#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkp s PHE 34 N 0.00 -0.32 -1.46 2.61 5.36 0.09 -4.88 117.98 119.38 1xkp s PHE 34 Ca 0.00 0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 56.72 1xkp s PHE 34 Cb 0.00 -0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.57 1xkp s PHE 34 CO 0.00 -0.34 0.51 0.54 -1.46 0.00 0.00 175.22 174.46 1xkp n ARG 35 N 5.34 -3.40 -0.63 10.12 1.74 -1.26 -1.25 116.66 127.32 1xkp n ARG 35 Ca -0.05 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1xkp n ARG 35 Cb 0.50 -4.67 0.00 0.00 -1.02 0.00 0.00 32.46 27.26 1xkp n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xkp n GLY 36 N -1.87 1.60 3.73 -0.13 0.00 -1.26 -5.01 105.19 102.24 1xkp n GLY 36 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1xkp n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xkp s GLU 37 N -0.05 4.23 0.42 1.61 2.12 -0.38 -5.07 118.70 121.57 1xkp s GLU 37 Ca 0.00 -0.01 -0.25 0.00 0.36 0.00 0.00 54.97 55.08 1xkp s GLU 37 Cb 0.00 -3.42 -0.08 0.00 0.26 0.00 0.00 34.13 30.89 1xkp s GLU 37 CO 0.00 0.26 1.23 -1.12 -0.54 0.00 0.00 175.26 175.09 1xkp s SER 38 N 0.43 6.32 -0.07 -1.70 0.01 -1.26 -0.73 113.70 116.70 1xkp s SER 38 Ca 0.14 2.47 -0.04 0.00 1.31 0.00 0.00 55.95 59.83 1xkp s SER 38 Cb -0.12 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.52 1xkp s SER 38 CO 0.02 -0.82 0.17 -0.69 0.41 0.00 0.00 173.24 172.33 1xkp s VAL 39 N -1.37 -0.03 -0.02 3.43 1.01 -1.26 -4.85 120.40 117.30 1xkp s VAL 39 Ca 0.59 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 1xkp s VAL 39 Cb -0.34 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1xkp s VAL 39 CO 0.42 0.05 0.35 -1.58 0.00 0.00 0.00 175.10 174.33 1xkp s GLN 40 N 0.85 0.69 0.55 2.72 2.00 -1.26 -4.21 119.66 121.00 1xkp s GLN 40 Ca -0.06 -0.11 -0.21 0.00 -2.00 0.00 0.00 55.36 52.98 1xkp s GLN 40 Cb -0.08 0.31 -0.05 0.00 0.80 0.00 0.00 33.01 33.99 1xkp s GLN 40 CO -0.05 -0.19 1.24 -1.50 -0.50 0.00 0.00 175.29 174.30 1xkp s ILE 41 N -1.23 2.57 -0.06 -2.34 2.07 -1.26 -5.07 121.20 115.89 1xkp s ILE 41 Ca -0.13 0.39 0.04 0.00 -1.41 0.00 0.00 60.65 59.55 1xkp s ILE 41 Cb -0.05 -3.18 -0.00 0.00 0.13 0.00 0.00 42.46 39.36 1xkp s ILE 41 CO 0.05 -0.04 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.16 1xkp s VAL 42 N -1.49 1.54 0.41 4.00 1.01 -1.26 -5.15 120.40 119.46 1xkp s VAL 42 Ca 0.73 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1xkp s VAL 42 Cb -0.33 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1xkp s VAL 42 CO 0.38 0.44 0.25 -1.20 0.00 0.00 0.00 175.10 174.97 1xkp n SER 43 N 3.30 2.47 0.00 3.32 7.64 -1.26 -5.08 113.62 124.01 1xkp n SER 43 Ca -0.19 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1xkp n SER 43 Cb 0.53 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1xkp n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xkp n GLY 44 N 0.05 -1.64 3.65 0.23 0.00 -1.26 -4.86 105.19 101.35 1xkp n GLY 44 Ca -0.04 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 1xkp n GLY 44 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xkp s THR 45 N -0.76 3.15 0.29 2.61 -1.32 -1.26 -4.98 115.64 113.37 1xkp s THR 45 Ca 0.00 0.18 0.12 0.00 -1.21 0.00 0.00 61.69 60.77 1xkp s THR 45 Cb 0.00 -3.13 -0.05 0.00 -1.51 0.00 0.00 72.50 67.81 1xkp s THR 45 CO 0.00 -0.03 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.44 1xkp s LEU 46 N 5.15 2.63 0.02 9.08 1.43 -1.26 -5.14 118.68 130.59 1xkp s LEU 46 Ca 0.87 -1.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1xkp s LEU 46 Cb -0.38 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1xkp s LEU 46 CO 0.38 0.01 -0.18 -1.58 0.23 0.00 0.00 176.35 175.20 1xkp s GLN 47 N -3.53 1.34 0.32 1.70 2.00 -1.26 -5.12 119.66 115.12 1xkp s GLN 47 Ca 0.30 -0.78 -0.29 0.00 -2.00 0.00 0.00 55.36 52.59 1xkp s GLN 47 Cb -0.04 -1.37 -0.12 0.00 0.80 0.00 0.00 33.01 32.27 1xkp s GLN 47 CO 0.15 0.36 1.43 0.45 -0.50 0.00 0.00 175.29 177.18 1xkp n SER 48 N 2.20 3.25 -0.27 6.67 2.88 -1.26 -4.89 113.62 122.20 1xkp n SER 48 Ca -0.16 1.19 0.07 0.00 -1.33 0.00 0.00 58.87 58.63 1xkp n SER 48 Cb 0.54 -1.53 0.21 0.00 -0.75 0.00 0.00 64.21 62.67 1xkp n SER 48 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1xkp h ILE 49 N 2.92 0.63 -0.36 2.46 2.04 -1.99 -0.84 117.51 122.37 1xkp h ILE 49 Ca -0.47 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1xkp h ILE 49 Cb 1.26 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1xkp h ILE 49 CO 0.69 0.08 -0.02 0.00 0.00 0.00 0.00 178.15 178.91 1xkp h ALA 50 N 1.57 0.49 -0.21 1.87 0.00 -2.00 -2.57 119.26 118.43 1xkp h ALA 50 Ca 0.44 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xkp h ALA 50 Cb 0.69 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xkp h ALA 50 CO -0.42 0.28 -0.04 -0.44 0.00 0.00 0.00 179.25 178.63 1xkp h ASP 51 N 0.46 0.28 0.46 0.00 3.32 -1.77 0.18 116.42 119.36 1xkp h ASP 51 Ca 0.10 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1xkp h ASP 51 Cb 0.49 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1xkp h ASP 51 CO 0.02 0.37 -0.37 0.24 -1.72 0.00 0.00 179.24 177.79 1xkp h MET 52 N 0.30 0.00 0.19 3.56 2.86 -0.96 -1.02 114.93 119.86 1xkp h MET 52 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1xkp h MET 52 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1xkp h MET 52 CO 0.01 0.37 -0.09 0.00 1.06 0.00 0.00 176.91 178.26 1xkp h ALA 53 N 1.63 -0.26 0.00 6.32 0.00 -0.73 -3.22 119.26 123.00 1xkp h ALA 53 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xkp h ALA 53 Cb 0.70 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xkp h ALA 53 CO 0.05 -0.42 -0.01 0.93 0.00 0.00 0.00 179.25 179.81 1xkp h GLU 54 N -0.71 0.00 -0.64 0.00 5.08 -0.90 -1.67 114.58 115.74 1xkp h GLU 54 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xkp h GLU 54 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1xkp h GLU 54 CO 0.04 0.01 0.42 1.49 -1.00 0.00 0.00 179.01 179.97 1xkp h GLU 55 N 0.00 0.85 -0.24 2.33 4.57 -1.19 -3.28 114.58 117.62 1xkp h GLU 55 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1xkp h GLU 55 Cb 0.02 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1xkp h GLU 55 CO 0.00 0.58 0.00 1.33 -1.18 0.00 0.00 179.01 179.74 1xkp n VAL 56 N -4.62 1.27 0.00 0.32 0.24 -0.66 -5.12 118.33 109.76 1xkp n VAL 56 Ca 0.05 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 1xkp n VAL 56 Cb 0.03 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1xkp n VAL 56 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1xkp n THR 57 N 0.03 0.00 -3.40 3.34 -1.04 -0.99 -5.11 114.28 107.10 1xkp n THR 57 Ca 0.11 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.03 1xkp n THR 57 Cb 0.48 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.91 1xkp n THR 57 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1xkp s GLU 65 N 2.00 0.33 0.08 -2.82 2.12 -1.26 -4.89 118.70 114.26 1xkp s GLU 65 Ca 0.00 0.58 -0.31 0.00 0.36 0.00 0.00 54.97 55.60 1xkp s GLU 65 Cb 0.00 -0.42 -0.08 0.00 0.26 0.00 0.00 34.13 33.89 1xkp s GLU 65 CO 0.00 -0.59 1.53 -1.17 -0.54 0.00 0.00 175.26 174.48 1xkp s LEU 66 N 2.54 4.36 0.41 2.70 2.96 -1.26 -5.00 118.68 125.39 1xkp s LEU 66 Ca 0.11 2.39 0.02 0.00 -0.22 0.00 0.00 54.13 56.43 1xkp s LEU 66 Cb -0.15 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1xkp s LEU 66 CO -0.15 -0.79 0.61 -0.55 -1.32 0.00 0.00 176.35 174.15 1xkp s SER 67 N 1.78 5.90 0.35 3.68 0.15 -1.26 -4.99 113.70 119.31 1xkp s SER 67 Ca 0.69 0.18 0.06 0.00 0.70 0.00 0.00 55.95 57.58 1xkp s SER 67 Cb -0.38 -1.50 0.73 0.00 -1.71 0.00 0.00 66.02 63.17 1xkp s SER 67 CO 0.30 -0.60 1.92 -0.07 1.20 0.00 0.00 173.24 175.99 1xkp h LEU 68 N 0.55 0.70 -3.86 3.45 3.38 -2.10 -3.31 115.31 114.12 1xkp h LEU 68 Ca -0.46 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xkp h LEU 68 Cb 1.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xkp h LEU 68 CO 0.56 0.42 0.01 -0.90 0.09 0.00 0.00 178.44 178.62 1xkp n ASP 69 N -4.51 0.83 0.00 -0.43 5.75 -1.26 -4.93 116.55 112.00 1xkp n ASP 69 Ca 0.13 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 1xkp n ASP 69 Cb 0.31 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1xkp n ASP 69 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1xkp n ARG 71 N 1.94 0.00 0.00 0.11 1.74 -1.25 -5.30 116.66 113.90 1xkp n ARG 71 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1xkp n ARG 71 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 1xkp n ARG 71 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1xkp n LEU 73 N 0.00 0.00 -3.86 0.55 0.00 -1.26 -5.20 117.00 107.23 1xkp n LEU 73 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.89 1xkp n LEU 73 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.28 1xkp n LEU 73 CO 0.00 0.00 -0.32 -0.55 0.00 0.00 0.00 177.39 176.52 1xkp s SER 74 N 0.00 -0.03 -0.63 1.96 0.15 -1.26 -5.09 113.70 108.79 1xkp s SER 74 Ca 0.00 0.06 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 1xkp s SER 74 Cb 0.00 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1xkp s SER 74 CO 0.00 -0.02 1.17 -0.62 1.20 0.00 0.00 173.24 174.97 1xkp s ASP 75 N -0.03 6.32 0.42 5.45 -1.08 -1.26 -4.88 116.67 121.60 1xkp s ASP 75 Ca -0.01 -0.20 0.23 0.00 -0.52 0.00 0.00 52.55 52.05 1xkp s ASP 75 Cb -0.01 -2.53 0.48 0.00 -1.46 0.00 0.00 42.92 39.40 1xkp s ASP 75 CO 0.00 -1.56 1.65 0.28 0.52 0.00 0.00 175.17 176.06 1xkp h SER 76 N 9.67 0.00 -0.19 -0.34 0.02 -1.98 -1.24 113.55 119.49 1xkp h SER 76 Ca -0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 1xkp h SER 76 Cb 1.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1xkp h SER 76 CO 1.20 0.15 0.01 -0.61 -1.14 0.00 0.00 176.83 176.45 1xkp h GLN 77 N 0.00 0.33 -0.64 3.45 5.75 -2.00 0.32 115.11 122.32 1xkp h GLN 77 Ca -0.00 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 1xkp h GLN 77 Cb 1.00 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 1xkp h GLN 77 CO 0.02 0.51 0.13 0.00 -2.65 0.00 0.00 178.83 176.84 1xkp h ALA 78 N 0.80 1.02 -0.22 3.38 0.00 -1.94 -2.29 119.26 120.01 1xkp h ALA 78 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1xkp h ALA 78 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xkp h ALA 78 CO 0.01 0.63 -0.05 -0.09 0.00 0.00 0.00 179.25 179.75 1xkp h ARG 79 N 0.97 0.42 -0.68 0.00 9.65 -1.09 -0.22 114.38 123.43 1xkp h ARG 79 Ca 0.20 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 1xkp h ARG 79 Cb 0.38 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 1xkp h ARG 79 CO 0.01 0.66 0.21 0.28 2.80 0.00 0.00 179.97 183.93 1xkp h VAL 80 N 0.15 1.25 -0.67 0.20 2.07 -0.91 -0.55 116.25 117.79 1xkp h VAL 80 Ca 0.06 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1xkp h VAL 80 Cb 0.51 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1xkp h VAL 80 CO 0.02 0.34 0.25 0.28 0.02 0.00 0.00 177.57 178.48 1xkp h SER 81 N 0.99 0.94 -0.28 0.57 0.02 -1.27 -1.28 113.55 113.24 1xkp h SER 81 Ca 0.22 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1xkp h SER 81 Cb 0.30 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1xkp h SER 81 CO -0.01 0.87 0.07 -0.78 -1.14 0.00 0.00 176.83 175.85 1xkp h ASP 82 N 0.96 0.42 -0.39 3.07 3.58 -0.84 -1.28 116.42 121.94 1xkp h ASP 82 Ca 0.22 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1xkp h ASP 82 Cb 0.23 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 1xkp h ASP 82 CO -0.02 0.54 0.16 0.58 -2.88 0.00 0.00 179.24 177.62 1xkp h VAL 83 N 0.29 1.19 -0.76 2.25 2.07 -1.00 -1.96 116.25 118.34 1xkp h VAL 83 Ca 0.09 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1xkp h VAL 83 Cb 0.28 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1xkp h VAL 83 CO -0.00 0.21 0.38 -0.08 0.02 0.00 0.00 177.57 178.11 1xkp h GLU 84 N 0.49 1.07 -0.28 1.57 4.81 -1.13 -0.57 114.58 120.54 1xkp h GLU 84 Ca 0.13 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1xkp h GLU 84 Cb 0.18 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1xkp h GLU 84 CO -0.01 0.82 0.13 1.49 -0.73 0.00 0.00 179.01 180.70 1xkp h GLU 85 N 1.05 0.26 -0.60 1.92 4.81 -1.05 0.59 114.58 121.57 1xkp h GLU 85 Ca 0.26 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1xkp h GLU 85 Cb 0.08 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1xkp h GLU 85 CO -0.04 0.17 0.21 1.96 -0.73 0.00 0.00 179.01 180.59 1xkp h GLN 86 N 0.27 0.91 -0.05 1.92 4.20 -0.92 -2.29 115.11 119.15 1xkp h GLN 86 Ca 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1xkp h GLN 86 Cb 0.05 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1xkp h GLN 86 CO -0.09 0.80 -0.02 0.28 -0.67 0.00 0.00 178.83 179.12 1xkp h VAL 87 N 0.84 1.32 -0.92 -0.54 2.07 -0.73 -2.98 116.25 115.31 1xkp h VAL 87 Ca 0.20 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1xkp h VAL 87 Cb 0.25 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1xkp h VAL 87 CO -0.01 0.27 0.60 0.78 0.02 0.00 0.00 177.57 179.22 1xkp h ASN 88 N -0.28 1.00 -0.52 0.57 2.35 -0.86 -0.34 115.58 117.51 1xkp h ASN 88 Ca 0.01 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1xkp h ASN 88 Cb 0.44 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1xkp h ASN 88 CO 0.01 0.69 0.26 -0.61 -1.65 0.00 0.00 177.43 176.13 1xkp h GLN 89 N 1.17 0.49 0.02 0.81 -0.00 -1.32 -1.59 115.11 114.69 1xkp h GLN 89 Ca 0.36 -0.03 -0.25 0.00 -0.00 0.00 0.00 58.65 58.73 1xkp h GLN 89 Cb -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 27.48 27.36 1xkp h GLN 89 CO -0.11 0.33 -1.03 1.88 0.00 0.00 0.00 178.83 179.89 1xkp h TYR 90 N 0.51 0.81 0.00 3.99 0.05 -1.30 -3.28 116.97 117.75 1xkp h TYR 90 Ca 0.23 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1xkp h TYR 90 Cb 0.15 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1xkp h TYR 90 CO -0.10 1.29 0.00 -0.07 -1.05 0.00 0.00 178.16 178.23 1xkp h LEU 91 N 0.29 0.00 -4.73 3.88 3.38 -0.76 -3.38 115.31 113.99 1xkp h LEU 91 Ca -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1xkp h LEU 91 Cb 1.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1xkp h LEU 91 CO 0.19 0.00 0.30 -1.54 0.09 0.00 0.00 178.44 177.48 1xkp n SER 92 N -2.90 1.09 -1.05 -0.43 3.41 -0.63 -4.10 113.62 109.01 1xkp n SER 92 Ca 0.03 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1xkp n SER 92 Cb 0.43 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1xkp n SER 92 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1xkp n VAL 94 N 2.83 0.00 -0.93 -3.33 3.14 -1.26 -5.06 118.33 113.72 1xkp n VAL 94 Ca 0.08 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.19 1xkp n VAL 94 Cb 0.19 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.87 1xkp n VAL 94 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1xkp n PRO 95 N -0.23 0.03 -3.73 1.45 -0.04 -1.26 -4.75 135.00 126.47 1xkp n PRO 95 Ca 0.00 -1.06 -0.29 0.00 -0.04 0.00 0.00 63.50 62.11 1xkp n PRO 95 Cb 0.00 -2.72 -0.13 0.00 -0.04 0.00 0.00 33.50 30.62 1xkp n PRO 95 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xkp s GLU 96 N 6.97 1.47 1.22 0.54 0.41 -1.26 -5.11 118.70 122.94 1xkp s GLU 96 Ca 0.62 -2.25 -0.17 0.00 -0.41 0.00 0.00 54.97 52.75 1xkp s GLU 96 Cb 0.06 -2.49 0.29 0.00 -1.78 0.00 0.00 34.13 30.22 1xkp s GLU 96 CO 0.24 -1.19 1.04 -0.51 -0.49 0.00 0.00 175.26 174.34 1xkp s LEU 97 N 0.03 0.37 -0.07 1.80 1.43 -1.26 -5.01 118.68 115.96 1xkp s LEU 97 Ca 0.20 0.99 0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1xkp s LEU 97 Cb -0.19 -2.76 0.20 0.00 0.03 0.00 0.00 46.19 43.47 1xkp s LEU 97 CO -0.04 -4.32 1.10 -0.62 0.23 0.00 0.00 176.35 172.70 1xkp n GLU 98 N -4.94 0.68 0.00 1.70 1.02 -1.26 -5.00 120.64 112.84 1xkp n GLU 98 Ca 0.09 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 1xkp n GLU 98 Cb 0.58 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1xkp n GLU 98 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xkp n GLN 99 N -0.65 0.00 0.00 3.49 6.02 -1.26 -1.68 117.38 123.30 1xkp n GLN 99 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1xkp n GLN 99 Cb 0.72 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.65 1xkp n GLN 99 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xkp n GLN 101 N 0.83 0.00 0.07 -1.09 1.13 -1.26 -2.67 117.38 114.39 1xkp n GLN 101 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1xkp n GLN 101 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 1xkp n GLN 101 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1xkp h ASN 102 N 0.00 -0.50 0.52 1.08 -1.24 -1.67 0.20 115.58 113.97 1xkp h ASN 102 Ca 0.00 0.07 -0.18 0.00 0.71 0.00 0.00 56.30 56.90 1xkp h ASN 102 Cb 0.00 0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 1xkp h ASN 102 CO 0.00 -0.24 -0.79 1.62 -1.29 0.00 0.00 177.43 176.72 1xkp h VAL 103 N -0.31 1.46 -0.73 2.57 3.04 -1.80 0.65 116.25 121.13 1xkp h VAL 103 Ca 0.04 -2.43 -0.03 0.00 -1.01 0.00 0.00 66.70 63.27 1xkp h VAL 103 Cb 0.36 2.33 -0.03 0.00 -2.01 0.00 0.00 31.29 31.93 1xkp h VAL 103 CO -0.14 0.71 0.34 0.77 -1.01 0.00 0.00 177.57 178.25 1xkp h SER 104 N 0.13 0.97 -0.54 3.17 4.64 -1.80 0.15 113.55 120.27 1xkp h SER 104 Ca -0.03 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1xkp h SER 104 Cb 1.39 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1xkp h SER 104 CO 0.12 0.84 0.13 -0.33 -0.87 0.00 0.00 176.83 176.72 1xkp h GLU 105 N 1.03 0.86 -0.24 4.77 4.39 -0.07 -2.71 114.58 122.61 1xkp h GLU 105 Ca 0.25 -0.21 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1xkp h GLU 105 Cb 0.13 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 1xkp h GLU 105 CO -0.03 0.81 -0.23 1.25 -1.16 0.00 0.00 179.01 179.66 1xkp h LEU 106 N 0.76 -0.73 -0.67 1.33 7.12 0.78 -2.06 115.31 121.84 1xkp h LEU 106 Ca 0.17 0.13 0.13 0.00 0.13 0.00 0.00 57.88 58.44 1xkp h LEU 106 Cb 0.34 0.35 -0.13 0.00 -0.53 0.00 0.00 40.66 40.69 1xkp h LEU 106 CO 0.00 -0.26 -0.24 0.25 -0.13 0.00 0.00 178.44 178.06 1xkp h LEU 107 N -0.23 -0.86 -7.23 2.25 5.85 -0.58 -2.92 115.31 111.60 1xkp h LEU 107 Ca 0.14 0.22 -0.64 0.00 0.84 0.00 0.00 57.88 58.44 1xkp h LEU 107 Cb 0.44 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1xkp h LEU 107 CO -0.38 -0.26 2.33 -0.24 -0.34 0.00 0.00 178.44 179.55 1xkp n SER 108 N -5.46 4.18 0.00 1.25 2.88 -0.77 -3.44 113.62 112.26 1xkp n SER 108 Ca 0.07 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1xkp n SER 108 Cb 0.36 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 1xkp n SER 108 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xkp n LEU 109 N 8.48 0.00 -0.17 2.46 4.77 -1.10 -4.77 117.00 126.67 1xkp n LEU 109 Ca 0.49 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 1xkp n LEU 109 Cb 0.44 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.98 1xkp n LEU 109 CO 0.82 0.00 1.21 -0.07 -1.33 0.00 0.00 177.39 178.01 1xkp h LEU 110 N 0.00 0.48 0.00 2.23 3.38 -1.62 -3.41 115.31 116.36 1xkp h LEU 110 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xkp h LEU 110 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xkp h LEU 110 CO 0.00 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 177.26 1xkp n SER 111 N -4.49 0.00 0.00 -0.43 3.41 -1.26 -4.98 113.62 105.87 1xkp n SER 111 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1xkp n SER 111 Cb 0.44 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1xkp n SER 111 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xkp n ASN 112 N -1.09 0.00 -4.29 4.04 4.05 -1.26 -4.33 115.26 112.38 1xkp n ASN 112 Ca 0.00 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.81 1xkp n ASN 112 Cb 0.00 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 40.89 1xkp n ASN 112 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1xkp s SER 113 N -1.20 2.48 0.19 1.20 0.01 -1.26 -5.00 113.70 110.12 1xkp s SER 113 Ca 0.00 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 1xkp s SER 113 Cb 0.00 -0.13 0.11 0.00 0.21 0.00 0.00 66.02 66.20 1xkp s SER 113 CO 0.00 0.00 1.48 1.55 0.41 0.00 0.00 173.24 176.68 1xkp h PRO 114 N 3.77 0.43 -3.52 12.44 0.13 -1.97 -3.42 132.00 139.86 1xkp h PRO 114 Ca -0.44 -0.31 -0.59 0.00 -0.87 0.00 0.00 66.00 63.79 1xkp h PRO 114 Cb 1.19 0.05 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 1xkp h PRO 114 CO 0.44 0.94 -0.76 -0.80 -0.23 0.00 0.00 178.00 177.59 1xkp s ASN 115 N -6.95 4.00 -0.10 1.44 0.01 -1.26 -5.11 114.94 106.98 1xkp s ASN 115 Ca -0.06 -1.74 -0.21 0.00 -0.71 0.00 0.00 52.86 50.15 1xkp s ASN 115 Cb 0.11 -0.89 -0.04 0.00 0.41 0.00 0.00 41.25 40.84 1xkp s ASN 115 CO 0.83 -0.40 0.58 -0.63 -1.51 0.00 0.00 177.10 175.97 1xkp s ILE 116 N 1.49 5.12 0.24 0.60 1.09 -1.26 -5.05 121.20 123.43 1xkp s ILE 116 Ca 0.11 1.17 0.08 0.00 -1.10 0.00 0.00 60.65 60.91 1xkp s ILE 116 Cb -0.18 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 1xkp s ILE 116 CO -0.22 0.28 0.07 -0.94 -0.10 0.00 0.00 174.94 174.03 1xkp s SER 117 N 0.73 4.99 0.22 3.58 1.04 -1.26 -5.03 113.70 117.97 1xkp s SER 117 Ca 0.31 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 1xkp s SER 117 Cb -0.16 -1.11 0.27 0.00 0.10 0.00 0.00 66.02 65.11 1xkp s SER 117 CO 0.14 0.01 1.82 0.25 0.98 0.00 0.00 173.24 176.43 1xkp h LEU 118 N 1.94 0.62 -0.96 2.42 5.85 -1.96 -2.31 115.31 120.91 1xkp h LEU 118 Ca -0.46 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.29 1xkp h LEU 118 Cb 1.23 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1xkp h LEU 118 CO 0.60 0.40 0.63 0.28 -0.34 0.00 0.00 178.44 180.01 1xkp h SER 119 N 0.75 1.11 -0.45 1.25 0.02 -2.01 -1.51 113.55 112.70 1xkp h SER 119 Ca 0.32 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1xkp h SER 119 Cb 0.19 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1xkp h SER 119 CO -0.18 0.81 0.24 1.56 -1.14 0.00 0.00 176.83 178.11 1xkp h GLN 120 N 1.31 0.64 -0.92 3.45 4.20 -1.89 -1.03 115.11 120.87 1xkp h GLN 120 Ca 0.35 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1xkp h GLN 120 Cb -0.14 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.52 1xkp h GLN 120 CO -0.07 0.52 0.00 -0.11 -0.67 0.00 0.00 178.83 178.50 1xkp n LEU 121 N -4.68 0.25 0.00 1.46 7.94 -0.57 -1.78 117.00 119.63 1xkp n LEU 121 Ca 0.01 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 1xkp n LEU 121 Cb 0.09 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1xkp n LEU 121 CO 0.36 0.05 0.00 0.00 -1.11 0.00 0.00 177.39 176.69 1xkp n ALA 123 N 0.66 0.00 -0.17 1.96 0.00 -0.39 -1.53 120.51 121.04 1xkp n ALA 123 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1xkp n ALA 123 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1xkp n ALA 123 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1xkp h TYR 124 N 0.00 0.98 -0.24 0.00 0.05 -1.62 0.41 116.97 116.54 1xkp h TYR 124 Ca 0.00 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.61 1xkp h TYR 124 Cb 0.00 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 1xkp h TYR 124 CO 0.00 0.93 0.12 -0.07 -1.05 0.00 0.00 178.16 178.09 1xkp h LEU 125 N 0.74 0.19 -1.58 3.88 3.38 -1.56 -2.45 115.31 117.92 1xkp h LEU 125 Ca 0.13 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1xkp h LEU 125 Cb 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xkp h LEU 125 CO 0.03 0.15 -0.23 -0.33 0.09 0.00 0.00 178.44 178.15 1xkp h GLU 126 N 0.26 0.00 -0.31 1.13 5.08 -1.79 -1.79 114.58 117.17 1xkp h GLU 126 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xkp h GLU 126 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xkp h GLU 126 CO -0.06 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1xkp n GLY 127 N -0.70 0.45 3.76 -3.84 0.00 0.12 -4.02 105.19 100.96 1xkp n GLY 127 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1xkp n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xkp s SER 129 N -0.71 6.35 0.00 1.61 0.15 -0.67 -5.09 113.70 115.33 1xkp s SER 129 Ca 0.00 3.00 0.29 0.00 0.70 0.00 0.00 55.95 59.94 1xkp s SER 129 Cb 0.00 -2.64 1.37 0.00 -1.71 0.00 0.00 66.02 63.03 1xkp s SER 129 CO 0.00 -0.92 1.98 -1.84 1.20 0.00 0.00 173.24 173.66 1xkp n GLU 130 N 1.71 0.21 -3.11 5.44 0.28 -1.26 -4.77 120.64 119.14 1xkp n GLU 130 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.66 1xkp n GLU 130 Cb 0.38 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.68 1xkp n GLU 130 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1xkp s GLU 131 N -2.79 3.88 0.32 3.44 2.56 -1.26 -4.96 118.70 119.89 1xkp s GLU 131 Ca 0.21 0.28 0.06 0.00 0.00 0.00 0.00 54.97 55.52 1xkp s GLU 131 Cb 0.19 -3.73 0.72 0.00 2.00 0.00 0.00 34.13 33.31 1xkp s GLU 131 CO 0.49 -0.59 1.84 -1.35 -0.56 0.00 0.00 175.26 175.10 1xkp h PRO 132 N 8.21 0.78 -0.16 4.30 0.11 -1.91 -1.44 132.00 141.89 1xkp h PRO 132 Ca -0.27 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 1xkp h PRO 132 Cb 1.12 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1xkp h PRO 132 CO 0.81 0.51 -0.13 0.66 -0.21 0.00 0.00 178.00 179.64 1xkp h SER 133 N 0.80 0.23 -0.25 -2.05 4.64 -1.83 -1.09 113.55 114.00 1xkp h SER 133 Ca 0.49 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.57 1xkp h SER 133 Cb 0.69 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1xkp h SER 133 CO -0.25 0.40 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.19 1xkp h GLU 134 N 0.24 0.86 -0.56 4.77 5.08 -1.67 -3.19 114.58 120.11 1xkp h GLU 134 Ca 0.05 -0.57 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1xkp h GLU 134 Cb 0.39 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1xkp h GLU 134 CO 0.02 1.20 0.29 1.96 -1.00 0.00 0.00 179.01 181.48 1xkp h GLN 135 N 0.65 0.79 -1.17 2.33 4.20 -1.03 0.26 115.11 121.14 1xkp h GLN 135 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1xkp h GLN 135 Cb 1.19 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1xkp h GLN 135 CO 0.13 0.63 0.00 0.34 -0.67 0.00 0.00 178.83 179.25 1xkp n PHE 136 N -4.58 0.00 0.00 2.96 7.35 -0.44 -1.55 117.46 121.19 1xkp n PHE 136 Ca 0.03 -0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1xkp n PHE 136 Cb 0.10 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 39.84 1xkp n PHE 136 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1xkp n MET 138 N 0.69 0.00 -0.13 -4.13 2.81 0.08 -1.29 117.12 115.15 1xkp n MET 138 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 1xkp n MET 138 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 1xkp n MET 138 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1xkp h LEU 139 N 0.00 0.49 -0.82 4.03 3.38 -1.54 0.16 115.31 121.00 1xkp h LEU 139 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xkp h LEU 139 Cb 0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1xkp h LEU 139 CO 0.00 0.40 0.52 0.00 0.09 0.00 0.00 178.44 179.45 1xkp h GLY 141 N 1.12 1.02 1.00 0.00 0.00 -1.72 -2.01 103.07 102.48 1xkp h GLY 141 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1xkp h GLY 141 CO -0.06 0.49 0.17 1.41 0.00 0.00 0.00 176.54 178.55 1xkp h LEU 142 N 0.91 0.30 -0.42 3.11 3.38 -0.44 0.24 115.31 122.40 1xkp h LEU 142 Ca 0.22 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1xkp h LEU 142 Cb 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1xkp h LEU 142 CO -0.03 0.23 0.14 -0.09 0.09 0.00 0.00 178.44 178.78 1xkp h ARG 143 N 0.35 0.28 -0.46 1.13 2.43 -0.96 -0.67 114.38 116.49 1xkp h ARG 143 Ca 0.10 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1xkp h ARG 143 Cb -0.03 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1xkp h ARG 143 CO -0.02 0.19 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.14 1xkp h ASP 144 N 0.29 0.76 0.38 -3.80 3.32 -1.28 -1.95 116.42 114.15 1xkp h ASP 144 Ca 0.20 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1xkp h ASP 144 Cb 0.20 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1xkp h ASP 144 CO -0.21 0.86 -0.04 0.00 -1.72 0.00 0.00 179.24 178.13 1xkp h ALA 145 N 1.22 1.13 -1.20 3.45 0.00 -0.25 -3.36 119.26 120.25 1xkp h ALA 145 Ca 0.13 -0.04 -0.80 0.00 0.00 0.00 0.00 54.91 54.20 1xkp h ALA 145 Cb 0.52 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.04 1xkp h ALA 145 CO 0.03 0.05 1.10 1.28 0.00 0.00 0.00 179.25 181.71 1xkp n LEU 146 N -3.33 7.41 0.00 0.00 4.77 -0.32 -4.71 117.00 120.82 1xkp n LEU 146 Ca -0.02 -5.32 0.00 0.00 -0.03 0.00 0.00 56.01 50.64 1xkp n LEU 146 Cb 0.19 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1xkp n LEU 146 CO 0.26 2.03 0.00 0.61 -1.33 0.00 0.00 177.39 178.96 1xkp n GLY 148 N -0.01 0.00 0.00 -0.72 0.00 -1.26 -4.56 105.19 98.64 1xkp n GLY 148 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1xkp n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkp n ARG 149 N 0.00 0.00 0.24 1.61 1.74 -1.26 -5.07 116.66 113.92 1xkp n ARG 149 Ca 0.00 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.25 1xkp n ARG 149 Cb 0.00 0.00 0.76 0.00 -1.02 0.00 0.00 32.46 32.20 1xkp n ARG 149 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1xkp h PRO 150 N 0.00 0.00 0.00 5.56 0.13 -2.00 -1.16 132.00 134.52 1xkp h PRO 150 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xkp h PRO 150 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xkp h PRO 150 CO 0.00 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 178.82 1xkp h GLU 151 N 0.00 0.00 -0.60 0.86 9.09 -1.97 -3.10 114.58 118.85 1xkp h GLU 151 Ca 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.17 1xkp h GLU 151 Cb 0.28 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.24 1xkp h GLU 151 CO 0.00 0.00 0.21 1.28 0.05 0.00 0.00 179.01 180.55 1xkp n LEU 152 N -2.42 5.29 0.26 3.06 4.77 -0.44 -4.68 117.00 122.84 1xkp n LEU 152 Ca 0.03 -3.45 0.08 0.00 -0.03 0.00 0.00 56.01 52.64 1xkp n LEU 152 Cb 0.33 -0.70 0.64 0.00 -2.33 0.00 0.00 43.42 41.35 1xkp n LEU 152 CO 0.25 0.98 1.05 0.00 -1.33 0.00 0.00 177.39 178.34 1xkp h ALA 153 N 1.63 1.92 -0.84 -1.18 0.00 -1.64 -0.26 119.26 118.89 1xkp h ALA 153 Ca 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1xkp h ALA 153 Cb 2.11 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.86 1xkp h ALA 153 CO 0.63 0.04 0.40 1.12 0.00 0.00 0.00 179.25 181.44 1xkp h HIS 154 N 0.00 1.21 -0.34 0.00 -0.00 -1.88 0.68 115.15 114.82 1xkp h HIS 154 Ca -0.00 -0.06 -0.12 0.00 -0.00 0.00 0.00 60.37 60.19 1xkp h HIS 154 Cb 0.05 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1xkp h HIS 154 CO 0.00 0.88 -0.24 -0.07 -0.00 0.00 0.00 177.93 178.49 1xkp h LEU 155 N 1.19 0.80 -0.49 6.12 3.38 -1.47 -2.45 115.31 122.40 1xkp h LEU 155 Ca 0.29 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1xkp h LEU 155 Cb 0.13 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1xkp h LEU 155 CO -0.04 1.07 0.14 0.28 0.09 0.00 0.00 178.44 179.99 1xkp h SER 156 N 0.54 0.11 -0.65 -0.43 0.02 -0.89 -1.20 113.55 111.05 1xkp h SER 156 Ca 0.07 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1xkp h SER 156 Cb 0.81 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 1xkp h SER 156 CO 0.07 0.09 0.41 -0.74 -1.14 0.00 0.00 176.83 175.51 1xkp h HIS 157 N 0.30 0.77 -0.76 3.45 -0.00 -0.70 -1.24 115.15 116.98 1xkp h HIS 157 Ca 0.24 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1xkp h HIS 157 Cb 0.29 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.41 1xkp h HIS 157 CO -0.19 0.44 0.34 1.25 -0.00 0.00 0.00 177.93 179.78 1xkp h LEU 158 N 0.81 1.00 -0.70 0.26 5.85 -0.95 -1.89 115.31 119.69 1xkp h LEU 158 Ca 0.26 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1xkp h LEU 158 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1xkp h LEU 158 CO -0.10 0.86 -0.15 0.58 -0.34 0.00 0.00 178.44 179.29 1xkp h VAL 159 N 1.08 1.27 -0.89 1.05 2.07 -0.51 -1.13 116.25 119.18 1xkp h VAL 159 Ca 0.26 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 1xkp h VAL 159 Cb 0.14 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1xkp h VAL 159 CO -0.03 0.43 0.49 -0.33 0.02 0.00 0.00 177.57 178.15 1xkp h GLU 160 N 0.76 1.24 -0.41 1.57 4.39 -0.95 -0.36 114.58 120.82 1xkp h GLU 160 Ca 0.12 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1xkp h GLU 160 Cb 0.67 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1xkp h GLU 160 CO 0.05 0.91 0.27 1.96 -1.16 0.00 0.00 179.01 181.03 1xkp h GLN 161 N 1.25 0.53 -0.61 2.33 4.20 -0.75 -1.94 115.11 120.13 1xkp h GLN 161 Ca 0.31 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 1xkp h GLN 161 Cb 0.02 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1xkp h GLN 161 CO -0.05 0.35 0.11 0.00 -0.67 0.00 0.00 178.83 178.57 1xkp h ALA 162 N 1.16 0.80 -0.59 3.87 0.00 -0.87 -0.34 119.26 123.29 1xkp h ALA 162 Ca 0.15 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xkp h ALA 162 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1xkp h ALA 162 CO -0.04 0.55 0.38 -0.07 0.00 0.00 0.00 179.25 180.07 1xkp h LEU 163 N 0.91 0.64 0.07 0.00 3.38 -0.96 0.44 115.31 119.80 1xkp h LEU 163 Ca 0.19 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xkp h LEU 163 Cb 0.41 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xkp h LEU 163 CO 0.01 0.46 -0.04 0.58 0.09 0.00 0.00 178.44 179.54 1xkp h VAL 164 N 0.76 0.93 -0.35 1.22 2.07 -1.06 0.49 116.25 120.31 1xkp h VAL 164 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 1xkp h VAL 164 Cb -0.05 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1xkp h VAL 164 CO -0.06 0.00 0.14 -1.28 0.02 0.00 0.00 177.57 176.39 1xkp h SER 165 N -0.10 0.17 -0.42 0.57 0.87 -0.73 -0.38 113.55 113.54 1xkp h SER 165 Ca -0.01 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1xkp h SER 165 Cb 0.08 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1xkp h SER 165 CO 0.02 0.14 0.11 0.24 -0.53 0.00 0.00 176.83 176.80 1xkp h MET 166 N 0.30 0.66 -0.52 2.24 2.07 -0.78 0.12 114.93 119.01 1xkp h MET 166 Ca 0.15 -0.15 -0.05 0.00 -2.07 0.00 0.00 59.70 57.58 1xkp h MET 166 Cb 0.11 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.72 1xkp h MET 166 CO -0.14 0.67 0.12 0.00 1.07 0.00 0.00 176.91 178.63 1xkp h ALA 167 N 0.96 1.24 0.06 6.32 0.00 -0.64 0.12 119.26 127.31 1xkp h ALA 167 Ca 0.13 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1xkp h ALA 167 Cb 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xkp h ALA 167 CO -0.00 0.53 -0.61 0.93 0.00 0.00 0.00 179.25 180.09 1xkp h GLU 168 N 0.77 0.32 0.00 0.00 4.39 -0.95 -2.66 114.58 116.45 1xkp h GLU 168 Ca 0.17 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 59.36 1xkp h GLU 168 Cb 0.29 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1xkp h GLU 168 CO -0.00 1.13 -1.25 0.39 -1.16 0.00 0.00 179.01 178.12 1xkp n GLU 169 N -4.24 0.62 -0.29 2.33 1.02 0.40 -4.38 120.64 116.10 1xkp n GLU 169 Ca -0.12 0.17 0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1xkp n GLU 169 Cb 0.70 -1.81 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 1xkp n GLU 169 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xkp n GLN 170 N -2.78 0.54 -0.23 3.49 6.02 -0.01 -4.92 117.38 119.49 1xkp n GLN 170 Ca -0.05 -1.42 -0.03 0.00 -0.01 0.00 0.00 57.00 55.49 1xkp n GLN 170 Cb 0.71 -0.81 0.08 0.00 1.02 0.00 0.00 30.24 31.24 1xkp n GLN 170 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1xkp h GLY 171 N 0.00 0.97 0.94 1.08 0.00 -1.07 0.44 103.07 105.43 1xkp h GLY 171 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1xkp h GLY 171 CO 0.00 0.22 0.01 -2.09 0.00 0.00 0.00 176.54 174.68 1xkp h GLU 172 N 0.76 0.67 -0.98 4.80 4.81 -1.90 -0.42 114.58 122.32 1xkp h GLU 172 Ca 0.28 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1xkp h GLU 172 Cb 0.09 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1xkp h GLU 172 CO -0.14 0.76 0.65 1.15 -0.73 0.00 0.00 179.01 180.70 1xkp h THR 173 N 0.50 1.25 -0.06 0.32 2.02 -1.84 -0.66 112.91 114.44 1xkp h THR 173 Ca 0.11 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1xkp h THR 173 Cb 0.46 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1xkp h THR 173 CO 0.02 0.24 0.01 0.40 0.37 0.00 0.00 175.52 176.56 1xkp h ILE 174 N 1.33 1.22 -0.66 3.11 2.04 -0.62 -2.01 117.51 121.93 1xkp h ILE 174 Ca 0.36 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 1xkp h ILE 174 Cb -0.15 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1xkp h ILE 174 CO -0.08 0.19 0.11 0.58 0.00 0.00 0.00 178.15 178.95 1xkp h VAL 175 N -0.15 1.26 -0.42 1.67 2.07 -0.80 -1.56 116.25 118.33 1xkp h VAL 175 Ca 0.02 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1xkp h VAL 175 Cb 0.29 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1xkp h VAL 175 CO 0.00 0.39 -0.16 -0.07 0.02 0.00 0.00 177.57 177.75 1xkp h LEU 176 N 1.00 0.86 -0.67 2.57 3.38 -1.17 0.89 115.31 122.18 1xkp h LEU 176 Ca 0.20 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xkp h LEU 176 Cb 0.44 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1xkp h LEU 176 CO 0.01 1.05 0.42 1.23 0.09 0.00 0.00 178.44 181.25 1xkp h GLY 177 N 0.66 0.96 0.97 0.83 0.00 -1.13 -1.56 103.07 103.80 1xkp h GLY 177 Ca 0.10 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1xkp h GLY 177 CO 0.05 0.37 0.02 0.00 0.00 0.00 0.00 176.54 176.98 1xkp h ALA 178 N 1.22 0.60 -0.90 3.60 0.00 -1.14 -2.33 119.26 120.31 1xkp h ALA 178 Ca 0.24 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xkp h ALA 178 Cb -0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1xkp h ALA 178 CO -0.05 0.38 0.59 -0.09 0.00 0.00 0.00 179.25 180.08 1xkp h ARG 179 N 0.63 1.05 0.00 0.00 1.12 -0.29 -2.22 114.38 114.66 1xkp h ARG 179 Ca 0.13 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1xkp h ARG 179 Cb 0.47 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.19 1xkp h ARG 179 CO 0.02 0.69 -0.62 1.51 -3.11 0.00 0.00 179.97 178.46 1xkp n ILE 180 N -4.47 0.12 -0.10 1.20 0.13 -0.64 -4.47 119.36 111.14 1xkp n ILE 180 Ca 0.13 -0.11 -0.06 0.00 -1.10 0.00 0.00 62.75 61.61 1xkp n ILE 180 Cb 0.15 0.16 0.01 0.00 -0.84 0.00 0.00 39.64 39.12 1xkp n ILE 180 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 1xkp h THR 181 N 0.00 0.76 -0.57 9.51 2.02 -0.82 0.93 112.91 124.74 1xkp h THR 181 Ca 0.00 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1xkp h THR 181 Cb 0.60 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 1xkp h THR 181 CO 0.00 0.02 0.25 -0.65 0.37 0.00 0.00 175.52 175.51 1xkp h PRO 182 N 0.11 0.46 -0.31 6.66 0.11 -1.78 0.89 132.00 138.14 1xkp h PRO 182 Ca 0.16 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 1xkp h PRO 182 Cb 0.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 1xkp h PRO 182 CO -0.27 0.30 -0.50 0.93 -0.21 0.00 0.00 178.00 178.26 1xkp h GLU 183 N 0.47 0.88 -0.41 1.05 3.07 -1.75 -1.55 114.58 116.35 1xkp h GLU 183 Ca 0.27 -0.53 -0.07 0.00 -0.50 0.00 0.00 59.36 58.53 1xkp h GLU 183 Cb 0.26 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1xkp h GLU 183 CO -0.23 1.17 -0.05 0.00 -1.40 0.00 0.00 179.01 178.50 1xkp h ALA 184 N 0.73 1.15 -0.23 3.43 0.00 -0.63 -1.38 119.26 122.34 1xkp h ALA 184 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1xkp h ALA 184 Cb 1.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xkp h ALA 184 CO 0.11 0.54 -0.21 -0.92 0.00 0.00 0.00 179.25 178.77 1xkp h TYR 185 N 0.64 0.66 -0.28 0.00 3.20 -0.68 -0.73 116.97 119.77 1xkp h TYR 185 Ca 0.12 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 61.82 1xkp h TYR 185 Cb 0.47 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1xkp h TYR 185 CO 0.02 0.88 0.12 0.00 -1.64 0.00 0.00 178.16 177.54 1xkp h ARG 186 N 0.25 0.26 -0.15 1.82 3.08 -1.17 -1.22 114.38 117.24 1xkp h ARG 186 Ca 0.04 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1xkp h ARG 186 Cb 0.76 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1xkp h ARG 186 CO 0.05 0.17 -0.01 1.49 -1.07 0.00 0.00 179.97 180.61 1xkp h GLU 187 N 0.27 0.04 -0.05 0.04 4.57 -1.17 -3.03 114.58 115.24 1xkp h GLU 187 Ca 0.12 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1xkp h GLU 187 Cb 0.06 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1xkp h GLU 187 CO -0.10 0.03 -0.34 0.66 -1.18 0.00 0.00 179.01 178.08 1xkp h SER 188 N 0.04 0.09 0.70 1.04 4.64 -0.84 -2.07 113.55 117.15 1xkp h SER 188 Ca 0.07 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1xkp h SER 188 Cb 0.09 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1xkp h SER 188 CO -0.12 0.43 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 1xkp n GLN 189 N -4.11 0.16 -0.03 4.77 1.13 -0.49 -3.67 117.38 115.13 1xkp n GLN 189 Ca -0.02 0.06 0.02 0.00 -1.94 0.00 0.00 57.00 55.12 1xkp n GLN 189 Cb 0.40 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.28 1xkp n GLN 189 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1xkp n SER 190 N -1.41 1.90 -0.25 1.08 3.41 -0.79 -5.08 113.62 112.48 1xkp n SER 190 Ca 0.09 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1xkp n SER 190 Cb 0.26 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1xkp n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xkp n GLY 191 N -0.07 1.52 1.17 5.00 0.00 -1.14 -5.04 105.19 106.63 1xkp n GLY 191 Ca 0.03 -0.72 0.08 0.00 0.00 0.00 0.00 46.02 45.41 1xkp n GLY 191 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xkp n VAL 192 N 0.00 1.11 -3.36 1.61 0.24 -1.26 -4.83 118.33 111.84 1xkp n VAL 192 Ca 0.00 -0.83 -0.42 0.00 -2.04 0.00 0.00 64.34 61.05 1xkp n VAL 192 Cb 0.00 0.18 -0.09 0.00 -1.47 0.00 0.00 33.84 32.46 1xkp n VAL 192 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1xkp s ASN 193 N -0.88 6.19 0.73 -1.34 0.01 -1.26 -4.58 114.94 113.80 1xkp s ASN 193 Ca 0.38 -0.53 -0.11 0.00 -0.71 0.00 0.00 52.86 51.89 1xkp s ASN 193 Cb 0.23 -2.21 0.03 0.00 0.41 0.00 0.00 41.25 39.70 1xkp s ASN 193 CO 0.22 -0.49 1.07 -2.16 -1.51 0.00 0.00 177.10 174.23 1xkp s PRO 194 N 2.07 2.62 0.05 -0.60 0.04 -1.26 -3.85 135.00 134.07 1xkp s PRO 194 Ca 0.12 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 1xkp s PRO 194 Cb -0.17 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.25 1xkp s PRO 194 CO 0.13 -1.35 1.54 1.25 0.04 0.00 0.00 177.00 178.61 1xkp h LEU 195 N -0.91 -0.08 -0.21 -3.56 5.85 -1.91 -2.90 115.31 111.59 1xkp h LEU 195 Ca -0.44 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 1xkp h LEU 195 Cb 1.22 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1xkp h LEU 195 CO 0.54 0.12 0.01 -0.61 -0.34 0.00 0.00 178.44 178.16 1xkp h GLN 196 N -0.28 0.36 -0.35 1.25 5.75 -1.95 -1.72 115.11 118.17 1xkp h GLN 196 Ca -0.01 -0.11 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1xkp h GLN 196 Cb 0.24 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1xkp h GLN 196 CO 0.02 0.54 0.23 -1.35 -2.65 0.00 0.00 178.83 175.62 1xkp h PRO 197 N 0.13 0.33 -0.28 -2.39 0.11 -1.94 -0.56 132.00 127.40 1xkp h PRO 197 Ca 0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 1xkp h PRO 197 Cb 0.37 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1xkp h PRO 197 CO 0.01 0.22 0.08 -0.07 -0.21 0.00 0.00 178.00 178.03 1xkp h LEU 198 N 0.34 0.40 -0.40 2.35 3.38 -1.24 -1.03 115.31 119.12 1xkp h LEU 198 Ca 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1xkp h LEU 198 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xkp h LEU 198 CO -0.03 0.51 0.15 0.03 0.09 0.00 0.00 178.44 179.19 1xkp h ARG 199 N 0.28 0.60 -0.34 1.13 3.08 -0.65 -1.99 114.38 116.49 1xkp h ARG 199 Ca 0.09 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1xkp h ARG 199 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1xkp h ARG 199 CO -0.00 0.57 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.89 1xkp h ASP 200 N 0.50 0.58 -0.21 7.04 3.32 -1.06 -1.05 116.42 125.54 1xkp h ASP 200 Ca 0.13 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1xkp h ASP 200 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1xkp h ASP 200 CO -0.01 0.74 -0.10 0.74 -1.72 0.00 0.00 179.24 178.89 1xkp h THR 201 N 0.54 1.31 0.08 0.35 2.02 -0.99 -1.14 112.91 115.08 1xkp h THR 201 Ca 0.09 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1xkp h THR 201 Cb 0.55 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1xkp h THR 201 CO 0.03 0.35 -0.06 0.22 0.37 0.00 0.00 175.52 176.44 1xkp h TYR 202 N 0.13 -0.15 -0.81 3.16 3.20 -1.22 -2.45 116.97 118.83 1xkp h TYR 202 Ca 0.05 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1xkp h TYR 202 Cb 0.59 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1xkp h TYR 202 CO 0.06 -0.09 0.42 -0.09 -1.64 0.00 0.00 178.16 176.82 1xkp h ARG 203 N -0.14 1.15 -0.49 1.82 2.43 -1.18 -1.73 114.38 116.24 1xkp h ARG 203 Ca -0.00 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1xkp h ARG 203 Cb 0.13 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1xkp h ARG 203 CO -0.00 0.86 0.09 -0.44 -1.51 0.00 0.00 179.97 178.97 1xkp h ASP 204 N 1.14 0.70 -0.07 -3.80 3.32 -1.17 0.61 116.42 117.15 1xkp h ASP 204 Ca 0.28 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1xkp h ASP 204 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1xkp h ASP 204 CO -0.04 0.72 -0.21 0.00 -1.72 0.00 0.00 179.24 177.98 1xkp h ALA 205 N 1.38 1.15 0.09 3.45 0.00 -0.84 -0.27 119.26 124.23 1xkp h ALA 205 Ca 0.16 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1xkp h ALA 205 Cb 0.31 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xkp h ALA 205 CO 0.00 0.54 -0.58 0.28 0.00 0.00 0.00 179.25 179.49 1xkp h VAL 206 N 0.43 1.58 0.00 0.00 2.07 -0.77 -3.35 116.25 116.21 1xkp h VAL 206 Ca 0.07 -2.44 -0.20 0.00 0.82 0.00 0.00 66.70 64.95 1xkp h VAL 206 Cb 0.61 3.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.55 1xkp h VAL 206 CO 0.04 0.68 -1.30 0.24 0.02 0.00 0.00 177.57 177.25 1xkp h MET 207 N -0.52 0.00 0.00 1.57 2.07 -0.87 -3.42 114.93 113.76 1xkp h MET 207 Ca -0.10 0.00 -0.24 0.00 -2.07 0.00 0.00 59.70 57.29 1xkp h MET 207 Cb 1.44 0.00 -0.15 0.00 -1.87 0.00 0.00 31.60 31.02 1xkp h MET 207 CO 0.11 0.49 -0.43 0.41 1.07 0.00 0.00 176.91 178.56 1xkp n GLY 208 N 1.41 0.70 3.75 8.32 0.00 -0.13 -5.07 105.19 114.16 1xkp n GLY 208 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1xkp n GLY 208 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xkp s TYR 209 N 0.26 2.90 -0.32 1.61 5.04 -1.12 -4.82 117.35 120.90 1xkp s TYR 209 Ca 0.22 0.92 0.04 0.00 -2.44 0.00 0.00 57.07 55.81 1xkp s TYR 209 Cb 0.31 -3.93 0.12 0.00 0.35 0.00 0.00 41.96 38.81 1xkp s TYR 209 CO -0.06 -3.06 1.10 1.04 -1.34 0.00 0.00 175.55 173.23 1xkp n GLN 210 N 2.26 2.92 0.00 4.97 1.13 -1.26 -5.10 117.38 122.29 1xkp n GLN 210 Ca 0.07 -1.73 0.00 0.00 -1.94 0.00 0.00 57.00 53.40 1xkp n GLN 210 Cb 0.39 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.63 1xkp n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xkp n GLY 211 N -0.18 0.68 0.23 1.08 0.00 -1.26 -4.54 105.19 101.21 1xkp n GLY 211 Ca 0.05 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 1xkp n GLY 211 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xkp h ILE 212 N 0.00 1.29 -0.39 -0.61 2.10 -1.98 -1.57 117.51 116.35 1xkp h ILE 212 Ca 0.00 -1.74 -0.12 0.00 1.08 0.00 0.00 64.86 64.07 1xkp h ILE 212 Cb 0.00 1.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.45 1xkp h ILE 212 CO 0.00 0.56 -0.26 1.88 -1.08 0.00 0.00 178.15 179.25 1xkp h TYR 213 N 0.57 0.93 -0.40 2.19 0.05 -2.00 -2.66 116.97 115.64 1xkp h TYR 213 Ca 0.00 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.52 1xkp h TYR 213 Cb 1.16 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.67 1xkp h TYR 213 CO 0.08 0.98 0.13 0.00 -1.05 0.00 0.00 178.16 178.29 1xkp h ALA 214 N 1.01 0.53 -0.20 3.88 0.00 -1.76 -2.07 119.26 120.65 1xkp h ALA 214 Ca 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1xkp h ALA 214 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xkp h ALA 214 CO 0.07 0.17 -0.22 0.97 0.00 0.00 0.00 179.25 180.23 1xkp h ILE 215 N 0.51 1.24 -0.06 0.00 2.10 -1.26 0.32 117.51 120.36 1xkp h ILE 215 Ca 0.13 -1.13 -0.01 0.00 1.08 0.00 0.00 64.86 64.94 1xkp h ILE 215 Cb 0.26 1.34 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 1xkp h ILE 215 CO -0.00 0.35 0.01 -0.25 -1.08 0.00 0.00 178.15 177.18 1xkp h TRP 216 N 0.32 0.11 -0.73 2.19 2.91 -1.32 0.12 115.95 119.55 1xkp h TRP 216 Ca 0.05 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.15 1xkp h TRP 216 Cb 0.57 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.13 1xkp h TRP 216 CO 0.01 0.31 0.38 1.03 -1.03 0.00 0.00 178.44 179.14 1xkp h SER 217 N -0.12 0.52 -0.65 2.65 0.87 -1.07 -1.31 113.55 114.43 1xkp h SER 217 Ca 0.02 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1xkp h SER 217 Cb 0.25 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1xkp h SER 217 CO 0.00 0.30 0.32 0.44 -0.53 0.00 0.00 176.83 177.36 1xkp h ASP 218 N 0.65 0.85 -0.88 6.23 3.32 -0.56 -2.51 116.42 123.53 1xkp h ASP 218 Ca 0.35 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1xkp h ASP 218 Cb 0.34 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1xkp h ASP 218 CO -0.25 0.73 0.54 -0.07 -1.72 0.00 0.00 179.24 178.47 1xkp h LEU 219 N 0.90 1.05 -1.45 1.55 3.38 -0.18 0.13 115.31 120.69 1xkp h LEU 219 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xkp h LEU 219 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xkp h LEU 219 CO -0.03 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.30 1xkp n GLN 220 N -4.42 0.43 0.00 1.13 1.13 -0.55 -0.78 117.38 114.32 1xkp n GLN 220 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1xkp n GLN 220 Cb 0.05 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1xkp n GLN 220 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xkp n ARG 222 N 0.51 0.00 -2.64 -1.09 1.74 0.45 -2.56 116.66 113.07 1xkp n ARG 222 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 1xkp n ARG 222 Cb 0.16 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.61 1xkp n ARG 222 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xkp n PHE 223 N 0.00 2.20 0.25 -1.55 3.72 0.04 -4.92 117.46 117.19 1xkp n PHE 223 Ca 0.00 -3.07 0.07 0.00 -0.05 0.00 0.00 57.45 54.41 1xkp n PHE 223 Cb 0.00 -0.26 0.59 0.00 -0.94 0.00 0.00 39.48 38.87 1xkp n PHE 223 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1xkp h PRO 224 N 2.82 0.00 -0.13 -1.08 0.13 -1.69 -2.19 132.00 129.86 1xkp h PRO 224 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1xkp h PRO 224 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1xkp h PRO 224 CO 0.66 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 1xkp n ASN 225 N -4.40 2.62 -2.02 1.44 3.02 -1.26 -5.03 115.26 109.62 1xkp n ASN 225 Ca -0.03 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1xkp n ASN 225 Cb 0.16 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1xkp n ASN 225 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xkp n GLY 226 N -0.46 0.12 2.95 7.41 0.00 -0.82 -5.01 105.19 109.37 1xkp n GLY 226 Ca 0.10 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1xkp n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xkp s ASP 227 N -1.00 4.35 0.39 1.61 -1.08 -1.26 -4.98 116.67 114.70 1xkp s ASP 227 Ca 0.00 -3.06 0.14 0.00 -0.52 0.00 0.00 52.55 49.11 1xkp s ASP 227 Cb 0.00 -1.64 0.81 0.00 -1.46 0.00 0.00 42.92 40.63 1xkp s ASP 227 CO 0.00 -0.22 1.87 0.40 0.52 0.00 0.00 175.17 177.73 1xkp h ILE 228 N 5.43 1.19 -0.82 4.11 2.04 -1.96 -1.95 117.51 125.55 1xkp h ILE 228 Ca -0.07 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 1xkp h ILE 228 Cb 0.88 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1xkp h ILE 228 CO 0.69 0.32 0.49 -0.78 0.00 0.00 0.00 178.15 178.87 1xkp h ASP 229 N 0.00 0.98 -0.37 1.72 3.58 -1.98 0.79 116.42 121.15 1xkp h ASP 229 Ca -0.00 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.27 1xkp h ASP 229 Cb 0.59 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1xkp h ASP 229 CO 0.04 0.76 -0.17 -1.28 -2.88 0.00 0.00 179.24 175.71 1xkp h SER 230 N 1.12 0.85 -0.21 2.28 0.87 -1.81 -1.33 113.55 115.32 1xkp h SER 230 Ca 0.29 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xkp h SER 230 Cb -0.04 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1xkp h SER 230 CO -0.05 1.01 0.14 0.58 -0.53 0.00 0.00 176.83 177.98 1xkp h VAL 231 N 0.74 1.05 -0.46 2.23 2.07 -0.83 -0.91 116.25 120.14 1xkp h VAL 231 Ca 0.11 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1xkp h VAL 231 Cb 0.70 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1xkp h VAL 231 CO 0.05 0.05 0.12 0.40 0.02 0.00 0.00 177.57 178.22 1xkp h ILE 232 N 0.28 0.79 -0.66 4.57 2.04 -0.60 -0.22 117.51 123.71 1xkp h ILE 232 Ca 0.08 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1xkp h ILE 232 Cb -0.03 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1xkp h ILE 232 CO -0.02 0.05 0.30 0.25 0.00 0.00 0.00 178.15 178.73 1xkp h LEU 233 N 0.27 0.89 -0.71 1.44 5.85 -1.14 -0.11 115.31 121.80 1xkp h LEU 233 Ca 0.23 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1xkp h LEU 233 Cb 0.27 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1xkp h LEU 233 CO -0.27 0.79 0.38 0.15 -0.34 0.00 0.00 178.44 179.15 1xkp h PHE 234 N 0.92 0.70 -0.27 1.25 3.57 -0.58 -2.74 116.94 119.78 1xkp h PHE 234 Ca 0.22 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1xkp h PHE 234 Cb 0.16 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1xkp h PHE 234 CO 0.01 0.30 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.31 1xkp h LEU 235 N 0.68 0.48 -0.81 0.59 3.38 -0.59 -2.03 115.31 117.01 1xkp h LEU 235 Ca 0.33 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xkp h LEU 235 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xkp h LEU 235 CO -0.22 0.68 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1xkp n GLN 236 N -4.59 0.00 0.00 1.13 6.02 -0.09 -0.29 117.38 119.56 1xkp n GLN 236 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1xkp n GLN 236 Cb 0.26 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.56 1xkp n GLN 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xkp n ALA 238 N 0.27 0.00 0.08 -1.58 0.00 -0.76 -1.21 120.51 117.31 1xkp n ALA 238 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1xkp n ALA 238 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1xkp n ALA 238 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xkp h LEU 239 N 0.00 0.28 -0.62 0.00 3.38 -0.91 -1.51 115.31 115.93 1xkp h LEU 239 Ca 0.00 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1xkp h LEU 239 Cb 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xkp h LEU 239 CO 0.00 0.72 -0.41 0.28 0.09 0.00 0.00 178.44 179.12 1xkp h SER 240 N 0.21 0.65 -0.27 -0.43 0.02 -1.36 -0.85 113.55 111.52 1xkp h SER 240 Ca 0.01 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1xkp h SER 240 Cb 0.93 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1xkp h SER 240 CO 0.08 0.98 0.17 0.00 -1.14 0.00 0.00 176.83 176.92 1xkp h ALA 241 N 1.04 0.34 -0.97 3.77 0.00 -1.74 -2.40 119.26 119.31 1xkp h ALA 241 Ca 0.04 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1xkp h ALA 241 Cb 0.93 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 1xkp h ALA 241 CO 0.08 -0.17 0.58 -0.44 0.00 0.00 0.00 179.25 179.31 1xkp h ASP 242 N 0.35 0.78 -0.16 0.00 5.19 -0.94 -2.33 116.42 119.31 1xkp h ASP 242 Ca 0.10 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.50 1xkp h ASP 242 Cb -0.01 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1xkp h ASP 242 CO -0.02 0.33 -0.17 0.25 -3.12 0.00 0.00 179.24 176.52 1xkp h LEU 243 N 0.81 0.56 -2.40 1.55 5.85 -0.68 -2.51 115.31 118.50 1xkp h LEU 243 Ca 0.53 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 1xkp h LEU 243 Cb 0.72 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1xkp h LEU 243 CO -0.34 0.75 -0.02 1.56 -0.34 0.00 0.00 178.44 180.05 1xkp h GLN 244 N 0.52 0.00 -0.01 1.25 1.08 -1.00 -2.40 115.11 114.54 1xkp h GLN 244 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1xkp h GLN 244 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1xkp h GLN 244 CO 0.04 0.02 -0.38 -1.13 -0.95 0.00 0.00 178.83 176.42 1xkp n SER 245 N -3.20 1.67 -4.57 1.46 3.41 -0.95 -4.94 113.62 106.49 1xkp n SER 245 Ca -0.02 -1.33 -0.43 0.00 -0.26 0.00 0.00 58.87 56.83 1xkp n SER 245 Cb 0.16 0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1xkp n SER 245 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1xkp s GLN 246 N -2.04 3.60 -0.19 4.33 2.00 -0.90 -4.91 119.66 121.55 1xkp s GLN 246 Ca 0.14 0.13 0.16 0.00 -2.00 0.00 0.00 55.36 53.79 1xkp s GLN 246 Cb 0.14 -3.87 0.76 0.00 0.80 0.00 0.00 33.01 30.85 1xkp s GLN 246 CO 0.45 -0.98 1.69 1.04 -0.50 0.00 0.00 175.29 176.99 1xkp n GLN 247 N 6.57 4.38 -0.02 1.67 6.02 -1.26 -4.67 117.38 130.08 1xkp n GLN 247 Ca 0.03 -3.05 -0.19 0.00 -0.01 0.00 0.00 57.00 53.78 1xkp n GLN 247 Cb 0.48 -2.11 -0.13 0.00 1.02 0.00 0.00 30.24 29.49 1xkp n GLN 247 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xkp h SER 248 N 3.81 0.24 0.00 1.08 0.87 -1.94 -3.49 113.55 114.12 1xkp h SER 248 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1xkp h SER 248 Cb 1.77 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1xkp h SER 248 CO 0.39 1.34 0.00 0.61 -0.53 0.00 0.00 176.83 178.64 1xkp n GLY 249 N 1.64 1.94 0.26 5.77 0.00 -1.26 -4.70 105.19 108.83 1xkp n GLY 249 Ca -0.18 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1xkp n GLY 249 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xkp h SER 250 N 0.00 0.90 -0.48 1.61 4.64 -1.99 -2.22 113.55 116.00 1xkp h SER 250 Ca 0.00 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1xkp h SER 250 Cb 0.00 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 1xkp h SER 250 CO 0.00 1.00 0.10 1.23 -0.87 0.00 0.00 176.83 178.29 1xkp h GLY 251 N 0.77 0.85 1.00 -0.77 0.00 -1.96 -2.99 103.07 99.96 1xkp h GLY 251 Ca 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1xkp h GLY 251 CO 0.03 0.51 0.35 3.21 0.00 0.00 0.00 176.54 180.64 1xkp h ARG 252 N 0.66 0.97 -0.66 4.80 3.08 -1.82 -2.65 114.38 118.76 1xkp h ARG 252 Ca 0.15 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1xkp h ARG 252 Cb 0.36 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1xkp h ARG 252 CO 0.01 0.75 0.00 0.39 -1.07 0.00 0.00 179.97 180.05 1xkp n GLU 253 N -4.48 0.24 0.00 0.04 1.02 -0.84 -0.96 120.64 115.67 1xkp n GLU 253 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1xkp n GLU 253 Cb 0.11 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1xkp n GLU 253 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xkp n LEU 255 N 0.52 0.00 -0.18 -4.62 4.77 -1.00 -1.74 117.00 114.75 1xkp n LEU 255 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1xkp n LEU 255 Cb 0.08 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1xkp n LEU 255 CO 0.00 0.00 0.87 1.23 -1.33 0.00 0.00 177.39 178.16 1xkp h GLY 256 N 0.00 0.62 0.59 -0.72 0.00 -1.31 -0.66 103.07 101.59 1xkp h GLY 256 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.40 1xkp h GLY 256 CO 0.00 -0.13 -0.01 -2.22 0.00 0.00 0.00 176.54 174.18 1xkp h ILE 257 N 0.17 0.81 -0.52 2.60 2.04 -1.61 0.99 117.51 121.98 1xkp h ILE 257 Ca 0.28 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 66.03 1xkp h ILE 257 Cb 0.42 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1xkp h ILE 257 CO -0.42 0.01 -0.00 0.58 0.00 0.00 0.00 178.15 178.32 1xkp h VAL 258 N 0.07 1.26 -0.32 1.67 2.07 -1.77 -0.23 116.25 119.01 1xkp h VAL 258 Ca 0.12 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1xkp h VAL 258 Cb 0.16 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1xkp h VAL 258 CO -0.21 0.39 0.19 0.40 0.02 0.00 0.00 177.57 178.35 1xkp h ILE 259 N 0.79 1.11 -0.59 4.57 2.04 -0.95 0.30 117.51 124.78 1xkp h ILE 259 Ca 0.15 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1xkp h ILE 259 Cb 0.53 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1xkp h ILE 259 CO 0.03 0.11 0.34 0.28 0.00 0.00 0.00 178.15 178.91 1xkp h SER 260 N 0.41 0.53 -0.43 1.72 0.02 -0.59 -2.49 113.55 112.71 1xkp h SER 260 Ca 0.11 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1xkp h SER 260 Cb 0.02 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1xkp h SER 260 CO -0.02 0.36 0.16 0.44 -1.14 0.00 0.00 176.83 176.63 1xkp h ASP 261 N 0.66 0.61 -0.76 3.07 3.32 -0.61 -2.85 116.42 119.85 1xkp h ASP 261 Ca 0.25 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1xkp h ASP 261 Cb 0.09 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1xkp h ASP 261 CO -0.14 0.63 0.50 -0.07 -1.72 0.00 0.00 179.24 178.44 1xkp h LEU 262 N 0.55 0.76 -1.27 1.55 3.38 -0.67 -1.39 115.31 118.23 1xkp h LEU 262 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xkp h LEU 262 Cb 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xkp h LEU 262 CO -0.01 0.50 0.00 1.67 0.09 0.00 0.00 178.44 180.70 1xkp n GLN 263 N -4.47 0.00 -2.46 1.13 -0.06 -0.96 -4.73 117.38 105.83 1xkp n GLN 263 Ca 0.11 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 55.06 1xkp n GLN 263 Cb 0.17 -1.11 -0.01 0.00 -4.06 0.00 0.00 30.24 25.23 1xkp n GLN 263 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1xkp n LEU 265 N 0.61 -0.12 0.00 1.69 4.77 -0.53 -4.94 117.00 118.49 1xkp n LEU 265 Ca 0.00 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1xkp n LEU 265 Cb 0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1xkp n LEU 265 CO 0.00 0.05 0.00 -0.62 -1.33 0.00 0.00 177.39 175.49 1xkp n GLU 267 N -1.31 0.00 0.06 3.23 4.71 -1.26 -4.27 120.64 121.81 1xkp n GLU 267 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.24 1xkp n GLU 267 Cb 0.08 0.00 0.46 0.00 -1.01 0.00 0.00 31.44 30.97 1xkp n GLU 267 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1xkp n PHE 268 N 0.00 0.49 -1.04 -0.32 3.72 -1.26 -5.30 117.46 113.75 1xkp n PHE 268 Ca 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1xkp n PHE 268 Cb 0.00 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 1xkp n PHE 268 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12