#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1y s THR 3 N 0.00 4.05 -0.17 0.55 -4.23 -1.26 0.43 115.64 115.01 3k1y s THR 3 Ca 0.00 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 3k1y s THR 3 Cb 0.00 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 3k1y s THR 3 CO 0.00 0.50 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.24 3k1y s LEU 4 N 0.25 2.64 -0.02 4.79 2.96 0.27 0.88 118.68 130.46 3k1y s LEU 4 Ca -0.02 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.38 3k1y s LEU 4 Cb -0.14 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 3k1y s LEU 4 CO 0.02 0.07 0.29 0.00 -1.32 0.00 0.00 176.35 175.42 3k1y s ALA 5 N 0.90 3.80 -0.05 5.97 0.00 -0.78 -1.56 121.76 130.04 3k1y s ALA 5 Ca -0.03 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3k1y s ALA 5 Cb -0.15 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.83 3k1y s ALA 5 CO -0.01 0.58 -0.07 0.08 0.00 0.00 0.00 175.76 176.35 3k1y s VAL 6 N -1.18 0.72 -0.22 0.00 1.01 -0.91 -1.04 120.40 118.77 3k1y s VAL 6 Ca 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 3k1y s VAL 6 Cb -0.14 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.56 3k1y s VAL 6 CO 0.13 0.26 -0.12 -0.63 0.00 0.00 0.00 175.10 174.74 3k1y s ILE 7 N 0.80 2.52 -0.11 2.22 1.09 0.07 0.11 121.20 127.90 3k1y s ILE 7 Ca -0.13 -1.02 0.02 0.00 -1.10 0.00 0.00 60.65 58.42 3k1y s ILE 7 Cb -0.15 -2.22 -0.01 0.00 -1.06 0.00 0.00 42.46 39.03 3k1y s ILE 7 CO 0.01 0.32 -0.18 -0.55 -0.10 0.00 0.00 174.94 174.44 3k1y s SER 8 N 1.30 3.61 -0.09 3.58 0.15 0.30 -0.74 113.70 121.81 3k1y s SER 8 Ca 0.01 -0.42 0.14 0.00 0.70 0.00 0.00 55.95 56.38 3k1y s SER 8 Cb -0.15 -1.49 0.47 0.00 -1.71 0.00 0.00 66.02 63.13 3k1y s SER 8 CO -0.08 0.17 1.39 0.00 1.20 0.00 0.00 173.24 175.92 3k1y n ALA 9 N 3.48 2.67 -0.86 5.45 0.00 -1.08 -1.86 120.51 128.31 3k1y n ALA 9 Ca -0.18 -1.68 -0.33 0.00 0.00 0.00 0.00 53.44 51.25 3k1y n ALA 9 Cb 0.53 -0.65 0.14 0.00 0.00 0.00 0.00 19.45 19.46 3k1y n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1y n GLY 10 N 0.24 -0.87 0.00 0.00 0.00 -1.26 -4.71 105.19 98.59 3k1y n GLY 10 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3k1y n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1y n LEU 11 N -2.82 0.00 -4.92 0.99 4.32 -1.26 -4.53 117.00 108.78 3k1y n LEU 11 Ca 0.11 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.83 3k1y n LEU 11 Cb 0.52 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.39 3k1y n LEU 11 CO 0.49 0.00 0.67 -0.44 -1.22 0.00 0.00 177.39 176.89 3k1y s SER 12 N -2.01 4.83 -0.14 -1.43 0.01 -1.26 -5.03 113.70 108.67 3k1y s SER 12 Ca 0.00 0.61 -0.04 0.00 1.31 0.00 0.00 55.95 57.83 3k1y s SER 12 Cb 0.00 -1.25 0.06 0.00 0.21 0.00 0.00 66.02 65.03 3k1y s SER 12 CO 0.00 -1.63 0.10 0.28 0.41 0.00 0.00 173.24 172.41 3k1y s THR 13 N -3.33 -0.13 0.77 1.44 -1.32 -1.26 -2.86 115.64 108.95 3k1y s THR 13 Ca 0.60 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.99 3k1y s THR 13 Cb -0.11 -0.46 0.05 0.00 -1.51 0.00 0.00 72.50 70.47 3k1y s THR 13 CO 0.46 -0.13 1.09 -2.16 -2.21 0.00 0.00 174.62 171.67 3k1y s PRO 14 N 2.18 2.28 -0.29 7.08 0.04 -1.26 -5.14 135.00 139.90 3k1y s PRO 14 Ca 0.03 1.10 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 3k1y s PRO 14 Cb -0.15 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 3k1y s PRO 14 CO -0.08 -1.60 0.15 0.45 0.04 0.00 0.00 177.00 175.96 3k1y s SER 15 N -3.47 5.67 0.57 6.66 0.15 -1.13 -4.95 113.70 117.20 3k1y s SER 15 Ca 0.61 -0.23 0.34 0.00 0.70 0.00 0.00 55.95 57.37 3k1y s SER 15 Cb -0.17 -2.04 1.68 0.00 -1.71 0.00 0.00 66.02 63.78 3k1y s SER 15 CO 0.56 -0.10 2.12 0.28 1.20 0.00 0.00 173.24 177.30 3k1y h SER 16 N 8.34 0.00 0.10 5.45 0.02 -2.00 -1.48 113.55 123.99 3k1y h SER 16 Ca -0.35 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.38 3k1y h SER 16 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 3k1y h SER 16 CO 0.58 0.06 -0.84 0.74 -1.14 0.00 0.00 176.83 176.23 3k1y h THR 17 N 0.00 1.33 -0.14 -2.27 2.02 -1.94 -2.66 112.91 109.26 3k1y h THR 17 Ca -0.00 -2.16 -0.14 0.00 0.77 0.00 0.00 66.41 64.88 3k1y h THR 17 Cb 0.30 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3k1y h THR 17 CO 0.01 0.66 -0.50 -0.09 0.37 0.00 0.00 175.52 175.97 3k1y h ARG 18 N 0.37 0.37 0.44 6.66 9.65 -1.76 -1.86 114.38 128.25 3k1y h ARG 18 Ca -0.06 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.58 3k1y h ARG 18 Cb 1.46 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 3k1y h ARG 18 CO 0.16 0.79 -0.21 1.96 2.80 0.00 0.00 179.97 185.46 3k1y h GLN 19 N 0.29 -0.57 -0.74 0.20 4.20 -1.18 0.30 115.11 117.60 3k1y h GLN 19 Ca 0.01 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3k1y h GLN 19 Cb 0.99 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 3k1y h GLN 19 CO 0.09 -0.34 0.23 0.97 -0.67 0.00 0.00 178.83 179.10 3k1y h ILE 20 N -0.66 1.26 -0.35 2.54 6.09 -1.51 -0.23 117.51 124.65 3k1y h ILE 20 Ca -0.06 -0.92 -0.01 0.00 -1.37 0.00 0.00 64.86 62.50 3k1y h ILE 20 Cb 0.49 0.45 -0.02 0.00 0.47 0.00 0.00 36.82 38.22 3k1y h ILE 20 CO 0.10 0.36 0.16 0.00 -3.07 0.00 0.00 178.15 175.70 3k1y h ALA 21 N 1.12 1.63 -0.03 0.18 0.00 -1.15 0.14 119.26 121.15 3k1y h ALA 21 Ca 0.24 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3k1y h ALA 21 Cb 0.32 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3k1y h ALA 21 CO -0.01 0.30 -0.38 -0.44 0.00 0.00 0.00 179.25 178.72 3k1y h ASP 22 N 0.48 0.39 -0.05 0.00 3.32 0.33 -0.95 116.42 119.95 3k1y h ASP 22 Ca 0.12 -0.72 0.01 0.00 0.02 0.00 0.00 57.03 56.47 3k1y h ASP 22 Cb 0.06 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3k1y h ASP 22 CO -0.02 1.05 0.05 0.28 -1.72 0.00 0.00 179.24 178.88 3k1y h SER 23 N -0.23 0.00 0.15 6.45 0.02 -0.68 0.11 113.55 119.36 3k1y h SER 23 Ca -0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3k1y h SER 23 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3k1y h SER 23 CO 0.08 0.00 -0.07 0.40 -1.14 0.00 0.00 176.83 176.10 3k1y h ILE 24 N 0.00 0.10 -0.35 3.27 1.08 -0.84 -2.99 117.51 117.78 3k1y h ILE 24 Ca 0.02 -0.92 0.07 0.00 -0.39 0.00 0.00 64.86 63.65 3k1y h ILE 24 Cb 0.12 0.19 -0.07 0.00 -3.07 0.00 0.00 36.82 33.99 3k1y h ILE 24 CO -0.00 0.03 -0.08 0.77 -0.69 0.00 0.00 178.15 178.19 3k1y h SER 25 N -1.04 -0.30 0.01 1.72 4.64 -0.75 -0.57 113.55 117.26 3k1y h SER 25 Ca -0.02 0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3k1y h SER 25 Cb 0.20 0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 3k1y h SER 25 CO 0.03 -0.11 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.13 3k1y h GLU 26 N 0.01 -0.56 -0.77 4.77 5.08 -0.95 0.37 114.58 122.53 3k1y h GLU 26 Ca 0.17 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.71 3k1y h GLU 26 Cb 0.25 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 3k1y h GLU 26 CO -0.35 -0.38 0.31 0.00 -1.00 0.00 0.00 179.01 177.59 3k1y h ALA 27 N -0.06 1.09 -0.20 3.43 0.00 -1.29 0.37 119.26 122.60 3k1y h ALA 27 Ca 0.04 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3k1y h ALA 27 Cb 0.66 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3k1y h ALA 27 CO -0.31 -0.22 0.11 0.28 0.00 0.00 0.00 179.25 179.10 3k1y h VAL 28 N 0.44 1.12 -0.44 0.00 2.07 0.18 -0.42 116.25 119.19 3k1y h VAL 28 Ca 0.43 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.72 3k1y h VAL 28 Cb 0.66 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 3k1y h VAL 28 CO -0.42 0.11 -0.17 0.74 0.02 0.00 0.00 177.57 177.86 3k1y h THR 29 N 0.21 0.46 0.79 2.57 2.02 0.16 0.14 112.91 119.27 3k1y h THR 29 Ca 0.07 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3k1y h THR 29 Cb 0.08 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3k1y h THR 29 CO -0.01 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.41 3k1y h ALA 30 N 1.30 -1.21 -0.87 6.16 0.00 -0.70 -2.39 119.26 121.54 3k1y h ALA 30 Ca 0.21 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 55.09 3k1y h ALA 30 Cb 0.40 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 3k1y h ALA 30 CO -0.49 -1.19 0.59 0.00 0.00 0.00 0.00 179.25 178.16 3k1y h ALA 31 N -1.06 2.39 0.00 0.00 0.00 -0.59 1.17 119.26 121.17 3k1y h ALA 31 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k1y h ALA 31 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k1y h ALA 31 CO 0.12 -0.66 0.00 0.28 0.00 0.00 0.00 179.25 178.99 3k1y n VAL 32 N -4.44 0.60 0.04 0.00 0.31 0.46 -3.07 118.33 112.22 3k1y n VAL 32 Ca 0.18 -0.07 -0.21 0.00 -0.01 0.00 0.00 64.34 64.23 3k1y n VAL 32 Cb 0.76 -0.75 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 3k1y n VAL 32 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3k1y h SER 33 N 0.00 0.48 0.36 4.52 0.87 0.19 -1.27 113.55 118.70 3k1y h SER 33 Ca 0.00 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 3k1y h SER 33 Cb 0.57 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3k1y h SER 33 CO 0.00 1.73 0.00 0.00 -0.53 0.00 0.00 176.83 178.03 3k1y n ALA 34 N -2.87 1.49 -0.46 6.23 0.00 -0.60 -0.17 120.51 124.13 3k1y n ALA 34 Ca -0.26 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.23 3k1y n ALA 34 Cb 1.06 -1.17 0.27 0.00 0.00 0.00 0.00 19.45 19.61 3k1y n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k1y n ARG 35 N -1.50 3.12 -2.57 0.00 1.74 -1.19 -4.97 116.66 111.28 3k1y n ARG 35 Ca 0.03 -2.55 -0.06 0.00 -0.77 0.00 0.00 57.85 54.50 3k1y n ARG 35 Cb 0.12 -1.60 0.01 0.00 -1.02 0.00 0.00 32.46 29.98 3k1y n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k1y n GLY 36 N 0.84 0.46 3.20 -0.13 0.00 0.76 -5.07 105.19 105.25 3k1y n GLY 36 Ca 0.20 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3k1y n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1y s GLU 37 N -5.01 0.68 0.06 1.61 2.02 -0.48 -5.01 118.70 112.57 3k1y s GLU 37 Ca 0.10 -0.48 -0.11 0.00 0.02 0.00 0.00 54.97 54.50 3k1y s GLU 37 Cb -0.05 0.29 -0.06 0.00 0.10 0.00 0.00 34.13 34.42 3k1y s GLU 37 CO 0.13 -0.20 0.39 0.00 0.02 0.00 0.00 175.26 175.60 3k1y s ALA 38 N -2.14 3.72 -0.08 5.21 0.00 -1.26 -3.34 121.76 123.86 3k1y s ALA 38 Ca -0.08 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3k1y s ALA 38 Cb -0.03 -2.29 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 3k1y s ALA 38 CO -0.01 0.55 -0.22 -1.17 0.00 0.00 0.00 175.76 174.91 3k1y s LEU 39 N -1.70 2.01 -0.40 0.00 0.20 -1.26 -1.90 118.68 115.62 3k1y s LEU 39 Ca 0.30 -0.50 -0.15 0.00 0.69 0.00 0.00 54.13 54.48 3k1y s LEU 39 Cb -0.14 -1.29 0.02 0.00 -0.43 0.00 0.00 46.19 44.35 3k1y s LEU 39 CO 0.17 0.16 0.31 -0.55 -0.29 0.00 0.00 176.35 176.14 3k1y s SER 40 N 0.28 6.12 -0.34 3.68 0.15 0.17 -4.97 113.70 118.78 3k1y s SER 40 Ca -0.15 -0.81 -0.13 0.00 0.70 0.00 0.00 55.95 55.56 3k1y s SER 40 Cb -0.16 -2.17 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3k1y s SER 40 CO 0.07 -0.44 0.25 0.54 1.20 0.00 0.00 173.24 174.85 3k1y s VAL 41 N 1.74 5.28 -0.39 4.45 0.11 -1.26 -0.56 120.40 129.78 3k1y s VAL 41 Ca 0.06 -0.22 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 3k1y s VAL 41 Cb -0.19 -3.72 0.10 0.00 -1.53 0.00 0.00 36.38 31.04 3k1y s VAL 41 CO 0.11 -0.02 0.16 -0.55 -3.33 0.00 0.00 175.10 171.47 3k1y s SER 42 N 1.72 5.17 -0.18 3.54 0.15 -0.60 -5.00 113.70 118.50 3k1y s SER 42 Ca 0.06 -1.93 -0.22 0.00 0.70 0.00 0.00 55.95 54.56 3k1y s SER 42 Cb -0.17 -1.80 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 3k1y s SER 42 CO 0.11 -0.49 0.68 -0.89 1.20 0.00 0.00 173.24 173.85 3k1y s THR 43 N 1.14 4.99 -0.17 6.45 2.01 -1.26 -2.14 115.64 126.66 3k1y s THR 43 Ca 0.07 1.30 -0.10 0.00 0.31 0.00 0.00 61.69 63.26 3k1y s THR 43 Cb -0.22 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 3k1y s THR 43 CO -0.04 0.10 0.18 -0.63 -0.69 0.00 0.00 174.62 173.54 3k1y s ILE 44 N 1.91 5.39 -0.31 1.82 1.09 0.31 -4.95 121.20 126.45 3k1y s ILE 44 Ca 0.31 0.30 -0.07 0.00 -1.10 0.00 0.00 60.65 60.10 3k1y s ILE 44 Cb -0.16 -3.50 0.02 0.00 -1.06 0.00 0.00 42.46 37.76 3k1y s ILE 44 CO 0.11 0.47 0.09 -1.61 -0.10 0.00 0.00 174.94 173.90 3k1y s GLU 45 N 0.05 2.91 0.52 2.79 0.41 -1.26 -0.53 118.70 123.58 3k1y s GLU 45 Ca 0.12 -0.98 0.27 0.00 -0.41 0.00 0.00 54.97 53.97 3k1y s GLU 45 Cb -0.12 -3.41 1.40 0.00 -1.78 0.00 0.00 34.13 30.23 3k1y s GLU 45 CO 0.01 -0.53 2.05 -0.07 -0.49 0.00 0.00 175.26 176.23 3k1y h LEU 46 N 8.23 0.00 -1.28 1.80 3.38 -1.70 -1.76 115.31 123.98 3k1y h LEU 46 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3k1y h LEU 46 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3k1y h LEU 46 CO 0.60 0.13 0.00 0.77 0.09 0.00 0.00 178.44 180.03 3k1y h SER 47 N 0.00 0.00 -0.50 -0.43 4.64 -1.81 -2.06 113.55 113.39 3k1y h SER 47 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k1y h SER 47 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3k1y h SER 47 CO 0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 3k1y n GLU 48 N -2.81 2.24 -0.11 4.77 1.02 -0.66 -3.84 120.64 121.24 3k1y n GLU 48 Ca 0.01 -1.91 0.04 0.00 -0.02 0.00 0.00 57.16 55.28 3k1y n GLU 48 Cb 0.27 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.32 3k1y n GLU 48 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k1y n LEU 49 N 1.06 1.61 -0.03 -4.62 4.77 -0.78 -4.89 117.00 114.12 3k1y n LEU 49 Ca 0.18 -2.10 -0.11 0.00 -0.03 0.00 0.00 56.01 53.95 3k1y n LEU 49 Cb 0.46 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3k1y n LEU 49 CO 0.13 0.50 0.50 0.40 -1.33 0.00 0.00 177.39 177.59 3k1y h ILE 50 N 1.49 0.00 -0.10 -0.08 1.08 -1.66 -0.75 117.51 117.49 3k1y h ILE 50 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 3k1y h ILE 50 Cb 0.92 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.67 3k1y h ILE 50 CO 0.00 0.00 0.13 1.55 -0.69 0.00 0.00 178.15 179.14 3k1y h PRO 51 N -0.39 0.00 0.01 2.37 0.13 -1.91 -2.50 132.00 129.70 3k1y h PRO 51 Ca 0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3k1y h PRO 51 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3k1y h PRO 51 CO -0.35 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 176.97 3k1y h ASP 52 N 0.00 -0.01 0.00 1.44 5.19 -1.67 -2.81 116.42 118.56 3k1y h ASP 52 Ca 0.05 -0.74 0.00 0.00 -0.62 0.00 0.00 57.03 55.72 3k1y h ASP 52 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3k1y h ASP 52 CO -0.00 0.75 0.00 0.18 -3.12 0.00 0.00 179.24 177.05 3k1y n LEU 53 N -4.73 0.00 0.00 1.55 7.99 -0.39 -1.52 117.00 119.90 3k1y n LEU 53 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 3k1y n LEU 53 Cb 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 3k1y n LEU 53 CO 0.32 0.00 0.00 0.41 -1.51 0.00 0.00 177.39 176.61 3k1y n THR 55 N 1.56 0.00 0.09 -5.08 -1.04 -1.06 -4.77 114.28 103.97 3k1y n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3k1y n THR 55 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3k1y n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k1y n ALA 56 N 0.00 2.31 0.00 2.41 0.00 -0.58 -0.21 120.51 124.44 3k1y n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k1y n ALA 56 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3k1y n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1y n THR 58 N 1.31 0.00 -4.50 0.00 -2.24 -1.26 -4.63 114.28 102.96 3k1y n THR 58 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 3k1y n THR 58 Cb 0.22 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 3k1y n THR 58 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3k1y s THR 59 N 0.00 2.26 -0.13 4.28 2.01 0.70 -5.07 115.64 119.70 3k1y s THR 59 Ca 0.00 -2.08 0.21 0.00 0.31 0.00 0.00 61.69 60.13 3k1y s THR 59 Cb 0.00 -2.78 -0.17 0.00 0.01 0.00 0.00 72.50 69.56 3k1y s THR 59 CO 0.00 -0.14 0.70 -2.11 -0.69 0.00 0.00 174.62 172.38 3k1y n ARG 60 N -0.89 0.64 -3.92 4.92 1.85 -1.26 -4.93 116.66 113.06 3k1y n ARG 60 Ca -0.05 0.01 -0.35 0.00 -1.00 0.00 0.00 57.85 56.46 3k1y n ARG 60 Cb 0.64 -1.68 -0.06 0.00 -1.05 0.00 0.00 32.46 30.31 3k1y n ARG 60 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3k1y s VAL 61 N -3.26 5.40 0.91 8.89 1.01 -1.26 -5.02 120.40 127.08 3k1y s VAL 61 Ca -0.05 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 3k1y s VAL 61 Cb 0.11 -3.42 0.16 0.00 0.00 0.00 0.00 36.38 33.23 3k1y s VAL 61 CO 0.84 0.50 1.27 -1.00 0.00 0.00 0.00 175.10 176.71 3k1y s HIS 62 N -1.14 2.04 0.37 5.22 3.76 -1.26 -4.60 115.29 119.69 3k1y s HIS 62 Ca 0.20 0.47 0.07 0.00 -0.15 0.00 0.00 55.06 55.65 3k1y s HIS 62 Cb -0.12 -3.90 -0.02 0.00 1.11 0.00 0.00 32.58 29.66 3k1y s HIS 62 CO 0.10 -2.38 0.39 0.95 -0.85 0.00 0.00 174.74 172.95 3k1y s THR 63 N -3.77 3.30 0.09 1.30 -4.23 -1.26 -4.92 115.64 106.16 3k1y s THR 63 Ca 0.70 -1.25 -0.36 0.00 -1.18 0.00 0.00 61.69 59.61 3k1y s THR 63 Cb -0.06 -3.14 -0.16 0.00 1.34 0.00 0.00 72.50 70.47 3k1y s THR 63 CO 0.52 -0.10 1.56 0.74 -0.54 0.00 0.00 174.62 176.80 3k1y h THR 64 N 1.04 0.00 -0.61 3.99 2.02 -1.99 0.39 112.91 117.76 3k1y h THR 64 Ca -0.43 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.86 3k1y h THR 64 Cb 1.26 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.55 3k1y h THR 64 CO 0.55 0.00 -0.26 0.50 0.37 0.00 0.00 175.52 176.69 3k1y h LYS 65 N -0.90 -0.09 -0.40 6.66 3.64 -1.98 0.22 116.57 123.72 3k1y h LYS 65 Ca -0.04 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3k1y h LYS 65 Cb 0.83 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 3k1y h LYS 65 CO -0.17 -0.06 0.09 1.25 -2.27 0.00 0.00 179.45 178.29 3k1y h LEU 66 N -0.10 0.60 -1.71 5.20 5.85 -1.89 -2.14 115.31 121.13 3k1y h LEU 66 Ca 0.27 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3k1y h LEU 66 Cb 0.52 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3k1y h LEU 66 CO -0.67 0.68 -0.15 -0.08 -0.34 0.00 0.00 178.44 177.89 3k1y h GLU 67 N 0.50 0.00 0.00 1.25 4.57 0.11 -1.34 114.58 119.67 3k1y h GLU 67 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3k1y h GLU 67 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3k1y h GLU 67 CO 0.00 0.15 -0.28 0.93 -1.18 0.00 0.00 179.01 178.63 3k1y h GLU 68 N 0.00 0.00 0.00 1.92 5.08 -0.43 -3.06 114.58 118.10 3k1y h GLU 68 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3k1y h GLU 68 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3k1y h GLU 68 CO 0.02 0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 178.77 3k1y h ILE 69 N 0.00 1.34 -0.71 3.13 1.08 -0.60 -3.07 117.51 118.67 3k1y h ILE 69 Ca 0.00 -2.03 0.04 0.00 -0.39 0.00 0.00 64.86 62.48 3k1y h ILE 69 Cb 0.87 2.56 -0.05 0.00 -3.07 0.00 0.00 36.82 37.13 3k1y h ILE 69 CO 0.00 0.45 0.43 0.71 -0.69 0.00 0.00 178.15 179.06 3k1y h THR 70 N -1.00 1.05 -0.08 -0.27 1.35 -1.45 0.65 112.91 113.16 3k1y h THR 70 Ca -0.02 -0.28 0.02 0.00 -0.55 0.00 0.00 66.41 65.58 3k1y h THR 70 Cb 0.80 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 3k1y h THR 70 CO -0.01 0.15 -0.04 0.28 -0.25 0.00 0.00 175.52 175.65 3k1y h SER 71 N 0.83 -0.12 -0.00 5.36 0.02 -1.67 0.10 113.55 118.06 3k1y h SER 71 Ca 0.30 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 3k1y h SER 71 Cb 0.09 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3k1y h SER 71 CO -0.14 -0.05 -0.06 0.00 -1.14 0.00 0.00 176.83 175.44 3k1y h ALA 72 N 1.05 1.67 0.47 3.77 0.00 -1.34 -2.37 119.26 122.51 3k1y h ALA 72 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3k1y h ALA 72 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k1y h ALA 72 CO -0.10 0.25 -0.22 1.25 0.00 0.00 0.00 179.25 180.42 3k1y h LEU 73 N 0.18 -0.53 0.00 0.00 5.85 0.12 -2.34 115.31 118.60 3k1y h LEU 73 Ca 0.04 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3k1y h LEU 73 Cb 0.23 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3k1y h LEU 73 CO 0.01 -0.16 0.00 -1.20 -0.34 0.00 0.00 178.44 176.75 3k1y n SER 74 N -5.24 0.00 -0.09 1.25 7.64 0.26 -1.73 113.62 115.71 3k1y n SER 74 Ca -0.10 0.20 0.04 0.00 1.01 0.00 0.00 58.87 60.02 3k1y n SER 74 Cb 0.30 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 3k1y n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k1y n ALA 75 N -1.27 3.01 -1.27 -0.43 0.00 -0.91 -4.99 120.51 114.65 3k1y n ALA 75 Ca 0.02 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 3k1y n ALA 75 Cb 0.04 -0.33 0.10 0.00 0.00 0.00 0.00 19.45 19.26 3k1y n ALA 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1y s SER 76 N -1.62 4.23 -0.10 0.00 0.01 -0.71 -4.93 113.70 110.59 3k1y s SER 76 Ca 0.05 1.68 -0.17 0.00 1.31 0.00 0.00 55.95 58.83 3k1y s SER 76 Cb 0.07 -2.39 -0.27 0.00 0.21 0.00 0.00 66.02 63.64 3k1y s SER 76 CO 0.31 -2.19 0.59 0.44 0.41 0.00 0.00 173.24 172.80 3k1y h ASP 77 N -1.23 0.37 -0.34 2.44 3.32 0.16 -3.48 116.42 117.65 3k1y h ASP 77 Ca -0.46 -0.86 -0.67 0.00 0.02 0.00 0.00 57.03 55.07 3k1y h ASP 77 Cb 1.25 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3k1y h ASP 77 CO 0.53 1.58 -0.48 -0.83 -1.72 0.00 0.00 179.24 178.32 3k1y s GLY 78 N -4.89 2.95 -0.09 2.75 0.00 -0.88 -4.15 107.32 103.01 3k1y s GLY 78 Ca -0.19 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 3k1y s GLY 78 CO 0.77 -2.17 0.70 -2.27 0.00 0.00 0.00 173.10 170.13 3k1y s LEU 79 N -3.94 -0.67 -0.03 0.66 2.96 -0.90 -1.88 118.68 114.88 3k1y s LEU 79 Ca 0.09 0.84 -0.00 0.00 -0.22 0.00 0.00 54.13 54.84 3k1y s LEU 79 Cb 0.01 2.51 0.03 0.00 0.50 0.00 0.00 46.19 49.23 3k1y s LEU 79 CO 0.05 -0.54 0.01 -0.69 -1.32 0.00 0.00 176.35 173.87 3k1y s VAL 80 N -0.90 0.13 -0.13 1.68 1.01 -0.21 -1.85 120.40 120.14 3k1y s VAL 80 Ca -0.09 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3k1y s VAL 80 Cb -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 3k1y s VAL 80 CO 0.08 0.15 -0.18 0.68 0.00 0.00 0.00 175.10 175.83 3k1y s VAL 81 N 1.25 2.54 0.07 2.92 -7.23 -0.68 -0.75 120.40 118.52 3k1y s VAL 81 Ca -0.07 -0.84 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 3k1y s VAL 81 Cb -0.13 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3k1y s VAL 81 CO -0.02 0.54 -0.16 0.00 -0.31 0.00 0.00 175.10 175.14 3k1y s ALA 82 N 0.49 1.38 -0.04 1.32 0.00 0.08 -0.75 121.76 124.24 3k1y s ALA 82 Ca -0.12 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 3k1y s ALA 82 Cb -0.16 -0.17 0.08 0.00 0.00 0.00 0.00 23.12 22.87 3k1y s ALA 82 CO 0.05 0.24 0.73 -0.08 0.00 0.00 0.00 175.76 176.70 3k1y s THR 83 N -1.13 0.00 0.96 0.00 -1.32 -1.13 -2.63 115.64 110.38 3k1y s THR 83 Ca 0.02 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.35 3k1y s THR 83 Cb -0.10 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.07 3k1y s THR 83 CO 0.03 0.00 1.21 -2.84 -2.21 0.00 0.00 174.62 170.81 3k1y s PRO 84 N -1.56 0.74 -0.38 7.08 0.02 -1.26 -1.97 135.00 137.67 3k1y s PRO 84 Ca -0.08 -0.08 0.01 0.00 0.02 0.00 0.00 61.00 60.88 3k1y s PRO 84 Cb -0.00 -1.83 0.11 0.00 0.02 0.00 0.00 34.50 32.80 3k1y s PRO 84 CO 0.05 -2.40 0.13 0.08 -0.33 0.00 0.00 177.00 174.53 3k1y s VAL 85 N -3.54 2.75 -0.15 3.83 1.01 -1.21 -3.90 120.40 119.19 3k1y s VAL 85 Ca 0.69 -2.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.34 3k1y s VAL 85 Cb -0.09 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3k1y s VAL 85 CO 0.53 -0.65 0.05 -0.36 0.00 0.00 0.00 175.10 174.67 3k1y s PHE 86 N 0.95 3.26 -1.45 5.22 0.40 -0.44 -4.46 117.98 121.46 3k1y s PHE 86 Ca 0.10 0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.45 3k1y s PHE 86 Cb -0.21 -2.00 0.05 0.00 0.51 0.00 0.00 43.02 41.37 3k1y s PHE 86 CO -0.06 0.28 1.00 1.63 0.70 0.00 0.00 175.22 178.77 3k1y n LYS 87 N 3.06 -6.37 -2.34 0.44 4.76 -1.26 -2.31 118.16 114.15 3k1y n LYS 87 Ca -0.17 0.72 -0.19 0.00 -2.87 0.00 0.00 58.31 55.80 3k1y n LYS 87 Cb 0.53 -5.67 -0.01 0.00 -1.84 0.00 0.00 35.03 28.03 3k1y n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k1y n ALA 88 N -4.64 -0.55 -3.32 7.82 0.00 -1.26 -4.95 120.51 113.62 3k1y n ALA 88 Ca 0.01 0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.61 3k1y n ALA 88 Cb 0.55 -2.03 0.01 0.00 0.00 0.00 0.00 19.45 17.98 3k1y n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1y n SER 89 N -1.60 -0.83 -4.74 0.00 2.88 -0.98 -4.90 113.62 103.46 3k1y n SER 89 Ca -0.22 -1.54 -0.30 0.00 -1.33 0.00 0.00 58.87 55.47 3k1y n SER 89 Cb 0.67 1.38 0.12 0.00 -0.75 0.00 0.00 64.21 65.63 3k1y n SER 89 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3k1y s TYR 90 N -5.85 2.40 0.47 0.66 -0.85 -1.26 -1.33 117.35 111.59 3k1y s TYR 90 Ca 0.07 1.38 -0.23 0.00 -0.52 0.00 0.00 57.07 57.76 3k1y s TYR 90 Cb -0.02 -3.12 -0.07 0.00 0.38 0.00 0.00 41.96 39.13 3k1y s TYR 90 CO 0.04 -2.18 1.22 0.99 -1.52 0.00 0.00 175.55 174.10 3k1y s THR 91 N -2.92 2.83 0.13 -3.49 2.01 -1.25 -4.58 115.64 108.37 3k1y s THR 91 Ca 0.63 0.64 -0.11 0.00 0.31 0.00 0.00 61.69 63.15 3k1y s THR 91 Cb -0.18 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 3k1y s THR 91 CO 0.57 0.00 1.44 1.23 -0.69 0.00 0.00 174.62 177.17 3k1y h GLY 92 N 2.00 0.99 1.01 4.40 0.00 -1.94 -0.31 103.07 109.23 3k1y h GLY 92 Ca -0.50 -1.08 0.02 0.00 0.00 0.00 0.00 47.33 45.77 3k1y h GLY 92 CO 0.60 0.97 0.64 -2.00 0.00 0.00 0.00 176.54 176.75 3k1y h LEU 93 N 0.72 1.10 -0.07 3.11 5.85 -1.97 -1.88 115.31 122.18 3k1y h LEU 93 Ca 0.04 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3k1y h LEU 93 Cb 1.05 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3k1y h LEU 93 CO 0.11 0.79 0.03 0.15 -0.34 0.00 0.00 178.44 179.17 3k1y h PHE 94 N 1.29 0.10 0.00 1.25 3.57 -1.84 -2.81 116.94 118.50 3k1y h PHE 94 Ca 0.36 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3k1y h PHE 94 Cb -0.11 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3k1y h PHE 94 CO -0.00 0.18 0.00 1.17 -2.23 0.00 0.00 178.31 177.43 3k1y n LYS 95 N -4.97 0.26 0.00 1.11 3.00 -0.15 -3.28 118.16 114.13 3k1y n LYS 95 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 3k1y n LYS 95 Cb 0.09 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.75 3k1y n LYS 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3k1y n PHE 97 N 1.27 0.00 0.06 5.64 7.35 -1.06 -0.99 117.46 129.73 3k1y n PHE 97 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3k1y n PHE 97 Cb 0.13 0.00 0.20 0.00 0.35 0.00 0.00 39.48 40.16 3k1y n PHE 97 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3k1y h PHE 98 N 0.00 0.41 -0.17 -5.13 0.04 -1.86 -2.57 116.94 107.66 3k1y h PHE 98 Ca 0.00 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 3k1y h PHE 98 Cb 0.00 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 3k1y h PHE 98 CO 0.00 0.68 0.01 -0.44 -0.60 0.00 0.00 178.31 177.97 3k1y h ASP 99 N 0.29 0.21 1.28 2.17 3.32 -1.37 -2.38 116.42 119.95 3k1y h ASP 99 Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3k1y h ASP 99 Cb 0.80 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3k1y h ASP 99 CO 0.06 0.25 0.00 0.40 -1.72 0.00 0.00 179.24 178.23 3k1y h ILE 100 N 0.24 0.00 -4.26 0.35 5.03 -1.73 -3.46 117.51 113.69 3k1y h ILE 100 Ca 0.06 -0.48 -0.50 0.00 -0.12 0.00 0.00 64.86 63.81 3k1y h ILE 100 Cb 0.14 1.40 0.09 0.00 -3.03 0.00 0.00 36.82 35.42 3k1y h ILE 100 CO 0.00 0.00 0.37 -0.76 -0.68 0.00 0.00 178.15 177.08 3k1y s LEU 101 N -4.93 3.31 0.55 1.44 1.43 -0.90 -5.04 118.68 114.55 3k1y s LEU 101 Ca 0.07 1.78 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 3k1y s LEU 101 Cb 0.10 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 3k1y s LEU 101 CO 0.54 -1.44 1.02 -1.81 0.23 0.00 0.00 176.35 174.89 3k1y s ASP 102 N -3.15 6.23 0.16 2.29 1.01 -1.26 -4.96 116.67 116.99 3k1y s ASP 102 Ca 0.62 1.69 -0.25 0.00 0.71 0.00 0.00 52.55 55.32 3k1y s ASP 102 Cb -0.16 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.26 3k1y s ASP 102 CO 0.46 -0.86 1.41 0.41 0.21 0.00 0.00 175.17 176.80 3k1y n THR 103 N -1.78 -0.59 -0.85 -1.27 -1.04 -1.26 -1.18 114.28 106.31 3k1y n THR 103 Ca 0.08 2.20 -0.21 0.00 -2.04 0.00 0.00 64.05 64.07 3k1y n THR 103 Cb 0.53 -2.76 0.11 0.00 -1.82 0.00 0.00 70.33 66.40 3k1y n THR 103 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3k1y n ASP 104 N -5.20 4.78 0.16 8.00 5.75 -1.26 -4.60 116.55 124.19 3k1y n ASP 104 Ca 0.04 -3.31 0.01 0.00 -0.01 0.00 0.00 54.79 51.51 3k1y n ASP 104 Cb 0.27 -0.85 0.26 0.00 -1.03 0.00 0.00 41.12 39.77 3k1y n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k1y h ALA 105 N 1.41 1.13 0.00 2.12 0.00 -1.52 -3.31 119.26 119.09 3k1y h ALA 105 Ca 0.48 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3k1y h ALA 105 Cb 1.91 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 3k1y h ALA 105 CO 0.98 0.63 -0.33 1.28 0.00 0.00 0.00 179.25 181.81 3k1y n LEU 106 N -3.88 1.48 -4.64 0.00 4.77 -1.26 -4.31 117.00 109.17 3k1y n LEU 106 Ca -0.01 -2.39 -0.43 0.00 -0.03 0.00 0.00 56.01 53.15 3k1y n LEU 106 Cb 0.53 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3k1y n LEU 106 CO 0.40 0.62 1.69 0.41 -1.33 0.00 0.00 177.39 179.19 3k1y n THR 107 N -0.74 0.62 -0.98 -5.08 -1.04 -1.25 -3.88 114.28 101.93 3k1y n THR 107 Ca 0.10 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3k1y n THR 107 Cb 0.71 -2.39 0.00 0.00 -1.82 0.00 0.00 70.33 66.83 3k1y n THR 107 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k1y n GLY 108 N 4.99 -1.86 2.98 3.41 0.00 -0.63 -4.96 105.19 109.13 3k1y n GLY 108 Ca 0.24 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3k1y n GLY 108 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1y s PRO 110 N -0.54 1.14 -0.01 1.61 0.02 -1.26 -4.63 135.00 131.32 3k1y s PRO 110 Ca 0.00 -0.28 -0.06 0.00 0.02 0.00 0.00 61.00 60.68 3k1y s PRO 110 Cb 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 34.50 33.50 3k1y s PRO 110 CO 0.00 0.04 0.13 0.99 -0.33 0.00 0.00 177.00 177.83 3k1y s THR 111 N 0.52 0.06 -0.09 0.99 2.01 0.60 -2.12 115.64 117.61 3k1y s THR 111 Ca -0.09 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3k1y s THR 111 Cb -0.12 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 3k1y s THR 111 CO 0.01 -0.27 -0.09 -0.63 -0.69 0.00 0.00 174.62 172.96 3k1y s ILE 112 N -0.92 3.49 -0.05 1.82 -1.09 -0.77 -0.71 121.20 122.97 3k1y s ILE 112 Ca -0.10 -0.54 0.05 0.00 -2.23 0.00 0.00 60.65 57.83 3k1y s ILE 112 Cb -0.06 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 3k1y s ILE 112 CO 0.01 0.57 -0.18 0.27 -1.23 0.00 0.00 174.94 174.38 3k1y s ILE 113 N -0.38 2.75 0.13 2.92 -4.36 -1.26 -1.68 121.20 119.32 3k1y s ILE 113 Ca 0.05 -0.84 -0.09 0.00 -0.26 0.00 0.00 60.65 59.51 3k1y s ILE 113 Cb -0.12 -2.05 -0.00 0.00 1.25 0.00 0.00 42.46 41.53 3k1y s ILE 113 CO 0.02 0.58 0.25 0.00 0.24 0.00 0.00 174.94 176.04 3k1y s ALA 114 N -0.59 -0.13 0.16 2.27 0.00 0.07 -1.15 121.76 122.38 3k1y s ALA 114 Ca 0.09 -0.74 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 3k1y s ALA 114 Cb -0.11 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.75 3k1y s ALA 114 CO 0.01 -0.59 0.46 0.00 0.00 0.00 0.00 175.76 175.63 3k1y s ALA 115 N -3.92 -0.93 -0.07 0.00 0.00 -0.51 -2.86 121.76 113.47 3k1y s ALA 115 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 3k1y s ALA 115 Cb 0.04 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.98 3k1y s ALA 115 CO -0.05 -0.72 0.15 -0.08 0.00 0.00 0.00 175.76 175.06 3k1y s THR 116 N -3.84 -0.09 0.35 0.00 -1.32 -0.83 -0.60 115.64 109.30 3k1y s THR 116 Ca 0.06 0.22 0.04 0.00 -1.21 0.00 0.00 61.69 60.80 3k1y s THR 116 Cb 0.01 -0.25 -0.01 0.00 -1.51 0.00 0.00 72.50 70.73 3k1y s THR 116 CO -0.08 0.09 0.38 0.00 -2.21 0.00 0.00 174.62 172.80 3k1y s ALA 117 N 1.41 1.44 0.00 11.08 0.00 -1.00 -3.36 121.76 131.32 3k1y s ALA 117 Ca -0.07 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3k1y s ALA 117 Cb -0.12 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.34 3k1y s ALA 117 CO -0.06 -0.72 0.49 0.41 0.00 0.00 0.00 175.76 175.88 3k1y n GLY 118 N -0.62 -1.46 0.25 0.00 0.00 -1.26 -1.72 105.19 100.39 3k1y n GLY 118 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 3k1y n GLY 118 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1y n SER 119 N -1.52 0.01 -0.21 1.61 3.41 -1.26 -2.67 113.62 113.00 3k1y n SER 119 Ca 0.00 -1.03 0.04 0.00 -0.26 0.00 0.00 58.87 57.62 3k1y n SER 119 Cb 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3k1y n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1y n ALA 120 N -3.05 2.76 0.05 7.33 0.00 -1.26 -4.62 120.51 121.71 3k1y n ALA 120 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.03 3k1y n ALA 120 Cb 0.04 -0.31 0.13 0.00 0.00 0.00 0.00 19.45 19.31 3k1y n ALA 120 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3k1y n ARG 121 N -0.25 0.03 -0.28 0.00 1.85 -1.26 -0.27 116.66 116.48 3k1y n ARG 121 Ca 0.04 0.45 0.08 0.00 -1.00 0.00 0.00 57.85 57.41 3k1y n ARG 121 Cb 0.19 -1.73 0.19 0.00 -1.05 0.00 0.00 32.46 30.06 3k1y n ARG 121 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3k1y n HIS 122 N -1.61 0.58 0.33 2.89 8.25 -1.26 -4.71 115.22 119.70 3k1y n HIS 122 Ca -0.00 -0.80 0.22 0.00 -0.26 0.00 0.00 57.72 56.88 3k1y n HIS 122 Cb 0.13 -0.21 1.18 0.00 1.12 0.00 0.00 29.99 32.22 3k1y n HIS 122 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3k1y h SER 123 N 1.31 0.00 0.25 0.41 4.64 -0.97 -1.98 113.55 117.22 3k1y h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k1y h SER 123 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3k1y h SER 123 CO 0.12 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.26 3k1y n LEU 124 N -3.04 0.00 0.31 5.97 4.77 -1.26 -2.66 117.00 121.09 3k1y n LEU 124 Ca -0.03 0.24 0.19 0.00 -0.03 0.00 0.00 56.01 56.38 3k1y n LEU 124 Cb 0.08 -0.24 1.03 0.00 -2.33 0.00 0.00 43.42 41.95 3k1y n LEU 124 CO 0.20 -0.11 1.12 1.62 -1.33 0.00 0.00 177.39 178.89 3k1y h VAL 125 N 0.00 0.22 0.18 4.08 3.04 -1.70 -0.87 116.25 121.20 3k1y h VAL 125 Ca 0.00 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 3k1y h VAL 125 Cb 0.13 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3k1y h VAL 125 CO 0.00 0.02 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.42 3k1y h LEU 126 N 0.00 -0.21 0.00 3.16 3.38 -1.77 -2.01 115.31 117.86 3k1y h LEU 126 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3k1y h LEU 126 Cb 0.10 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3k1y h LEU 126 CO 0.00 0.15 -0.58 0.44 0.09 0.00 0.00 178.44 178.55 3k1y h ASP 127 N -0.59 0.00 -0.15 -0.43 3.32 -1.71 0.98 116.42 117.83 3k1y h ASP 127 Ca -0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3k1y h ASP 127 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3k1y h ASP 127 CO 0.04 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.35 3k1y n TYR 128 N -2.74 0.18 0.10 4.55 4.01 -0.36 -4.32 117.16 118.57 3k1y n TYR 128 Ca 0.02 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3k1y n TYR 128 Cb 0.53 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3k1y n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k1y n ALA 129 N 0.94 3.00 -0.01 -0.72 0.00 -0.93 -4.86 120.51 117.93 3k1y n ALA 129 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 3k1y n ALA 129 Cb 0.43 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 3k1y n ALA 129 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k1y h LEU 130 N 0.00 0.91 0.42 0.00 4.07 -1.33 -2.78 115.31 116.60 3k1y h LEU 130 Ca 0.00 -0.65 -0.01 0.00 0.08 0.00 0.00 57.88 57.30 3k1y h LEU 130 Cb 0.00 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 3k1y h LEU 130 CO 0.00 1.42 -0.29 -0.09 -1.08 0.00 0.00 178.44 178.40 3k1y h ARG 131 N 0.46 -0.67 -0.85 1.13 2.43 -1.04 0.22 114.38 116.07 3k1y h ARG 131 Ca -0.07 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3k1y h ARG 131 Cb 1.43 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 31.05 3k1y h ARG 131 CO 0.16 -0.44 0.49 -1.35 -1.51 0.00 0.00 179.97 177.31 3k1y h PRO 132 N -0.69 0.76 0.72 0.20 0.11 -1.75 0.77 132.00 132.12 3k1y h PRO 132 Ca -0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3k1y h PRO 132 Cb 0.58 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3k1y h PRO 132 CO 0.03 0.51 -0.40 1.25 -0.21 0.00 0.00 178.00 179.17 3k1y h LEU 133 N 0.79 -0.98 -1.09 2.35 5.85 -1.12 0.21 115.31 121.32 3k1y h LEU 133 Ca 0.42 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 59.14 3k1y h LEU 133 Cb 0.43 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3k1y h LEU 133 CO -0.27 -0.64 0.10 -0.07 -0.34 0.00 0.00 178.44 177.22 3k1y h LEU 134 N -1.04 0.69 -0.57 2.25 -0.00 -0.14 -2.71 115.31 113.80 3k1y h LEU 134 Ca -0.09 -0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.59 3k1y h LEU 134 Cb 0.82 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 3k1y h LEU 134 CO 0.13 0.70 0.05 0.28 -0.00 0.00 0.00 178.44 179.60 3k1y h SER 135 N 0.72 0.94 0.00 -0.43 0.02 0.72 -1.85 113.55 113.67 3k1y h SER 135 Ca 0.16 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3k1y h SER 135 Cb 0.30 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3k1y h SER 135 CO 0.00 0.99 0.02 0.00 -1.14 0.00 0.00 176.83 176.70 3k1y n TYR 136 N -4.29 0.00 -2.30 3.45 9.36 0.73 -4.04 117.16 120.07 3k1y n TYR 136 Ca 0.02 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.26 3k1y n TYR 136 Cb 0.30 -0.23 0.01 0.00 -0.63 0.00 0.00 39.34 38.79 3k1y n TYR 136 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3k1y n ARG 138 N 1.93 0.00 -2.55 2.98 1.74 -1.21 -5.11 116.66 114.44 3k1y n ARG 138 Ca 0.00 -1.59 -0.32 0.00 -0.77 0.00 0.00 57.85 55.18 3k1y n ARG 138 Cb 0.00 -0.16 -0.04 0.00 -1.02 0.00 0.00 32.46 31.25 3k1y n ARG 138 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k1y s ALA 139 N 0.00 3.14 -0.41 7.54 0.00 -0.70 -1.60 121.76 129.73 3k1y s ALA 139 Ca 0.21 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 3k1y s ALA 139 Cb 0.24 -3.01 0.06 0.00 0.00 0.00 0.00 23.12 20.40 3k1y s ALA 139 CO -0.10 -0.14 0.26 0.54 0.00 0.00 0.00 175.76 176.32 3k1y s VAL 140 N -2.52 4.54 -0.29 0.00 0.11 -1.26 -4.45 120.40 116.53 3k1y s VAL 140 Ca 0.57 -1.13 -0.17 0.00 -2.93 0.00 0.00 61.98 58.32 3k1y s VAL 140 Cb -0.10 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 3k1y s VAL 140 CO 0.30 -0.41 0.49 -0.69 -3.33 0.00 0.00 175.10 171.45 3k1y s VAL 141 N 1.51 5.07 0.46 2.04 1.01 -1.26 -0.29 120.40 128.94 3k1y s VAL 141 Ca 0.03 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 3k1y s VAL 141 Cb -0.22 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 3k1y s VAL 141 CO 0.05 -0.01 1.18 1.33 0.00 0.00 0.00 175.10 177.65 3k1y n VAL 142 N 5.25 2.82 -0.34 2.92 0.24 0.11 -4.84 118.33 124.49 3k1y n VAL 142 Ca -0.05 -0.50 0.17 0.00 -2.04 0.00 0.00 64.34 61.92 3k1y n VAL 142 Cb 0.50 -1.42 0.39 0.00 -1.47 0.00 0.00 33.84 31.84 3k1y n VAL 142 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3k1y h PRO 143 N 1.66 0.59 -6.44 7.34 0.11 -1.97 -3.38 132.00 129.92 3k1y h PRO 143 Ca -0.47 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 3k1y h PRO 143 Cb 1.32 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3k1y h PRO 143 CO 0.58 0.39 1.06 0.99 -0.21 0.00 0.00 178.00 180.81 3k1y s THR 144 N -5.73 3.83 0.34 -1.15 2.01 -1.26 -5.01 115.64 108.68 3k1y s THR 144 Ca -0.10 0.68 -0.05 0.00 0.31 0.00 0.00 61.69 62.52 3k1y s THR 144 Cb 0.26 -4.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 3k1y s THR 144 CO 0.80 -1.38 0.63 -0.83 -0.69 0.00 0.00 174.62 173.15 3k1y s GLY 145 N 3.89 1.76 -0.25 4.40 0.00 -1.26 -4.67 107.32 111.19 3k1y s GLY 145 Ca 0.46 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.68 3k1y s GLY 145 CO 0.23 -0.40 -0.12 0.14 0.00 0.00 0.00 173.10 172.94 3k1y s VAL 146 N -2.26 2.14 -0.32 1.40 1.01 -0.30 -5.00 120.40 117.07 3k1y s VAL 146 Ca 0.45 -1.51 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3k1y s VAL 146 Cb -0.10 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.14 3k1y s VAL 146 CO 0.33 0.07 0.03 0.12 0.00 0.00 0.00 175.10 175.64 3k1y s PHE 147 N 1.14 3.34 -0.61 5.22 5.36 -1.26 -1.43 117.98 129.74 3k1y s PHE 147 Ca -0.07 -2.03 -0.24 0.00 -0.96 0.00 0.00 56.93 53.63 3k1y s PHE 147 Cb -0.19 -2.30 0.05 0.00 -0.34 0.00 0.00 43.02 40.24 3k1y s PHE 147 CO -0.06 -0.84 1.01 0.00 -1.46 0.00 0.00 175.22 173.87 3k1y s ALA 148 N 1.21 3.08 -0.88 11.12 0.00 0.23 -4.96 121.76 131.56 3k1y s ALA 148 Ca -0.03 -1.39 -0.17 0.00 0.00 0.00 0.00 51.96 50.37 3k1y s ALA 148 Cb -0.20 -3.87 0.16 0.00 0.00 0.00 0.00 23.12 19.21 3k1y s ALA 148 CO -0.02 -2.64 0.99 0.00 0.00 0.00 0.00 175.76 174.09 3k1y s ALA 149 N 4.31 3.61 0.58 0.00 0.00 -1.26 -2.37 121.76 126.63 3k1y s ALA 149 Ca 0.30 -2.93 0.16 0.00 0.00 0.00 0.00 51.96 49.48 3k1y s ALA 149 Cb -0.13 -3.85 0.54 0.00 0.00 0.00 0.00 23.12 19.68 3k1y s ALA 149 CO 0.17 -2.72 1.11 2.41 0.00 0.00 0.00 175.76 176.72 3k1y n THR 150 N 4.98 0.00 0.02 0.00 -1.04 -0.70 0.02 114.28 117.57 3k1y n THR 150 Ca 0.19 1.09 -0.10 0.00 -2.04 0.00 0.00 64.05 63.19 3k1y n THR 150 Cb 0.48 -2.02 -0.13 0.00 -1.82 0.00 0.00 70.33 66.84 3k1y n THR 150 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3k1y h GLU 151 N 0.00 0.05 -0.87 -2.82 5.08 -1.76 -3.32 114.58 110.95 3k1y h GLU 151 Ca 0.29 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3k1y h GLU 151 Cb 2.43 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.71 3k1y h GLU 151 CO -0.00 0.79 0.00 -0.25 -1.00 0.00 0.00 179.01 178.55 3k1y n ASP 152 N -3.23 1.55 -4.84 1.42 8.00 0.10 -4.88 116.55 114.67 3k1y n ASP 152 Ca -0.12 -2.12 -0.31 0.00 0.71 0.00 0.00 54.79 52.95 3k1y n ASP 152 Cb 1.01 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.64 3k1y n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3k1y s PHE 153 N -1.29 3.38 0.54 1.24 0.08 -1.25 -3.21 117.98 117.47 3k1y s PHE 153 Ca 0.07 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.51 3k1y s PHE 153 Cb 0.05 -2.81 0.00 0.00 -0.57 0.00 0.00 43.02 39.70 3k1y s PHE 153 CO 0.02 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.72 3k1y n GLY 154 N -2.13 -3.48 5.82 4.36 0.00 -1.26 -4.64 105.19 103.86 3k1y n GLY 154 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3k1y n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1y n GLY 155 N -3.62 -1.48 0.24 -0.02 0.00 -1.26 -2.73 105.19 96.31 3k1y n GLY 155 Ca -0.06 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 3k1y n GLY 155 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k1y h PRO 156 N 0.00 -0.52 -0.28 1.61 0.11 -1.95 -2.08 132.00 128.90 3k1y h PRO 156 Ca 0.00 0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.18 3k1y h PRO 156 Cb 0.00 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3k1y h PRO 156 CO 0.00 -0.25 0.19 0.93 -0.21 0.00 0.00 178.00 178.66 3k1y h GLU 157 N -0.73 0.22 -0.25 1.05 5.08 -1.85 0.85 114.58 118.96 3k1y h GLU 157 Ca -0.06 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3k1y h GLU 157 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3k1y h GLU 157 CO 0.09 0.15 -0.22 0.78 -1.00 0.00 0.00 179.01 178.80 3k1y h GLY 158 N 0.23 0.50 0.79 -3.84 0.00 -1.33 -1.59 103.07 97.82 3k1y h GLY 158 Ca 0.12 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3k1y h GLY 158 CO -0.02 0.36 -0.13 0.00 0.00 0.00 0.00 176.54 176.74 3k1y h ALA 159 N 1.35 0.26 -0.78 3.60 0.00 -0.15 -2.76 119.26 120.78 3k1y h ALA 159 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3k1y h ALA 159 Cb 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3k1y h ALA 159 CO 0.04 0.13 0.49 0.93 0.00 0.00 0.00 179.25 180.84 3k1y h GLU 160 N 0.08 1.05 -0.66 0.00 4.39 -1.16 -2.88 114.58 115.39 3k1y h GLU 160 Ca 0.03 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 3k1y h GLU 160 Cb 0.65 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 3k1y h GLU 160 CO 0.04 0.72 0.08 0.35 -1.16 0.00 0.00 179.01 179.03 3k1y h PHE 161 N 1.07 1.19 -0.36 4.33 3.57 -1.18 -2.23 116.94 123.34 3k1y h PHE 161 Ca 0.28 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3k1y h PHE 161 Cb -0.07 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 3k1y h PHE 161 CO 0.00 1.01 0.08 -0.91 -2.23 0.00 0.00 178.31 176.26 3k1y h ASN 162 N 1.04 0.48 -0.17 0.41 2.35 -1.28 -2.26 115.58 116.15 3k1y h ASN 162 Ca 0.20 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3k1y h ASN 162 Cb 0.48 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3k1y h ASN 162 CO 0.02 0.50 0.04 0.11 -1.65 0.00 0.00 177.43 176.44 3k1y h LYS 163 N 0.52 0.28 -0.98 0.81 6.56 -1.37 -2.60 116.57 119.79 3k1y h LYS 163 Ca 0.12 -0.07 0.15 0.00 -1.06 0.00 0.00 60.65 59.79 3k1y h LYS 163 Cb 0.22 -0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 31.75 3k1y h LYS 163 CO -0.00 0.44 0.60 -0.09 -2.06 0.00 0.00 179.45 178.33 3k1y h ARG 164 N 0.08 0.83 -0.83 3.15 2.43 -0.92 0.29 114.38 119.41 3k1y h ARG 164 Ca 0.05 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3k1y h ARG 164 Cb 0.29 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3k1y h ARG 164 CO 0.00 0.55 0.45 0.82 -1.51 0.00 0.00 179.97 180.28 3k1y h ILE 165 N 0.85 1.25 -0.52 1.20 2.04 -1.14 -1.92 117.51 119.26 3k1y h ILE 165 Ca 0.53 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 3k1y h ILE 165 Cb 0.69 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3k1y h ILE 165 CO -0.33 0.28 -0.13 0.00 0.00 0.00 0.00 178.15 177.97 3k1y h ALA 166 N 1.24 0.72 -0.14 1.87 0.00 -0.18 -0.28 119.26 122.49 3k1y h ALA 166 Ca 0.29 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3k1y h ALA 166 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3k1y h ALA 166 CO -0.05 0.64 -0.01 -0.09 0.00 0.00 0.00 179.25 179.75 3k1y h ARG 167 N 0.87 0.03 -0.46 0.00 2.43 -0.49 0.35 114.38 117.11 3k1y h ARG 167 Ca 0.13 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3k1y h ARG 167 Cb 0.70 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3k1y h ARG 167 CO 0.05 0.02 0.19 0.00 -1.51 0.00 0.00 179.97 178.72 3k1y h ALA 168 N 1.12 0.60 0.06 2.80 0.00 -1.26 -0.88 119.26 121.70 3k1y h ALA 168 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3k1y h ALA 168 Cb 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3k1y h ALA 168 CO -0.12 0.21 -0.28 0.00 0.00 0.00 0.00 179.25 179.06 3k1y h ALA 169 N 1.03 -0.44 -0.65 0.00 0.00 -0.55 -0.82 119.26 117.83 3k1y h ALA 169 Ca 0.15 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3k1y h ALA 169 Cb 0.19 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 3k1y h ALA 169 CO -0.01 -0.81 0.24 0.78 0.00 0.00 0.00 179.25 179.45 3k1y h GLY 170 N -0.46 0.92 0.53 0.00 0.00 -0.06 0.06 103.07 104.05 3k1y h GLY 170 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3k1y h GLY 170 CO -0.21 -0.05 -0.26 0.83 0.00 0.00 0.00 176.54 176.86 3k1y h GLU 171 N 0.41 -0.44 -0.70 4.80 5.08 -0.37 -2.12 114.58 121.24 3k1y h GLU 171 Ca 0.34 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.68 3k1y h GLU 171 Cb 0.45 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3k1y h GLU 171 CO -0.34 -0.29 0.25 1.25 -1.00 0.00 0.00 179.01 178.87 3k1y h LEU 172 N -0.46 0.99 -0.28 1.33 5.85 -0.73 -3.01 115.31 118.99 3k1y h LEU 172 Ca 0.03 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3k1y h LEU 172 Cb 0.49 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3k1y h LEU 172 CO -0.16 0.91 -0.13 0.00 -0.34 0.00 0.00 178.44 178.73 3k1y h ALA 173 N 1.11 0.11 -0.52 1.25 0.00 -0.69 0.27 119.26 120.79 3k1y h ALA 173 Ca 0.23 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.34 3k1y h ALA 173 Cb 0.25 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3k1y h ALA 173 CO -0.01 -0.52 0.11 0.77 0.00 0.00 0.00 179.25 179.59 3k1y h SER 174 N -0.08 0.01 -0.73 0.00 0.02 -1.27 0.41 113.55 111.91 3k1y h SER 174 Ca 0.15 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3k1y h SER 174 Cb 0.30 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 3k1y h SER 174 CO -0.34 0.03 0.30 -0.07 -1.14 0.00 0.00 176.83 175.61 3k1y h LEU 175 N 0.25 1.01 0.14 5.07 4.07 -1.20 -1.21 115.31 123.44 3k1y h LEU 175 Ca 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 3k1y h LEU 175 Cb 0.36 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3k1y h LEU 175 CO -0.34 0.90 -0.07 0.40 -1.08 0.00 0.00 178.44 178.25 3k1y h ILE 176 N 1.08 0.99 0.00 1.22 2.04 0.15 -2.94 117.51 120.05 3k1y h ILE 176 Ca 0.25 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3k1y h ILE 176 Cb 0.20 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3k1y h ILE 176 CO -0.02 0.15 0.00 -0.37 0.00 0.00 0.00 178.15 177.91 3k1y h VAL 177 N -0.50 0.00 0.00 1.67 -1.51 -0.22 -2.14 116.25 113.54 3k1y h VAL 177 Ca -0.02 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.11 3k1y h VAL 177 Cb 0.39 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3k1y h VAL 177 CO 0.03 0.00 -0.04 -0.08 -1.23 0.00 0.00 177.57 176.26 3k1y h GLU 178 N 0.00 0.00 -6.51 5.19 4.81 -1.11 -3.44 114.58 113.52 3k1y h GLU 178 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 3k1y h GLU 178 Cb 0.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3k1y h GLU 178 CO 0.00 0.04 0.36 -1.21 -0.73 0.00 0.00 179.01 177.47 3k1y s GLU 179 N -3.22 4.65 0.00 1.92 2.02 -0.81 -5.09 118.70 118.18 3k1y s GLU 179 Ca 0.06 1.43 0.19 0.00 0.02 0.00 0.00 54.97 56.68 3k1y s GLU 179 Cb 0.05 -3.41 0.15 0.00 0.10 0.00 0.00 34.13 31.03 3k1y s GLU 179 CO 0.67 0.12 1.10 0.45 0.02 0.00 0.00 175.26 177.62