.52 -3.36 113.55 112.25 3kwn h SER 111 Ca -0.29 -0.89 -0.08 0.00 -0.84 0.00 0.00 61.79 59.69 3kwn h SER 111 Cb 1.13 -0.19 -0.20 0.00 0.14 0.00 0.00 62.40 63.27 3kwn h SER 111 CO 0.30 1.75 0.04 -0.75 -1.14 0.00 0.00 176.83 177.04 3kwn s LYS 112 N -2.58 0.91 0.06 3.45 2.20 -1.19 -4.99 119.74 117.58 3kwn s LYS 112 Ca -0.15 0.24 -0.00 0.00 -0.36 0.00 0.00 55.97 55.69 3kwn s LYS 112 Cb 0.06 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 3kwn s LYS 112 CO 0.85 -0.26 -0.04 1.52 -0.36 0.00 0.00 175.35 177.07 3kwn s TYR 113 N -0.99 0.57 -0.02 4.03 -0.85 -1.26 -0.50 117.35 118.33 3kwn s TYR 113 Ca -0.10 -0.94 0.02 0.00 -0.52 0.00 0.00 57.07 55.53 3kwn s TYR 113 Cb -0.02 -0.39 0.00 0.00 0.38 0.00 0.00 41.96 41.93 3kwn s TYR 113 CO 0.07 -0.29 -0.07 0.99 -1.52 0.00 0.00 175.55 174.73 3kwn s THR 114 N -3.43 0.58 -0.10 -3.49 2.01 -0.42 -4.99 115.64 105.80 3kwn s THR 114 Ca 0.04 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 3kwn s THR 114 Cb 0.04 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 3kwn s THR 114 CO -0.07 0.19 0.04 -1.61 -0.69 0.00 0.00 174.62 172.48 3kwn s GLU 115 N 0.20 3.19 0.17 4.92 2.02 -1.26 -1.47 118.70 126.47 3kwn s GLU 115 Ca -0.02 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.68 3kwn s GLU 115 Cb -0.07 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 3kwn s GLU 115 CO -0.00 0.69 0.25 -0.51 0.02 0.00 0.00 175.26 175.71 3kwn s LEU 116 N -0.81 4.17 0.35 1.80 1.43 -0.59 -4.99 118.68 120.04 3kwn s LEU 116 Ca 0.13 0.05 -0.28 0.00 -1.03 0.00 0.00 54.13 53.00 3kwn s LEU 116 Cb -0.12 -2.74 -0.11 0.00 0.03 0.00 0.00 46.19 43.26 3kwn s LEU 116 CO 0.03 0.03 1.40 -2.16 0.23 0.00 0.00 176.35 175.88 3kwn s PRO 117 N -3.33 4.23 -0.01 1.29 0.04 -1.26 -4.47 135.00 131.49 3kwn s PRO 117 Ca 0.33 2.39 -0.35 0.00 0.04 0.00 0.00 61.00 63.41 3kwn s PRO 117 Cb -0.10 -3.02 -0.14 0.00 0.04 0.00 0.00 34.50 31.28 3kwn s PRO 117 CO 0.27 -0.36 1.69 0.98 0.04 0.00 0.00 177.00 179.62 3kwn n TYR 118 N 0.68 2.16 -0.84 0.56 4.19 -1.26 -2.70 117.16 119.95 3kwn n TYR 118 Ca 0.01 0.25 0.00 0.00 3.31 0.00 0.00 57.90 61.47 3kwn n TYR 118 Cb 0.40 -2.55 0.00 0.00 0.49 0.00 0.00 39.34 37.68 3kwn n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3kwn n GLY 119 N 3.79 1.20 3.48 2.98 0.00 0.66 -4.93 105.19 112.38 3kwn n GLY 119 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3kwn n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwn s ARG 120 N -0.05 3.57 0.49 1.61 1.81 -1.10 -4.70 118.95 120.59 3kwn s ARG 120 Ca 0.00 -1.53 0.30 0.00 -1.72 0.00 0.00 55.73 52.77 3kwn s ARG 120 Cb 0.00 -5.01 1.00 0.00 -0.45 0.00 0.00 34.95 30.50 3kwn s ARG 120 CO 0.00 -1.90 1.85 0.93 -0.68 0.00 0.00 175.30 175.50 3kwn h GLU 121 N 9.14 0.00 -0.35 3.54 5.08 -1.91 -1.68 114.58 128.41 3kwn h GLU 121 Ca 0.15 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 3kwn h GLU 121 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3kwn h GLU 121 CO 1.20 0.00 -0.32 0.38 -1.00 0.00 0.00 179.01 179.27 3kwn h ASP 122 N 0.00 0.88 0.20 1.42 2.03 -1.99 -2.18 116.42 116.78 3kwn h ASP 122 Ca 0.00 -0.46 -0.18 0.00 -0.73 0.00 0.00 57.03 55.66 3kwn h ASP 122 Cb 0.67 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.92 3kwn h ASP 122 CO 0.00 1.16 -0.71 0.58 -1.03 0.00 0.00 179.24 179.24 3kwn h VAL 123 N 0.61 1.36 -0.26 4.15 2.07 -1.88 -2.06 116.25 120.24 3kwn h VAL 123 Ca 0.06 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.49 3kwn h VAL 123 Cb 0.90 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3kwn h VAL 123 CO 0.08 0.63 0.12 0.25 0.02 0.00 0.00 177.57 178.67 3kwn h LEU 124 N 0.31 0.35 -0.28 2.57 5.85 -1.38 -1.62 115.31 121.11 3kwn h LEU 124 Ca -0.03 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3kwn h LEU 124 Cb 1.28 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 3kwn h LEU 124 CO 0.12 0.40 -0.09 0.50 -0.34 0.00 0.00 178.44 179.03 3kwn h LYS 125 N 0.28 -0.03 -0.44 1.25 3.64 -1.29 0.14 116.57 120.12 3kwn h LYS 125 Ca 0.09 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3kwn h LYS 125 Cb 0.15 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3kwn h LYS 125 CO -0.01 -0.02 0.17 1.49 -2.27 0.00 0.00 179.45 178.81 3kwn h GLU 126 N -0.04 0.34 -0.36 1.90 4.81 -1.28 -1.20 114.58 118.75 3kwn h GLU 126 Ca 0.14 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3kwn h GLU 126 Cb 0.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3kwn h GLU 126 CO -0.31 0.22 -0.01 0.00 -0.73 0.00 0.00 179.01 178.18 3kwn h ALA 127 N 1.28 0.48 -0.98 2.92 0.00 -0.84 0.03 119.26 122.15 3kwn h ALA 127 Ca 0.20 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kwn h ALA 127 Cb 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3kwn h ALA 127 CO -0.19 0.26 0.64 0.28 0.00 0.00 0.00 179.25 180.24 3kwn h VAL 128 N 0.45 1.22 -0.22 0.00 2.07 -0.56 0.44 116.25 119.64 3kwn h VAL 128 Ca 0.10 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 3kwn h VAL 128 Cb 0.48 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3kwn h VAL 128 CO 0.02 0.23 -0.33 0.00 0.02 0.00 0.00 177.57 177.52 3kwn h ALA 129 N 1.38 0.34 0.00 1.67 0.00 -1.04 -3.25 119.26 118.35 3kwn h ALA 129 Ca 0.37 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3kwn h ALA 129 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3kwn h ALA 129 CO -0.10 0.38 -1.90 0.09 0.00 0.00 0.00 179.25 177.73 3kwn n ASN 130 N -4.29 0.34 -0.07 0.00 3.02 -0.02 -4.63 115.26 109.60 3kwn n ASN 130 Ca -0.05 0.15 -0.10 0.00 -0.03 0.00 0.00 54.58 54.55 3kwn n ASN 130 Cb 0.49 0.95 -0.08 0.00 -0.61 0.00 0.00 39.78 40.53 3kwn n ASN 130 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kwn n LYS 131 N -2.67 0.68 0.00 3.52 4.01 0.15 -5.05 118.16 118.81 3kwn n LYS 131 Ca -0.16 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 3kwn n LYS 131 Cb 0.87 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 34.08 3kwn n LYS 131 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kwn n GLY 132 N 2.67 0.56 3.64 0.72 0.00 -1.10 -4.96 105.19 106.73 3kwn n GLY 132 Ca -0.26 -2.18 -0.45 0.00 0.00 0.00 0.00 46.02 43.14 3kwn n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kwn n PRO 133 N -0.23 1.75 -4.84 1.61 -0.02 -1.26 -4.14 135.00 127.88 3kwn n PRO 133 Ca 0.00 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 3kwn n PRO 133 Cb 0.00 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 3kwn n PRO 133 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kwn s VAL 134 N -0.56 2.71 0.20 -1.45 1.01 -0.66 -4.77 120.40 116.88 3kwn s VAL 134 Ca 0.64 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3kwn s VAL 134 Cb -0.68 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 3kwn s VAL 134 CO 0.55 0.53 1.13 -0.44 0.00 0.00 0.00 175.10 176.88 3kwn s SER 135 N 0.44 7.20 0.09 3.32 0.01 0.03 -0.61 113.70 124.20 3kwn s SER 135 Ca -0.12 2.17 -0.07 0.00 1.31 0.00 0.00 55.95 59.24 3kwn s SER 135 Cb -0.16 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 3kwn s SER 135 CO 0.05 -0.26 0.16 0.68 0.41 0.00 0.00 173.24 174.29 3kwn s VAL 136 N -0.35 0.15 -0.03 3.43 -7.23 -0.49 -1.22 120.40 114.66 3kwn s VAL 136 Ca 0.50 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 3kwn s VAL 136 Cb -0.31 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3kwn s VAL 136 CO 0.37 -0.66 0.15 -0.83 -0.31 0.00 0.00 175.10 173.81 3kwn s GLY 137 N -2.89 2.13 0.12 2.32 0.00 -1.25 0.08 107.32 107.84 3kwn s GLY 137 Ca 0.07 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.08 3kwn s GLY 137 CO -0.09 -0.61 -0.12 -1.34 0.00 0.00 0.00 173.10 170.94 3kwn s VAL 138 N -1.22 1.17 -0.59 1.40 -7.23 0.02 -3.99 120.40 109.96 3kwn s VAL 138 Ca 0.23 -1.73 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 3kwn s VAL 138 Cb -0.12 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.33 3kwn s VAL 138 CO 0.14 -0.51 1.39 -0.62 -0.31 0.00 0.00 175.10 175.19 3kwn s ASP 139 N -2.54 6.13 -0.10 4.85 2.15 0.99 -1.66 116.67 126.49 3kwn s ASP 139 Ca 0.09 0.18 0.14 0.00 0.43 0.00 0.00 52.55 53.39 3kwn s ASP 139 Cb -0.03 -2.55 0.46 0.00 -0.30 0.00 0.00 42.92 40.50 3kwn s ASP 139 CO 0.02 -1.73 1.38 0.00 -0.17 0.00 0.00 175.17 174.67 3kwn n ALA 140 N 9.56 2.69 -1.81 3.66 0.00 -1.26 -4.81 120.51 128.53 3kwn n ALA 140 Ca 0.11 -1.77 -0.38 0.00 0.00 0.00 0.00 53.44 51.40 3kwn n ALA 140 Cb 0.49 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 3kwn n ALA 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kwn n ARG 141 N 0.06 4.14 -3.75 0.00 1.74 -1.26 -4.75 116.66 112.84 3kwn n ARG 141 Ca 0.18 -3.08 -0.13 0.00 -0.77 0.00 0.00 57.85 54.05 3kwn n ARG 141 Cb 0.71 -2.58 -0.11 0.00 -1.02 0.00 0.00 32.46 29.46 3kwn n ARG 141 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3kwn s HIS 142 N -0.70 -0.38 0.34 -1.55 3.76 -1.26 -5.04 115.29 110.45 3kwn s HIS 142 Ca 0.57 0.92 0.12 0.00 -0.15 0.00 0.00 55.06 56.53 3kwn s HIS 142 Cb 0.21 0.13 0.98 0.00 1.11 0.00 0.00 32.58 35.02 3kwn s HIS 142 CO -0.10 -0.20 1.71 -1.35 -0.85 0.00 0.00 174.74 173.95 3kwn h PRO 143 N 5.89 0.46 -0.88 8.40 0.11 -2.00 -1.01 132.00 142.96 3kwn h PRO 143 Ca -0.28 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.88 3kwn h PRO 143 Cb 1.18 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 3kwn h PRO 143 CO 0.30 0.31 0.57 0.66 -0.21 0.00 0.00 178.00 179.63 3kwn h SER 144 N 0.48 0.83 0.49 -2.05 4.64 -1.96 0.15 113.55 116.13 3kwn h SER 144 Ca 0.67 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.98 3kwn h SER 144 Cb 1.42 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kwn h SER 144 CO -0.49 0.51 -0.24 0.15 -0.87 0.00 0.00 176.83 175.89 3kwn h PHE 145 N 0.93 -0.61 -0.87 4.77 3.57 -1.50 0.34 116.94 123.56 3kwn h PHE 145 Ca 0.40 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.99 3kwn h PHE 145 Cb 0.32 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 3kwn h PHE 145 CO -0.00 -0.31 0.51 0.74 -2.23 0.00 0.00 178.31 177.02 3kwn h PHE 146 N -0.85 0.92 -0.00 0.41 -1.00 -1.46 -1.90 116.94 113.05 3kwn h PHE 146 Ca -0.07 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.74 3kwn h PHE 146 Cb 0.58 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.87 3kwn h PHE 146 CO -0.00 0.35 -0.04 1.28 -1.61 0.00 0.00 178.31 178.28 3kwn n LEU 147 N -4.73 0.45 -4.70 1.54 4.32 0.49 -4.93 117.00 109.44 3kwn n LEU 147 Ca 0.15 -0.06 -0.43 0.00 -0.02 0.00 0.00 56.01 55.65 3kwn n LEU 147 Cb 0.32 -0.09 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 3kwn n LEU 147 CO 0.26 0.08 1.36 0.00 -1.22 0.00 0.00 177.39 177.87 3kwn n TYR 148 N -0.79 2.59 -0.03 -1.77 4.19 0.10 -4.91 117.16 116.53 3kwn n TYR 148 Ca 0.19 0.04 -0.08 0.00 3.31 0.00 0.00 57.90 61.36 3kwn n TYR 148 Cb 0.23 -2.66 -0.03 0.00 0.49 0.00 0.00 39.34 37.37 3kwn n TYR 148 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3kwn n ARG 149 N 4.41 0.17 -3.70 2.98 5.12 -1.26 -2.44 116.66 121.94 3kwn n ARG 149 Ca 0.17 0.07 -0.09 0.00 -1.93 0.00 0.00 57.85 56.07 3kwn n ARG 149 Cb 0.34 -0.79 -0.02 0.00 -1.16 0.00 0.00 32.46 30.82 3kwn n ARG 149 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kwn s SER 150 N -5.79 -0.35 0.00 0.55 1.04 -1.26 -2.93 113.70 104.96 3kwn s SER 150 Ca -0.11 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3kwn s SER 150 Cb 0.04 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3kwn s SER 150 CO 0.14 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3kwn n GLY 151 N -0.41 -2.69 3.60 7.32 0.00 -1.26 -4.86 105.19 106.89 3kwn n GLY 151 Ca -0.09 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 3kwn n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwn s VAL 152 N -0.57 4.94 -0.10 1.61 1.01 -1.26 -4.15 120.40 121.88 3kwn s VAL 152 Ca 0.00 0.88 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 3kwn s VAL 152 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3kwn s VAL 152 CO 0.00 -0.12 0.92 -0.47 0.00 0.00 0.00 175.10 175.43 3kwn s TYR 153 N 2.59 3.52 -0.10 5.22 5.04 0.10 -4.85 117.35 128.87 3kwn s TYR 153 Ca 0.25 1.48 -0.03 0.00 -2.44 0.00 0.00 57.07 56.33 3kwn s TYR 153 Cb -0.15 -3.09 0.04 0.00 0.35 0.00 0.00 41.96 39.12 3kwn s TYR 153 CO 0.11 -0.16 0.06 -0.47 -1.34 0.00 0.00 175.55 173.75 3kwn s TYR 154 N 1.77 0.31 -0.35 4.97 5.04 -1.26 -2.01 117.35 125.82 3kwn s TYR 154 Ca 0.45 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.99 3kwn s TYR 154 Cb -0.18 -0.66 0.10 0.00 0.35 0.00 0.00 41.96 41.57 3kwn s TYR 154 CO 0.18 -0.35 0.08 -2.00 -1.34 0.00 0.00 175.55 172.11 3kwn s GLU 155 N 2.09 1.68 0.30 4.97 2.56 -1.26 -5.00 118.70 124.04 3kwn s GLU 155 Ca 0.03 -1.81 0.05 0.00 0.00 0.00 0.00 54.97 53.24 3kwn s GLU 155 Cb -0.14 -3.28 0.78 0.00 2.00 0.00 0.00 34.13 33.49 3kwn s GLU 155 CO -0.06 -0.94 1.66 -1.35 -0.56 0.00 0.00 175.26 174.01 3kwn h PRO 156 N 7.74 0.27 0.00 4.30 0.11 -2.04 0.11 132.00 142.48 3kwn h PRO 156 Ca -0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3kwn h PRO 156 Cb 1.03 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3kwn h PRO 156 CO 0.56 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 3kwn n SER 157 N -5.15 0.00 -4.76 -2.05 3.41 -1.26 -4.89 113.62 98.92 3kwn n SER 157 Ca 0.23 -1.38 -0.38 0.00 -0.26 0.00 0.00 58.87 57.09 3kwn n SER 157 Cb 0.73 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.69 3kwn n SER 157 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwn s THR 159 N -1.46 2.13 -2.02 0.00 -4.23 -1.26 -4.70 115.64 104.11 3kwn s THR 159 Ca 0.66 -1.77 0.28 0.00 -1.18 0.00 0.00 61.69 59.68 3kwn s THR 159 Cb -0.33 -2.90 0.50 0.00 1.34 0.00 0.00 72.50 71.11 3kwn s THR 159 CO 0.39 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.27 3kwn n GLN 160 N -1.21 1.10 -2.83 3.99 6.02 -1.26 -2.82 117.38 120.38 3kwn n GLN 160 Ca -0.03 -0.52 -0.41 0.00 -0.01 0.00 0.00 57.00 56.02 3kwn n GLN 160 Cb 0.65 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.39 3kwn n GLN 160 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3kwn s ASN 161 N -2.26 7.17 0.09 1.08 -0.87 -1.26 -4.38 114.94 114.51 3kwn s ASN 161 Ca 0.33 1.42 0.01 0.00 -1.57 0.00 0.00 52.86 53.06 3kwn s ASN 161 Cb 0.20 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.89 3kwn s ASN 161 CO 0.42 -0.28 0.21 0.68 -2.57 0.00 0.00 177.10 175.56 3kwn s VAL 162 N 1.34 5.23 0.00 1.60 -7.23 -1.26 -3.95 120.40 116.12 3kwn s VAL 162 Ca 0.45 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 3kwn s VAL 162 Cb -0.19 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.16 3kwn s VAL 162 CO 0.21 0.07 0.06 -0.46 -0.31 0.00 0.00 175.10 174.67 3kwn n ASN 163 N 0.07 0.00 -3.70 4.85 0.23 -0.66 -4.90 115.26 111.15 3kwn n ASN 163 Ca -0.06 -1.00 -0.16 0.00 -0.53 0.00 0.00 54.58 52.83 3kwn n ASN 163 Cb 0.52 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.07 3kwn n ASN 163 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3kwn s HIS 164 N 0.00 -0.15 0.03 -2.53 5.04 -0.70 -4.89 115.29 112.09 3kwn s HIS 164 Ca 0.00 0.52 -0.30 0.00 -1.54 0.00 0.00 55.06 53.73 3kwn s HIS 164 Cb 0.00 -0.21 -0.04 0.00 0.04 0.00 0.00 32.58 32.37 3kwn s HIS 164 CO 0.00 -0.22 1.07 0.20 -2.34 0.00 0.00 174.74 173.45 3kwn s GLY 165 N 1.82 2.71 0.30 1.59 0.00 -1.26 -0.80 107.32 111.68 3kwn s GLY 165 Ca -0.02 0.67 0.06 0.00 0.00 0.00 0.00 44.72 45.43 3kwn s GLY 165 CO -0.05 1.82 0.22 3.33 0.00 0.00 0.00 173.10 178.42 3kwn n VAL 166 N 3.85 0.00 -3.92 1.40 0.24 0.11 -4.47 118.33 115.54 3kwn n VAL 166 Ca 0.07 -2.09 -0.27 0.00 -2.04 0.00 0.00 64.34 60.01 3kwn n VAL 166 Cb 0.49 0.98 -0.17 0.00 -1.47 0.00 0.00 33.84 33.67 3kwn n VAL 166 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3kwn s LEU 167 N 0.00 1.28 -0.40 1.34 0.20 -0.93 -1.40 118.68 118.77 3kwn s LEU 167 Ca 0.31 -0.34 -0.28 0.00 0.69 0.00 0.00 54.13 54.51 3kwn s LEU 167 Cb 0.01 -0.90 0.02 0.00 -0.43 0.00 0.00 46.19 44.90 3kwn s LEU 167 CO 0.22 -0.11 1.03 -0.69 -0.29 0.00 0.00 176.35 176.51 3kwn s VAL 168 N 1.67 4.44 -2.19 1.68 1.01 0.22 -0.07 120.40 127.16 3kwn s VAL 168 Ca 0.05 1.31 0.18 0.00 0.00 0.00 0.00 61.98 63.52 3kwn s VAL 168 Cb -0.13 -4.45 0.14 0.00 0.00 0.00 0.00 36.38 31.95 3kwn s VAL 168 CO -0.09 -0.70 1.06 1.33 0.00 0.00 0.00 175.10 176.71 3kwn n VAL 169 N 6.26 0.01 -3.35 2.92 0.24 -0.40 -1.66 118.33 122.36 3kwn n VAL 169 Ca 0.10 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3kwn n VAL 169 Cb 0.48 1.36 0.00 0.00 -1.47 0.00 0.00 33.84 34.21 3kwn n VAL 169 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwn n GLY 170 N 0.99 -0.69 3.80 7.63 0.00 -1.18 -0.77 105.19 114.97 3kwn n GLY 170 Ca 0.10 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.25 3kwn n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwn s TYR 171 N -3.00 -0.21 -0.08 1.61 -0.85 -0.11 -1.34 117.35 113.37 3kwn s TYR 171 Ca 0.00 -0.19 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 3kwn s TYR 171 Cb 0.00 0.68 0.00 0.00 0.38 0.00 0.00 41.96 43.02 3kwn s TYR 171 CO 0.00 -1.12 0.00 0.41 -1.52 0.00 0.00 175.55 173.32 3kwn n GLY 172 N -0.45 -0.88 2.82 5.49 0.00 -0.93 -1.15 105.19 110.09 3kwn n GLY 172 Ca -0.06 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 3kwn n GLY 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kwn s ASP 173 N -4.00 0.03 -0.26 1.61 3.68 -1.26 -1.72 116.67 114.74 3kwn s ASP 173 Ca 0.00 0.05 0.02 0.00 2.13 0.00 0.00 52.55 54.75 3kwn s ASP 173 Cb 0.00 -0.02 0.07 0.00 -1.45 0.00 0.00 42.92 41.52 3kwn s ASP 173 CO 0.00 -0.09 -0.06 -0.22 0.13 0.00 0.00 175.17 174.94 3kwn s LEU 174 N 0.70 3.11 -1.48 -1.34 0.20 -0.77 -4.83 118.68 114.27 3kwn s LEU 174 Ca -0.06 -1.38 -0.10 0.00 0.69 0.00 0.00 54.13 53.28 3kwn s LEU 174 Cb -0.08 -1.35 0.06 0.00 -0.43 0.00 0.00 46.19 44.39 3kwn s LEU 174 CO -0.02 -0.24 0.91 0.59 -0.29 0.00 0.00 176.35 177.29 3kwn n ASN 175 N 4.54 -3.85 0.00 3.68 5.03 -1.26 -1.79 115.26 121.62 3kwn n ASN 175 Ca -0.11 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.55 3kwn n ASN 175 Cb 0.43 -3.91 0.00 0.00 -1.02 0.00 0.00 39.78 35.28 3kwn n ASN 175 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kwn n GLY 176 N -1.68 0.82 3.45 7.41 0.00 -1.26 -5.03 105.19 108.90 3kwn n GLY 176 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 3kwn n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwn s LYS 177 N -0.72 3.06 0.27 1.61 -0.14 -0.74 -5.06 119.74 118.02 3kwn s LYS 177 Ca 0.00 -0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 53.34 3kwn s LYS 177 Cb 0.00 -4.05 -0.09 0.00 -1.68 0.00 0.00 37.83 32.01 3kwn s LYS 177 CO 0.00 -0.98 1.01 -1.21 -0.76 0.00 0.00 175.35 173.41 3kwn s GLU 178 N 2.08 4.73 0.08 1.68 2.02 -1.26 -1.85 118.70 126.19 3kwn s GLU 178 Ca 0.10 1.62 -0.06 0.00 0.02 0.00 0.00 54.97 56.64 3kwn s GLU 178 Cb -0.20 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 3kwn s GLU 178 CO 0.11 0.36 0.13 1.52 0.02 0.00 0.00 175.26 177.40 3kwn s TYR 179 N -1.21 0.30 -0.15 1.61 -0.85 -0.70 -1.48 117.35 114.87 3kwn s TYR 179 Ca 0.43 -0.76 -0.06 0.00 -0.52 0.00 0.00 57.07 56.16 3kwn s TYR 179 Cb -0.28 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 3kwn s TYR 179 CO 0.35 -0.51 0.08 -1.58 -1.52 0.00 0.00 175.55 172.37 3kwn s TRP 180 N -3.89 3.34 -0.46 -3.49 0.52 0.23 -2.19 118.94 113.00 3kwn s TRP 180 Ca 0.07 0.24 -0.26 0.00 0.02 0.00 0.00 56.10 56.17 3kwn s TRP 180 Cb 0.06 -1.99 0.03 0.00 -1.15 0.00 0.00 33.47 30.41 3kwn s TRP 180 CO -0.09 0.39 0.97 -1.17 0.02 0.00 0.00 176.95 177.06 3kwn s LEU 181 N -0.26 3.93 -0.19 2.99 2.96 -0.45 -0.85 118.68 126.81 3kwn s LEU 181 Ca 0.09 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3kwn s LEU 181 Cb -0.12 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.30 3kwn s LEU 181 CO 0.01 -1.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.13 3kwn s VAL 182 N 3.89 2.59 -0.26 1.68 1.01 -0.18 -1.27 120.40 127.87 3kwn s VAL 182 Ca 0.39 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 3kwn s VAL 182 Cb -0.10 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3kwn s VAL 182 CO 0.27 0.50 1.01 -0.75 0.00 0.00 0.00 175.10 176.13 3kwn s LYS 183 N 1.28 4.18 0.66 2.72 2.20 0.90 -0.88 119.74 130.80 3kwn s LYS 183 Ca 0.04 1.19 0.03 0.00 -0.36 0.00 0.00 55.97 56.87 3kwn s LYS 183 Cb -0.14 -3.67 0.11 0.00 -1.51 0.00 0.00 37.83 32.62 3kwn s LYS 183 CO -0.08 -0.69 0.91 1.21 -0.36 0.00 0.00 175.35 176.34 3kwn s ASN 184 N 1.36 4.66 -0.39 1.43 3.04 -0.87 -2.20 114.94 121.98 3kwn s ASN 184 Ca 0.43 -0.52 0.08 0.00 0.04 0.00 0.00 52.86 52.89 3kwn s ASN 184 Cb -0.14 0.05 0.44 0.00 -1.54 0.00 0.00 41.25 40.05 3kwn s ASN 184 CO 0.09 -1.64 1.10 -1.54 -3.04 0.00 0.00 177.10 172.07 3kwn n SER 185 N -2.59 4.03 -1.65 -4.21 3.41 -1.26 -4.49 113.62 106.85 3kwn n SER 185 Ca 0.15 -3.47 -0.10 0.00 -0.26 0.00 0.00 58.87 55.19 3kwn n SER 185 Cb 0.61 -0.45 0.08 0.00 -0.26 0.00 0.00 64.21 64.19 3kwn n SER 185 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 3kwn n TRP 186 N -0.45 1.50 -4.39 7.33 -0.00 -1.05 -0.75 117.44 119.63 3kwn n TRP 186 Ca 0.33 -1.85 0.00 0.00 -0.00 0.00 0.00 57.50 55.98 3kwn n TRP 186 Cb 0.75 -0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 3kwn n TRP 186 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3kwn n GLY 187 N -0.72 -1.62 0.17 5.87 0.00 -0.19 -3.76 105.19 104.93 3kwn n GLY 187 Ca 0.29 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 45.09 3kwn n GLY 187 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3kwn h HIS 188 N 0.00 0.00 -0.01 1.61 3.86 -1.88 -3.28 115.15 115.45 3kwn h HIS 188 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kwn h HIS 188 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3kwn h HIS 188 CO 0.00 0.45 -0.01 0.09 0.86 0.00 0.00 177.93 179.32 3kwn n ASN 189 N -3.39 1.48 -4.74 2.45 5.03 -1.26 -2.88 115.26 111.95 3kwn n ASN 189 Ca 0.01 -1.48 -0.40 0.00 0.87 0.00 0.00 54.58 53.57 3kwn n ASN 189 Cb 0.61 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.33 3kwn n ASN 189 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3kwn s PHE 190 N -2.01 3.74 0.00 3.10 2.19 -1.25 -4.94 117.98 118.82 3kwn s PHE 190 Ca 0.38 1.53 0.00 0.00 0.33 0.00 0.00 56.93 59.17 3kwn s PHE 190 Cb 0.21 -2.87 0.00 0.00 -1.31 0.00 0.00 43.02 39.05 3kwn s PHE 190 CO 0.34 0.25 0.00 0.41 1.83 0.00 0.00 175.22 178.05 3kwn n GLY 191 N 2.40 2.60 3.39 13.12 0.00 -1.02 -0.20 105.19 125.47 3kwn n GLY 191 Ca -0.01 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 3kwn n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kwn s GLU 192 N 0.00 3.95 -1.39 1.61 2.02 0.29 -4.49 118.70 120.68 3kwn s GLU 192 Ca 0.00 -2.65 -0.07 0.00 0.02 0.00 0.00 54.97 52.26 3kwn s GLU 192 Cb 0.00 -4.72 0.04 0.00 0.10 0.00 0.00 34.13 29.54 3kwn s GLU 192 CO 0.00 -1.48 0.96 0.39 0.02 0.00 0.00 175.26 175.15 3kwn n GLU 193 N 4.38 -6.06 -0.22 1.61 -0.58 -1.24 -2.38 120.64 116.17 3kwn n GLU 193 Ca 0.25 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 3kwn n GLU 193 Cb 0.43 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.76 3kwn n GLU 193 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kwn n GLY 194 N -1.67 0.82 3.62 0.62 0.00 0.72 -4.77 105.19 104.54 3kwn n GLY 194 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 3kwn n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwn s TYR 195 N -2.57 2.75 -0.06 1.61 1.51 -1.00 -2.05 117.35 117.54 3kwn s TYR 195 Ca 0.00 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 3kwn s TYR 195 Cb 0.00 -1.35 0.02 0.00 -0.11 0.00 0.00 41.96 40.52 3kwn s TYR 195 CO 0.00 0.51 -0.09 -1.50 -1.11 0.00 0.00 175.55 173.35 3kwn s ILE 196 N -1.66 0.94 -0.32 2.71 2.07 -0.06 -0.55 121.20 124.34 3kwn s ILE 196 Ca 0.26 -0.35 -0.19 0.00 -1.41 0.00 0.00 60.65 58.96 3kwn s ILE 196 Cb -0.09 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.59 3kwn s ILE 196 CO 0.17 0.32 0.56 -0.13 -1.91 0.00 0.00 174.94 173.94 3kwn s ARG 197 N 0.83 3.80 -0.08 3.50 0.52 -1.26 -1.01 118.95 125.26 3kwn s ARG 197 Ca -0.12 0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 3kwn s ARG 197 Cb -0.15 -3.75 -0.02 0.00 0.52 0.00 0.00 34.95 31.55 3kwn s ARG 197 CO 0.02 -0.57 -0.16 -1.64 0.02 0.00 0.00 175.30 172.96 3kwn s MET 198 N 2.47 2.77 -0.04 3.54 -1.94 -0.03 0.01 119.30 126.09 3kwn s MET 198 Ca 0.22 -0.74 -0.40 0.00 -1.71 0.00 0.00 55.69 53.06 3kwn s MET 198 Cb -0.15 -2.41 -0.19 0.00 2.01 0.00 0.00 34.83 34.09 3kwn s MET 198 CO 0.12 0.45 1.20 0.00 -0.01 0.00 0.00 175.02 176.78 3kwn n ALA 199 N 2.81 -2.76 -2.48 3.03 0.00 -0.85 0.76 120.51 121.02 3kwn n ALA 199 Ca -0.17 0.57 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 3kwn n ALA 199 Cb 0.52 -1.86 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 3kwn n ALA 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kwn s ARG 200 N 0.49 2.34 -1.26 0.00 3.52 -0.55 -4.58 118.95 118.91 3kwn s ARG 200 Ca 0.91 -0.81 -0.07 0.00 -0.13 0.00 0.00 55.73 55.63 3kwn s ARG 200 Cb -1.22 -2.31 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3kwn s ARG 200 CO 0.57 0.59 0.95 0.09 -0.81 0.00 0.00 175.30 176.69 3kwn n ASN 201 N 1.95 -5.89 -2.56 -2.12 3.02 -1.26 -4.59 115.26 103.81 3kwn n ASN 201 Ca -0.16 -0.43 -0.21 0.00 -0.03 0.00 0.00 54.58 53.74 3kwn n ASN 201 Cb 0.52 -4.55 0.01 0.00 -0.61 0.00 0.00 39.78 35.15 3kwn n ASN 201 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kwn n LYS 202 N -4.35 2.62 -2.33 3.52 4.76 -1.26 -4.94 118.16 116.17 3kwn n LYS 202 Ca -0.02 -4.08 -0.05 0.00 -2.87 0.00 0.00 58.31 51.30 3kwn n LYS 202 Cb 0.57 -1.90 0.01 0.00 -1.84 0.00 0.00 35.03 31.86 3kwn n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kwn n GLY 203 N -0.32 0.36 3.35 0.72 0.00 -1.26 -3.44 105.19 104.61 3kwn n GLY 203 Ca 0.28 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 3kwn n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kwn n ASN 204 N 0.93 -4.41 -4.70 1.61 5.15 -1.26 -4.89 115.26 107.68 3kwn n ASN 204 Ca -0.03 -0.68 -0.42 0.00 -0.60 0.00 0.00 54.58 52.85 3kwn n ASN 204 Cb 0.53 -5.11 -0.03 0.00 -0.53 0.00 0.00 39.78 34.64 3kwn n ASN 204 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3kwn s HIS 205 N -3.39 2.67 -1.56 1.20 5.65 -1.22 -1.02 115.29 117.62 3kwn s HIS 205 Ca 0.24 0.41 0.00 0.00 0.25 0.00 0.00 55.06 55.96 3kwn s HIS 205 Cb -0.03 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.39 3kwn s HIS 205 CO 0.74 -3.81 0.00 0.00 -0.65 0.00 0.00 174.74 171.02 3kwn n GLY 207 N -0.01 -0.20 0.37 0.00 0.00 -0.19 -0.00 105.19 105.16 3kwn n GLY 207 Ca -0.15 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.74 3kwn n GLY 207 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kwn h ILE 208 N -0.64 1.05 -0.68 -0.61 6.09 -1.65 -2.13 117.51 118.93 3kwn h ILE 208 Ca -0.37 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 62.76 3kwn h ILE 208 Cb 1.26 -0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.47 3kwn h ILE 208 CO 0.41 0.19 0.00 0.00 -3.07 0.00 0.00 178.15 175.68 3kwn n ALA 209 N -2.39 2.82 -0.01 0.18 0.00 -1.26 -4.50 120.51 115.35 3kwn n ALA 209 Ca 0.15 -1.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.01 3kwn n ALA 209 Cb 0.22 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.61 3kwn n ALA 209 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kwn h SER 210 N 4.16 0.12 -2.15 0.00 0.02 -1.66 0.19 113.55 114.22 3kwn h SER 210 Ca 0.00 -0.23 -0.57 0.00 -0.84 0.00 0.00 61.79 60.15 3kwn h SER 210 Cb 1.27 -0.03 -0.39 0.00 0.14 0.00 0.00 62.40 63.38 3kwn h SER 210 CO 0.14 0.32 -1.01 0.49 -1.14 0.00 0.00 176.83 175.63 3kwn n PHE 211 N -4.90 -0.07 -3.26 3.45 3.72 -1.26 -4.11 117.46 111.03 3kwn n PHE 211 Ca -0.06 -3.57 -0.35 0.00 -0.05 0.00 0.00 57.45 53.42 3kwn n PHE 211 Cb 0.15 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.42 3kwn n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3kwn s PRO 212 N -0.96 4.05 -0.04 -1.08 0.05 -1.26 -3.79 135.00 131.97 3kwn s PRO 212 Ca 0.35 0.61 -0.24 0.00 0.05 0.00 0.00 61.00 61.76 3kwn s PRO 212 Cb 0.13 -2.85 0.05 0.00 0.05 0.00 0.00 34.50 31.87 3kwn s PRO 212 CO -0.13 0.41 0.52 -1.54 0.05 0.00 0.00 177.00 176.32 3kwn s SER 213 N -1.79 -0.46 -0.00 6.66 1.04 -0.35 -1.54 113.70 117.25 3kwn s SER 213 Ca 0.41 0.47 0.01 0.00 0.48 0.00 0.00 55.95 57.33 3kwn s SER 213 Cb -0.15 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 3kwn s SER 213 CO 0.20 -0.52 -0.04 -0.72 0.98 0.00 0.00 173.24 173.14 3kwn s TYR 214 N -1.18 0.33 0.56 5.02 1.13 -0.54 -0.79 117.35 121.88 3kwn s TYR 214 Ca -0.12 -0.09 -0.01 0.00 -1.41 0.00 0.00 57.07 55.45 3kwn s TYR 214 Cb -0.02 -0.21 0.03 0.00 -1.10 0.00 0.00 41.96 40.65 3kwn s TYR 214 CO 0.07 -0.01 0.81 -1.25 -2.51 0.00 0.00 175.55 172.66 3kwn s PRO 215 N -0.17 2.62 0.05 -3.49 0.04 -1.26 -1.30 135.00 131.49 3kwn s PRO 215 Ca 0.01 -0.55 0.02 0.00 0.04 0.00 0.00 61.00 60.51 3kwn s PRO 215 Cb -0.02 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3kwn s PRO 215 CO -0.00 -0.72 -0.07 -1.21 0.04 0.00 0.00 177.00 175.04 3kwn s GLU 216 N -4.83 0.59 -0.31 4.56 2.02 0.35 -4.93 118.70 116.16 3kwn s GLU 216 Ca 0.56 -0.91 0.03 0.00 0.02 0.00 0.00 54.97 54.67 3kwn s GLU 216 Cb -0.10 -0.23 0.08 0.00 0.10 0.00 0.00 34.13 33.98 3kwn s GLU 216 CO 0.40 0.02 -0.01 0.42 0.02 0.00 0.00 175.26 176.11 3kwn s ILE 217 N -2.02 2.33 0.56 -1.63 1.01 -1.26 -1.15 121.20 119.04 3kwn s ILE 217 Ca -0.04 -1.97 -0.15 0.00 0.00 0.00 0.00 60.65 58.48 3kwn s ILE 217 Cb -0.06 -2.55 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 3kwn s ILE 217 CO -0.01 -0.33 1.01 -1.48 0.00 0.00 0.00 174.94 174.13 3kwn s LEU 218 N 1.02 3.49 0.00 2.97 0.05 -1.26 -4.97 118.68 119.98 3kwn s LEU 218 Ca 0.01 1.60 0.02 0.00 0.05 0.00 0.00 54.13 55.81 3kwn s LEU 218 Cb -0.20 -4.51 0.10 0.00 -2.05 0.00 0.00 46.19 39.54 3kwn s LEU 218 CO -0.06 -0.82 0.59 0.00 -0.55 0.00 0.00 176.35 175.51