#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 3.40 -0.17 0.55 -4.23 -1.26 -0.37 115.64 113.56 3k1y s THR 3 Ca 0.00 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3k1y s THR 3 Cb 0.00 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.46 3k1y s THR 3 CO 0.00 0.56 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.23 3k1y s LEU 4 N -0.35 2.18 0.03 4.79 2.96 -0.77 0.18 118.68 127.69 3k1y s LEU 4 Ca 0.04 -0.62 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 3k1y s LEU 4 Cb -0.12 -1.49 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 3k1y s LEU 4 CO 0.02 0.02 0.50 0.00 -1.32 0.00 0.00 176.35 175.57 3k1y s ALA 5 N 1.17 3.62 -0.10 5.97 0.00 0.68 -1.96 121.76 131.14 3k1y s ALA 5 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 3k1y s ALA 5 Cb -0.14 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.47 3k1y s ALA 5 CO -0.09 0.39 -0.07 0.08 0.00 0.00 0.00 175.76 176.07 3k1y s VAL 6 N -0.93 0.95 -0.22 0.00 1.01 -0.99 -0.90 120.40 119.32 3k1y s VAL 6 Ca 0.27 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 3k1y s VAL 6 Cb -0.18 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3k1y s VAL 6 CO 0.16 0.35 0.05 -0.63 0.00 0.00 0.00 175.10 175.03 3k1y s ILE 7 N 1.59 4.39 -0.08 2.22 -1.09 0.66 -0.05 121.20 128.85 3k1y s ILE 7 Ca 0.02 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3k1y s ILE 7 Cb -0.13 -3.02 0.01 0.00 -1.58 0.00 0.00 42.46 37.75 3k1y s ILE 7 CO -0.06 0.39 -0.14 -0.55 -1.23 0.00 0.00 174.94 173.35 3k1y s SER 8 N 1.10 2.05 -0.24 3.58 0.15 -0.72 -0.50 113.70 119.13 3k1y s SER 8 Ca 0.04 -0.35 0.12 0.00 0.70 0.00 0.00 55.95 56.46 3k1y s SER 8 Cb -0.14 -0.93 0.51 0.00 -1.71 0.00 0.00 66.02 63.74 3k1y s SER 8 CO 0.03 0.04 1.44 0.00 1.20 0.00 0.00 173.24 175.94 3k1y n ALA 9 N 3.91 3.71 -0.88 5.45 0.00 -1.02 -1.64 120.51 130.05 3k1y n ALA 9 Ca -0.21 -2.79 -0.29 0.00 0.00 0.00 0.00 53.44 50.14 3k1y n ALA 9 Cb 0.52 -0.72 0.19 0.00 0.00 0.00 0.00 19.45 19.43 3k1y n ALA 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1y s GLY 10 N -2.31 1.60 0.00 0.00 0.00 -1.26 -4.62 107.32 100.73 3k1y s GLY 10 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3k1y s GLY 10 CO 0.04 0.57 0.00 1.04 0.00 0.00 0.00 173.10 174.74 3k1y n LEU 11 N -4.35 0.00 -4.95 0.66 4.32 -1.26 -4.49 117.00 106.93 3k1y n LEU 11 Ca 0.06 -0.22 -0.20 0.00 -0.02 0.00 0.00 56.01 55.63 3k1y n LEU 11 Cb 0.55 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3k1y n LEU 11 CO 0.55 0.00 0.11 -0.44 -1.22 0.00 0.00 177.39 176.40 3k1y s SER 12 N -0.47 5.17 -0.10 -1.43 0.01 -1.26 -5.08 113.70 110.53 3k1y s SER 12 Ca 0.00 -0.75 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 3k1y s SER 12 Cb 0.00 -0.29 0.05 0.00 0.21 0.00 0.00 66.02 65.99 3k1y s SER 12 CO 0.00 -0.88 0.16 0.42 0.41 0.00 0.00 173.24 173.36 3k1y s THR 13 N -2.52 -0.26 0.71 1.44 -4.23 -1.26 -2.97 115.64 106.56 3k1y s THR 13 Ca 0.51 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 61.13 3k1y s THR 13 Cb -0.05 -0.36 0.03 0.00 1.34 0.00 0.00 72.50 73.46 3k1y s THR 13 CO 0.30 0.08 1.20 -2.16 -0.54 0.00 0.00 174.62 173.50 3k1y s PRO 14 N 2.29 2.29 -0.26 3.99 0.04 -1.26 -5.15 135.00 136.94 3k1y s PRO 14 Ca 0.04 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 3k1y s PRO 14 Cb -0.13 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 3k1y s PRO 14 CO -0.07 -1.71 0.11 0.45 0.04 0.00 0.00 177.00 175.82 3k1y s SER 15 N -2.05 5.43 0.32 6.66 0.15 -1.16 -4.98 113.70 118.07 3k1y s SER 15 Ca 0.74 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 57.27 3k1y s SER 15 Cb -0.28 -1.99 0.54 0.00 -1.71 0.00 0.00 66.02 62.58 3k1y s SER 15 CO 0.44 -0.05 1.83 0.28 1.20 0.00 0.00 173.24 176.94 3k1y h SER 16 N 8.28 0.49 -0.36 5.45 0.02 -1.99 -1.15 113.55 124.28 3k1y h SER 16 Ca -0.37 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 3k1y h SER 16 Cb 1.18 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3k1y h SER 16 CO 0.57 0.61 0.09 0.74 -1.14 0.00 0.00 176.83 177.70 3k1y h THR 17 N 0.48 1.23 -0.41 -2.27 2.02 -1.94 0.41 112.91 112.42 3k1y h THR 17 Ca 0.09 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3k1y h THR 17 Cb 0.43 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3k1y h THR 17 CO 0.02 0.26 0.09 -0.09 0.37 0.00 0.00 175.52 176.17 3k1y h ARG 18 N 0.44 0.67 0.23 6.66 9.65 -1.91 -0.59 114.38 129.52 3k1y h ARG 18 Ca 0.11 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3k1y h ARG 18 Cb 0.31 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 3k1y h ARG 18 CO 0.00 0.70 -0.44 1.96 2.80 0.00 0.00 179.97 184.99 3k1y h GLN 19 N 0.53 -0.72 0.00 0.20 4.20 -0.86 0.43 115.11 118.89 3k1y h GLN 19 Ca 0.13 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3k1y h GLN 19 Cb 0.34 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3k1y h GLN 19 CO 0.00 -0.48 -0.12 0.97 -0.67 0.00 0.00 178.83 178.54 3k1y h ILE 20 N -0.75 1.02 -0.08 2.54 6.09 -0.88 -1.91 117.51 123.53 3k1y h ILE 20 Ca -0.00 -0.41 -0.17 0.00 -1.37 0.00 0.00 64.86 62.91 3k1y h ILE 20 Cb 0.73 1.22 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 3k1y h ILE 20 CO -0.19 0.11 -0.66 0.00 -3.07 0.00 0.00 178.15 174.34 3k1y h ALA 21 N 1.88 0.71 -0.27 0.18 0.00 -0.08 -2.50 119.26 119.18 3k1y h ALA 21 Ca -0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.15 3k1y h ALA 21 Cb 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3k1y h ALA 21 CO 0.02 0.75 -0.55 -0.44 0.00 0.00 0.00 179.25 179.02 3k1y h ASP 22 N 0.25 0.93 -0.22 0.00 3.32 0.55 -1.54 116.42 119.70 3k1y h ASP 22 Ca -0.02 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 3k1y h ASP 22 Cb 1.20 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 3k1y h ASP 22 CO 0.11 1.29 0.08 0.28 -1.72 0.00 0.00 179.24 179.28 3k1y h SER 23 N 0.64 0.38 0.20 6.45 0.02 -1.32 0.54 113.55 120.46 3k1y h SER 23 Ca 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3k1y h SER 23 Cb 1.16 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3k1y h SER 23 CO 0.12 0.39 -0.10 0.40 -1.14 0.00 0.00 176.83 176.51 3k1y h ILE 24 N 0.42 0.00 -1.00 3.27 1.08 -1.24 -2.61 117.51 117.43 3k1y h ILE 24 Ca 0.10 -0.17 0.21 0.00 -0.39 0.00 0.00 64.86 64.62 3k1y h ILE 24 Cb 0.16 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.80 3k1y h ILE 24 CO -0.00 0.00 0.59 0.77 -0.69 0.00 0.00 178.15 178.82 3k1y h SER 25 N -0.44 0.72 0.33 1.72 4.64 -1.17 0.13 113.55 119.49 3k1y h SER 25 Ca -0.03 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3k1y h SER 25 Cb 0.21 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3k1y h SER 25 CO 0.05 0.19 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.51 3k1y h GLU 26 N 0.67 -0.70 -0.72 4.77 5.08 0.02 -0.81 114.58 122.89 3k1y h GLU 26 Ca 0.61 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 3k1y h GLU 26 Cb 1.04 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 3k1y h GLU 26 CO -0.43 -0.47 0.46 0.00 -1.00 0.00 0.00 179.01 177.58 3k1y h ALA 27 N -0.27 1.45 -0.75 3.43 0.00 -0.74 -1.50 119.26 120.89 3k1y h ALA 27 Ca -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3k1y h ALA 27 Cb 0.67 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3k1y h ALA 27 CO -0.08 0.49 0.48 0.28 0.00 0.00 0.00 179.25 180.43 3k1y h VAL 28 N 0.99 1.14 -0.49 0.00 2.07 -0.27 0.22 116.25 119.90 3k1y h VAL 28 Ca 0.26 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3k1y h VAL 28 Cb -0.09 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3k1y h VAL 28 CO -0.05 0.18 0.08 0.74 0.02 0.00 0.00 177.57 178.53 3k1y h THR 29 N 0.96 1.22 -0.22 2.57 2.02 -0.18 0.61 112.91 119.90 3k1y h THR 29 Ca 0.29 -0.84 -0.15 0.00 0.77 0.00 0.00 66.41 66.48 3k1y h THR 29 Cb -0.03 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3k1y h THR 29 CO -0.09 0.31 -0.47 0.00 0.37 0.00 0.00 175.52 175.63 3k1y h ALA 30 N 1.35 0.76 -0.03 6.16 0.00 -0.47 -2.10 119.26 124.94 3k1y h ALA 30 Ca 0.16 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 3k1y h ALA 30 Cb 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3k1y h ALA 30 CO 0.00 0.67 -0.96 0.00 0.00 0.00 0.00 179.25 178.97 3k1y h ALA 31 N 1.02 0.25 -0.64 0.00 0.00 -0.14 -1.54 119.26 118.21 3k1y h ALA 31 Ca 0.03 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 3k1y h ALA 31 Cb 1.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3k1y h ALA 31 CO 0.09 0.73 0.07 0.28 0.00 0.00 0.00 179.25 180.42 3k1y h VAL 32 N 0.37 1.26 -0.76 0.00 2.07 -0.89 -1.93 116.25 116.37 3k1y h VAL 32 Ca -0.10 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 3k1y h VAL 32 Cb 1.60 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3k1y h VAL 32 CO 0.18 0.39 0.39 -1.28 0.02 0.00 0.00 177.57 177.27 3k1y h SER 33 N 0.99 0.96 0.41 0.57 0.87 -1.27 0.60 113.55 116.68 3k1y h SER 33 Ca 0.19 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3k1y h SER 33 Cb 0.47 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3k1y h SER 33 CO 0.02 0.80 0.00 0.00 -0.53 0.00 0.00 176.83 177.11 3k1y n ALA 34 N -2.43 1.41 -0.40 6.23 0.00 -0.59 -1.43 120.51 123.30 3k1y n ALA 34 Ca 0.08 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.68 3k1y n ALA 34 Cb 0.12 -1.31 0.20 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.09 2.94 0.00 0.00 1.74 0.17 -5.00 116.66 114.41 3k1y n ARG 35 Ca 0.01 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 3k1y n ARG 35 Cb 0.14 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.37 3.21 3.92 -0.13 0.00 -0.51 -5.06 105.19 106.97 3k1y n GLY 36 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.49 2.76 0.13 1.61 2.02 -1.09 -4.96 118.70 118.67 3k1y s GLU 37 Ca 0.00 -1.31 0.02 0.00 0.02 0.00 0.00 54.97 53.71 3k1y s GLU 37 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 3k1y s GLU 37 CO 0.00 -0.07 0.23 0.00 0.02 0.00 0.00 175.26 175.44 3k1y s ALA 38 N -2.34 3.90 0.01 5.21 0.00 -1.26 -2.97 121.76 124.30 3k1y s ALA 38 Ca 0.47 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.49 3k1y s ALA 38 Cb -0.06 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 3k1y s ALA 38 CO 0.29 0.61 -0.24 -1.17 0.00 0.00 0.00 175.76 175.25 3k1y s LEU 39 N -3.00 2.09 -0.45 0.00 0.20 -1.26 -1.96 118.68 114.31 3k1y s LEU 39 Ca 0.34 -0.48 -0.00 0.00 0.69 0.00 0.00 54.13 54.67 3k1y s LEU 39 Cb -0.11 -1.21 0.12 0.00 -0.43 0.00 0.00 46.19 44.55 3k1y s LEU 39 CO 0.27 0.27 0.22 -0.55 -0.29 0.00 0.00 176.35 176.28 3k1y s SER 40 N -0.81 5.03 -0.09 3.68 0.15 0.50 -4.98 113.70 117.18 3k1y s SER 40 Ca 0.10 -2.35 -0.30 0.00 0.70 0.00 0.00 55.95 54.10 3k1y s SER 40 Cb -0.09 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 3k1y s SER 40 CO 0.00 -0.43 1.07 0.54 1.20 0.00 0.00 173.24 175.62 3k1y s VAL 41 N 0.66 4.61 -0.38 4.45 0.11 -1.26 -1.85 120.40 126.73 3k1y s VAL 41 Ca 0.12 1.89 0.01 0.00 -2.93 0.00 0.00 61.98 61.08 3k1y s VAL 41 Cb -0.22 -4.22 0.12 0.00 -1.53 0.00 0.00 36.38 30.53 3k1y s VAL 41 CO -0.04 0.00 0.16 -0.55 -3.33 0.00 0.00 175.10 171.34 3k1y s SER 42 N 1.22 4.02 -0.17 3.54 0.15 -0.83 -4.99 113.70 116.64 3k1y s SER 42 Ca 0.51 -2.22 -0.22 0.00 0.70 0.00 0.00 55.95 54.72 3k1y s SER 42 Cb -0.20 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 3k1y s SER 42 CO 0.19 -0.34 0.65 -0.89 1.20 0.00 0.00 173.24 174.06 3k1y s THR 43 N 0.86 5.02 -0.21 6.45 2.01 -1.26 -2.34 115.64 126.17 3k1y s THR 43 Ca 0.14 1.26 -0.09 0.00 0.31 0.00 0.00 61.69 63.31 3k1y s THR 43 Cb -0.21 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 3k1y s THR 43 CO -0.10 0.13 0.11 -0.63 -0.69 0.00 0.00 174.62 173.44 3k1y s ILE 44 N 1.71 5.11 -0.30 1.82 1.01 0.93 -4.98 121.20 126.51 3k1y s ILE 44 Ca 0.31 0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.93 3k1y s ILE 44 Cb -0.16 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3k1y s ILE 44 CO 0.12 0.42 0.21 -1.61 0.00 0.00 0.00 174.94 174.07 3k1y s GLU 45 N 0.60 3.80 0.40 2.79 0.41 -1.26 -1.75 118.70 123.69 3k1y s GLU 45 Ca 0.06 -0.42 0.14 0.00 -0.41 0.00 0.00 54.97 54.34 3k1y s GLU 45 Cb -0.12 -3.71 0.82 0.00 -1.78 0.00 0.00 34.13 29.34 3k1y s GLU 45 CO 0.01 -0.27 1.87 -0.07 -0.49 0.00 0.00 175.26 176.31 3k1y h LEU 46 N 8.41 0.00 0.00 1.80 3.38 -1.64 -2.39 115.31 124.87 3k1y h LEU 46 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3k1y h LEU 46 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3k1y h LEU 46 CO 0.58 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 177.89 3k1y n SER 47 N -4.10 0.00 -0.99 -0.43 3.41 -1.26 -1.04 113.62 109.20 3k1y n SER 47 Ca -0.02 0.30 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 3k1y n SER 47 Cb 0.37 -0.40 0.13 0.00 -0.26 0.00 0.00 64.21 64.05 3k1y n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k1y n GLU 48 N -1.40 2.30 -0.03 4.33 1.02 -0.90 -4.24 120.64 121.72 3k1y n GLU 48 Ca 0.05 -2.00 0.02 0.00 -0.02 0.00 0.00 57.16 55.21 3k1y n GLU 48 Cb 0.13 -1.46 0.04 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.35 2.14 -0.03 -4.62 4.77 -0.21 -4.83 117.00 115.57 3k1y n LEU 49 Ca 0.15 -2.21 -0.10 0.00 -0.03 0.00 0.00 56.01 53.83 3k1y n LEU 49 Cb 0.59 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3k1y n LEU 49 CO 0.15 0.55 0.64 0.40 -1.33 0.00 0.00 177.39 177.80 3k1y h ILE 50 N 0.13 0.27 -0.59 -0.08 1.08 -1.73 -0.27 117.51 116.33 3k1y h ILE 50 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 3k1y h ILE 50 Cb 0.61 0.27 -0.07 0.00 -3.07 0.00 0.00 36.82 34.56 3k1y h ILE 50 CO 0.00 0.00 0.20 -0.65 -0.69 0.00 0.00 178.15 177.01 3k1y h PRO 51 N -0.35 0.35 -0.53 2.37 0.11 -1.93 -2.15 132.00 129.87 3k1y h PRO 51 Ca 0.12 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3k1y h PRO 51 Cb 0.54 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3k1y h PRO 51 CO -0.41 0.23 0.23 -0.44 -0.21 0.00 0.00 178.00 177.40 3k1y h ASP 52 N 0.36 0.72 0.00 -2.05 5.19 -1.81 -1.83 116.42 117.01 3k1y h ASP 52 Ca 0.30 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3k1y h ASP 52 Cb 0.38 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.70 3k1y h ASP 52 CO -0.32 0.68 0.00 0.18 -3.12 0.00 0.00 179.24 176.67 3k1y n LEU 53 N -4.54 0.00 0.00 1.55 7.99 -0.15 -1.58 117.00 120.27 3k1y n LEU 53 Ca 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 3k1y n LEU 53 Cb 0.15 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 3k1y n LEU 53 CO 0.38 0.00 0.00 0.41 -1.51 0.00 0.00 177.39 176.67 3k1y n THR 55 N 0.56 0.00 0.02 -5.08 -1.04 -0.69 -4.79 114.28 103.27 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 1.82 0.00 2.41 0.00 -0.61 -2.08 120.51 122.05 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 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 1.49 0.00 0.00 0.00 -2.24 -1.26 -4.34 114.28 107.93 3k1y n THR 58 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k1y n THR 58 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3k1y n THR 58 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3k1y n THR 59 N 0.00 0.00 0.24 4.28 -1.04 -0.88 -5.04 114.28 111.84 3k1y n THR 59 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 3k1y n THR 59 Cb 0.00 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 69.13 3k1y n THR 59 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 3k1y h ARG 60 N 0.00 0.00 -6.09 -2.82 0.11 -1.86 -3.44 114.38 100.29 3k1y h ARG 60 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 3k1y h ARG 60 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 3k1y h ARG 60 CO 0.00 0.18 -0.19 0.08 0.10 0.00 0.00 179.97 180.13 3k1y s VAL 61 N -4.11 5.01 0.28 0.08 1.01 -1.26 -5.05 120.40 116.36 3k1y s VAL 61 Ca -0.02 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 3k1y s VAL 61 Cb 0.13 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3k1y s VAL 61 CO 0.62 0.45 0.57 -1.00 0.00 0.00 0.00 175.10 175.73 3k1y s HIS 62 N -1.22 3.46 0.90 5.22 3.76 -1.26 -4.69 115.29 121.45 3k1y s HIS 62 Ca 0.28 0.73 -0.12 0.00 -0.15 0.00 0.00 55.06 55.80 3k1y s HIS 62 Cb -0.16 -2.17 0.13 0.00 1.11 0.00 0.00 32.58 31.50 3k1y s HIS 62 CO 0.16 0.18 1.11 0.95 -0.85 0.00 0.00 174.74 176.28 3k1y s THR 63 N -2.04 2.47 0.13 1.30 -4.23 -1.26 -4.80 115.64 107.21 3k1y s THR 63 Ca 0.45 0.15 -0.17 0.00 -1.18 0.00 0.00 61.69 60.94 3k1y s THR 63 Cb -0.11 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 3k1y s THR 63 CO 0.28 -0.20 1.72 0.74 -0.54 0.00 0.00 174.62 176.62 3k1y h THR 64 N -1.49 1.15 -0.16 3.99 2.02 -1.98 -0.21 112.91 116.23 3k1y h THR 64 Ca -0.50 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.33 3k1y h THR 64 Cb 1.30 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.45 3k1y h THR 64 CO 0.58 0.15 -0.24 0.50 0.37 0.00 0.00 175.52 176.88 3k1y h LYS 65 N 0.41 -0.28 -0.40 6.66 3.64 -2.00 0.18 116.57 124.79 3k1y h LYS 65 Ca 0.12 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3k1y h LYS 65 Cb 0.08 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3k1y h LYS 65 CO -0.02 -0.19 0.04 1.25 -2.27 0.00 0.00 179.45 178.27 3k1y h LEU 66 N -0.29 0.57 -1.07 5.20 5.85 -1.90 -1.88 115.31 121.80 3k1y h LEU 66 Ca 0.11 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3k1y h LEU 66 Cb 0.46 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3k1y h LEU 66 CO -0.33 0.61 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.26 3k1y h GLU 67 N 0.59 0.61 0.09 1.25 4.57 0.51 -1.79 114.58 120.41 3k1y h GLU 67 Ca 0.13 -0.16 -0.26 0.00 -1.18 0.00 0.00 59.36 57.89 3k1y h GLU 67 Cb 0.31 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3k1y h GLU 67 CO 0.01 0.66 -1.15 0.93 -1.18 0.00 0.00 179.01 178.28 3k1y h GLU 68 N 0.57 0.31 -0.44 1.92 5.08 -0.35 -3.05 114.58 118.61 3k1y h GLU 68 Ca 0.11 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3k1y h GLU 68 Cb 0.43 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3k1y h GLU 68 CO 0.02 1.18 0.16 0.82 -1.00 0.00 0.00 179.01 180.20 3k1y h ILE 69 N 0.12 1.21 0.00 3.13 1.08 -1.15 -2.19 117.51 119.71 3k1y h ILE 69 Ca -0.12 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.65 3k1y h ILE 69 Cb 1.85 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 3k1y h ILE 69 CO 0.19 0.24 -0.20 0.71 -0.69 0.00 0.00 178.15 178.40 3k1y h THR 70 N 0.57 0.44 0.15 -0.27 1.35 -1.41 -1.77 112.91 111.98 3k1y h THR 70 Ca 0.15 -1.15 -0.30 0.00 -0.55 0.00 0.00 66.41 64.55 3k1y h THR 70 Cb 0.22 1.84 0.03 0.00 -1.73 0.00 0.00 68.15 68.50 3k1y h THR 70 CO -0.01 0.19 -1.30 0.28 -0.25 0.00 0.00 175.52 174.43 3k1y h SER 71 N 0.00 0.81 -0.39 5.36 0.02 -1.41 -2.29 113.55 115.65 3k1y h SER 71 Ca -0.00 -0.78 -0.04 0.00 -0.84 0.00 0.00 61.79 60.13 3k1y h SER 71 Cb 0.82 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3k1y h SER 71 CO 0.03 1.60 0.10 0.00 -1.14 0.00 0.00 176.83 177.41 3k1y h ALA 72 N 0.31 0.52 0.48 3.77 0.00 -1.31 -2.64 119.26 120.39 3k1y h ALA 72 Ca -0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3k1y h ALA 72 Cb 1.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3k1y h ALA 72 CO 0.24 0.19 -0.36 1.25 0.00 0.00 0.00 179.25 180.58 3k1y h LEU 73 N 0.49 -0.94 0.00 0.00 5.85 -1.38 -1.63 115.31 117.71 3k1y h LEU 73 Ca 0.12 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3k1y h LEU 73 Cb 0.31 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3k1y h LEU 73 CO 0.00 -0.52 0.01 -1.20 -0.34 0.00 0.00 178.44 176.40 3k1y n SER 74 N -4.61 0.00 -0.00 1.25 7.64 -0.86 -0.18 113.62 116.86 3k1y n SER 74 Ca -0.10 0.09 0.03 0.00 1.01 0.00 0.00 58.87 59.90 3k1y n SER 74 Cb 0.35 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.04 2.70 -0.79 -0.43 0.00 -0.89 -4.99 120.51 115.07 3k1y n ALA 75 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 3k1y n ALA 75 Cb 0.01 -0.22 0.15 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.72 3.17 0.10 0.00 0.01 0.75 -4.94 113.70 111.07 3k1y s SER 76 Ca 0.02 2.14 0.23 0.00 1.31 0.00 0.00 55.95 59.65 3k1y s SER 76 Cb 0.04 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.72 3k1y s SER 76 CO 0.25 -2.94 0.99 0.47 0.41 0.00 0.00 173.24 172.41 3k1y n ASP 77 N -4.11 0.61 -3.62 2.44 8.00 0.13 -4.96 116.55 115.04 3k1y n ASP 77 Ca 0.11 0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 3k1y n ASP 77 Cb 0.52 0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 42.35 3k1y n ASP 77 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3k1y s GLY 78 N -4.00 -0.34 0.02 0.44 0.00 -1.12 -4.40 107.32 97.91 3k1y s GLY 78 Ca 0.01 0.40 0.04 0.00 0.00 0.00 0.00 44.72 45.17 3k1y s GLY 78 CO 0.80 0.12 -0.12 -2.27 0.00 0.00 0.00 173.10 171.64 3k1y s LEU 79 N -2.07 2.11 -0.12 0.66 2.96 0.24 -0.23 118.68 122.24 3k1y s LEU 79 Ca -0.04 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3k1y s LEU 79 Cb -0.01 -0.53 0.03 0.00 0.50 0.00 0.00 46.19 46.19 3k1y s LEU 79 CO -0.03 0.05 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.33 3k1y s VAL 80 N -0.62 0.76 -0.08 1.68 1.01 -0.08 -1.64 120.40 121.44 3k1y s VAL 80 Ca 0.02 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3k1y s VAL 80 Cb -0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3k1y s VAL 80 CO 0.00 0.22 -0.18 0.68 0.00 0.00 0.00 175.10 175.82 3k1y s VAL 81 N 1.80 2.64 0.04 2.92 -7.23 -0.88 -0.24 120.40 119.44 3k1y s VAL 81 Ca 0.03 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 3k1y s VAL 81 Cb -0.13 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 3k1y s VAL 81 CO -0.07 0.56 -0.09 0.00 -0.31 0.00 0.00 175.10 175.20 3k1y s ALA 82 N -0.19 0.69 -0.10 1.32 0.00 0.35 -1.50 121.76 122.32 3k1y s ALA 82 Ca -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 3k1y s ALA 82 Cb -0.13 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.99 3k1y s ALA 82 CO 0.03 0.06 0.34 -0.08 0.00 0.00 0.00 175.76 176.11 3k1y s THR 83 N -1.06 0.01 0.86 0.00 -1.32 -1.12 -2.43 115.64 110.59 3k1y s THR 83 Ca -0.05 -0.11 -0.12 0.00 -1.21 0.00 0.00 61.69 60.19 3k1y s THR 83 Cb -0.08 -0.52 0.11 0.00 -1.51 0.00 0.00 72.50 70.49 3k1y s THR 83 CO 0.01 -0.06 1.17 -2.16 -2.21 0.00 0.00 174.62 171.36 3k1y s PRO 84 N -0.18 1.54 -0.34 7.08 0.04 -1.26 -2.28 135.00 139.60 3k1y s PRO 84 Ca -0.03 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.10 3k1y s PRO 84 Cb -0.03 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.64 3k1y s PRO 84 CO 0.01 -1.90 0.12 0.08 0.04 0.00 0.00 177.00 175.36 3k1y s VAL 85 N -3.45 3.98 -0.16 -0.36 1.01 -0.97 -3.96 120.40 116.49 3k1y s VAL 85 Ca 0.63 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 3k1y s VAL 85 Cb -0.12 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3k1y s VAL 85 CO 0.51 -0.14 -0.10 -0.36 0.00 0.00 0.00 175.10 175.01 3k1y s PHE 86 N 1.45 2.87 -1.33 5.22 0.08 -0.78 -4.65 117.98 120.85 3k1y s PHE 86 Ca -0.00 -0.70 -0.04 0.00 0.12 0.00 0.00 56.93 56.31 3k1y s PHE 86 Cb -0.19 -1.92 0.02 0.00 -0.57 0.00 0.00 43.02 40.36 3k1y s PHE 86 CO 0.04 -0.29 0.90 1.63 -0.10 0.00 0.00 175.22 177.40 3k1y n LYS 87 N 3.86 -5.90 -2.38 0.44 4.76 -1.26 -2.63 118.16 115.04 3k1y n LYS 87 Ca -0.18 0.70 -0.21 0.00 -2.87 0.00 0.00 58.31 55.75 3k1y n LYS 87 Cb 0.52 -5.51 -0.01 0.00 -1.84 0.00 0.00 35.03 28.19 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 -4.42 -0.61 -3.01 7.82 0.00 -1.26 -4.94 120.51 114.09 3k1y n ALA 88 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3k1y n ALA 88 Cb 0.63 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.99 -0.02 -4.78 0.00 2.88 -1.08 -4.92 113.62 103.71 3k1y n SER 89 Ca -0.25 -1.01 -0.30 0.00 -1.33 0.00 0.00 58.87 55.98 3k1y n SER 89 Cb 0.69 0.03 0.10 0.00 -0.75 0.00 0.00 64.21 64.28 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 -7.41 2.70 0.58 0.66 -0.85 -1.26 -1.86 117.35 109.92 3k1y s TYR 90 Ca 0.00 1.22 -0.19 0.00 -0.52 0.00 0.00 57.07 57.58 3k1y s TYR 90 Cb -0.00 -3.11 -0.04 0.00 0.38 0.00 0.00 41.96 39.19 3k1y s TYR 90 CO 0.00 -1.89 1.18 0.99 -1.52 0.00 0.00 175.55 174.31 3k1y s THR 91 N -3.08 2.79 0.10 -3.49 2.01 -1.25 -4.62 115.64 108.10 3k1y s THR 91 Ca 0.61 0.49 -0.17 0.00 0.31 0.00 0.00 61.69 62.93 3k1y s THR 91 Cb -0.15 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 3k1y s THR 91 CO 0.55 -0.11 1.52 1.23 -0.69 0.00 0.00 174.62 177.12 3k1y h GLY 92 N 0.95 0.61 0.72 4.40 0.00 -1.94 -0.85 103.07 106.97 3k1y h GLY 92 Ca -0.50 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 46.40 3k1y h GLY 92 CO 0.56 0.43 0.29 -2.00 0.00 0.00 0.00 176.54 175.81 3k1y h LEU 93 N 0.35 0.42 0.24 3.11 5.85 -1.96 -2.59 115.31 120.71 3k1y h LEU 93 Ca 0.08 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3k1y h LEU 93 Cb 0.49 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3k1y h LEU 93 CO 0.02 0.28 -0.28 0.15 -0.34 0.00 0.00 178.44 178.27 3k1y h PHE 94 N 0.55 -0.76 0.00 1.25 3.57 -1.82 -2.54 116.94 117.19 3k1y h PHE 94 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3k1y h PHE 94 Cb 0.14 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3k1y h PHE 94 CO -0.09 -0.40 0.00 1.17 -2.23 0.00 0.00 178.31 176.75 3k1y n LYS 95 N -5.40 0.00 0.00 1.11 3.00 -0.35 -3.14 118.16 113.37 3k1y n LYS 95 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 3k1y n LYS 95 Cb 0.31 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.98 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 1.21 0.00 0.09 5.64 7.35 -0.96 -1.02 117.46 129.77 3k1y n PHE 97 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 3k1y n PHE 97 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 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 0.17 0.00 -5.13 0.04 -1.85 -3.12 116.94 107.05 3k1y h PHE 98 Ca 0.00 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 3k1y h PHE 98 Cb 0.00 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3k1y h PHE 98 CO 0.00 0.97 -0.19 -0.44 -0.60 0.00 0.00 178.31 178.05 3k1y h ASP 99 N 0.05 0.00 0.80 2.17 3.32 -1.39 -2.75 116.42 118.62 3k1y h ASP 99 Ca -0.04 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 3k1y h ASP 99 Cb 1.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.13 3k1y h ASP 99 CO 0.13 0.19 -0.51 0.40 -1.72 0.00 0.00 179.24 177.73 3k1y h ILE 100 N 0.00 1.15 -4.28 0.35 1.08 -1.81 -3.46 117.51 110.54 3k1y h ILE 100 Ca -0.00 -1.90 -0.51 0.00 -0.39 0.00 0.00 64.86 62.06 3k1y h ILE 100 Cb 0.36 2.09 0.11 0.00 -3.07 0.00 0.00 36.82 36.31 3k1y h ILE 100 CO 0.02 0.50 0.35 -0.76 -0.69 0.00 0.00 178.15 177.58 3k1y s LEU 101 N -7.23 3.18 0.66 1.44 1.43 -1.04 -5.02 118.68 112.10 3k1y s LEU 101 Ca -0.00 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.78 3k1y s LEU 101 Cb 0.11 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 3k1y s LEU 101 CO 0.73 -1.71 1.06 -1.81 0.23 0.00 0.00 176.35 174.84 3k1y s ASP 102 N -3.25 5.49 0.24 2.29 1.01 -1.26 -4.95 116.67 116.24 3k1y s ASP 102 Ca 0.62 1.71 -0.07 0.00 0.71 0.00 0.00 52.55 55.52 3k1y s ASP 102 Cb -0.17 -2.51 0.43 0.00 1.01 0.00 0.00 42.92 41.68 3k1y s ASP 102 CO 0.51 -1.37 1.64 0.74 0.21 0.00 0.00 175.17 176.89 3k1y h THR 103 N -0.28 0.35 -0.81 -1.27 2.02 -1.97 -2.01 112.91 108.93 3k1y h THR 103 Ca -0.45 -0.04 -0.55 0.00 0.77 0.00 0.00 66.41 66.14 3k1y h THR 103 Cb 1.22 0.23 -0.31 0.00 -1.74 0.00 0.00 68.15 67.54 3k1y h THR 103 CO 0.57 0.02 0.12 -0.90 0.37 0.00 0.00 175.52 175.69 3k1y n ASP 104 N -5.34 5.68 0.23 4.18 5.75 -1.26 -4.65 116.55 121.14 3k1y n ASP 104 Ca 0.13 -3.77 0.13 0.00 -0.01 0.00 0.00 54.79 51.27 3k1y n ASP 104 Cb 0.47 -0.69 0.29 0.00 -1.03 0.00 0.00 41.12 40.16 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 1.85 0.98 0.00 2.12 0.00 -1.73 -3.33 119.26 119.15 3k1y h ALA 105 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3k1y h ALA 105 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3k1y h ALA 105 CO 1.09 0.05 -0.02 1.28 0.00 0.00 0.00 179.25 181.65 3k1y n LEU 106 N -3.12 1.58 -4.69 0.00 4.77 -1.26 -4.37 117.00 109.91 3k1y n LEU 106 Ca 0.03 -1.70 -0.53 0.00 -0.03 0.00 0.00 56.01 53.78 3k1y n LEU 106 Cb 0.49 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3k1y n LEU 106 CO 0.33 0.42 1.37 0.41 -1.33 0.00 0.00 177.39 178.58 3k1y n THR 107 N -0.49 0.39 -1.43 -5.08 -1.04 -1.25 -4.10 114.28 101.28 3k1y n THR 107 Ca 0.02 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3k1y n THR 107 Cb 0.36 -1.49 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 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 4.16 -2.73 3.02 3.41 0.00 -0.28 -4.94 105.19 107.84 3k1y n GLY 108 Ca 0.24 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.43 1.64 0.03 1.61 0.02 -1.26 -4.43 135.00 132.18 3k1y s PRO 110 Ca 0.00 -0.41 0.01 0.00 0.02 0.00 0.00 61.00 60.62 3k1y s PRO 110 Cb 0.00 -1.37 -0.02 0.00 0.02 0.00 0.00 34.50 33.13 3k1y s PRO 110 CO 0.00 0.04 -0.05 0.99 -0.33 0.00 0.00 177.00 177.65 3k1y s THR 111 N 0.62 0.30 -0.13 0.99 2.01 -0.04 -0.59 115.64 118.80 3k1y s THR 111 Ca -0.13 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 60.91 3k1y s THR 111 Cb -0.15 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 71.95 3k1y s THR 111 CO 0.03 -0.44 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.69 3k1y s ILE 112 N -1.41 1.91 -0.12 1.82 1.01 -0.65 -0.65 121.20 123.11 3k1y s ILE 112 Ca -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 3k1y s ILE 112 Cb -0.10 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3k1y s ILE 112 CO -0.00 0.52 0.03 0.27 0.00 0.00 0.00 174.94 175.75 3k1y s ILE 113 N 0.86 4.52 0.09 2.92 -4.36 -1.26 -2.08 121.20 121.90 3k1y s ILE 113 Ca -0.07 -0.15 -0.02 0.00 -0.26 0.00 0.00 60.65 60.15 3k1y s ILE 113 Cb -0.15 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 3k1y s ILE 113 CO -0.02 0.56 0.03 0.00 0.24 0.00 0.00 174.94 175.75 3k1y s ALA 114 N -0.50 0.63 0.29 2.27 0.00 -0.56 -1.18 121.76 122.71 3k1y s ALA 114 Ca 0.09 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 3k1y s ALA 114 Cb -0.12 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3k1y s ALA 114 CO 0.02 -0.44 0.55 0.00 0.00 0.00 0.00 175.76 175.89 3k1y s ALA 115 N -3.98 -0.26 0.05 0.00 0.00 -0.70 -2.78 121.76 114.08 3k1y s ALA 115 Ca 0.15 -0.90 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 3k1y s ALA 115 Cb 0.07 1.00 0.05 0.00 0.00 0.00 0.00 23.12 24.25 3k1y s ALA 115 CO -0.04 -0.89 0.51 -0.08 0.00 0.00 0.00 175.76 175.26 3k1y s THR 116 N -3.61 0.03 0.04 0.00 -1.32 -0.97 -0.57 115.64 109.25 3k1y s THR 116 Ca 0.21 -0.26 -0.27 0.00 -1.21 0.00 0.00 61.69 60.17 3k1y s THR 116 Cb -0.02 -0.97 0.09 0.00 -1.51 0.00 0.00 72.50 70.09 3k1y s THR 116 CO 0.11 -0.14 1.21 0.00 -2.21 0.00 0.00 174.62 173.59 3k1y s ALA 117 N -2.43 -2.18 0.03 11.08 0.00 -0.63 -2.30 121.76 125.33 3k1y s ALA 117 Ca -0.05 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.61 3k1y s ALA 117 Cb -0.01 0.80 -0.15 0.00 0.00 0.00 0.00 23.12 23.76 3k1y s ALA 117 CO -0.02 -1.11 1.24 0.78 0.00 0.00 0.00 175.76 176.65 3k1y h GLY 118 N 2.00 -1.05 -1.60 0.00 0.00 -1.93 0.58 103.07 101.07 3k1y h GLY 118 Ca -0.24 0.39 -0.51 0.00 0.00 0.00 0.00 47.33 46.96 3k1y h GLY 118 CO 0.32 -0.38 -0.10 -1.35 0.00 0.00 0.00 176.54 175.03 3k1y s SER 119 N -4.03 4.97 0.00 0.19 1.04 -1.26 -1.38 113.70 113.23 3k1y s SER 119 Ca -0.15 -0.96 0.17 0.00 0.48 0.00 0.00 55.95 55.50 3k1y s SER 119 Cb 0.01 0.45 0.44 0.00 0.10 0.00 0.00 66.02 67.03 3k1y s SER 119 CO 0.44 -1.39 1.36 0.00 0.98 0.00 0.00 173.24 174.63 3k1y n ALA 120 N -2.24 2.30 0.07 5.32 0.00 -1.26 -4.58 120.51 120.12 3k1y n ALA 120 Ca 0.14 -1.16 0.18 0.00 0.00 0.00 0.00 53.44 52.61 3k1y n ALA 120 Cb 0.62 -0.68 0.71 0.00 0.00 0.00 0.00 19.45 20.10 3k1y n ALA 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3k1y h ARG 121 N 3.26 0.00 -0.46 0.00 0.11 -1.99 -0.32 114.38 114.97 3k1y h ARG 121 Ca 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 3k1y h ARG 121 Cb 0.85 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.91 3k1y h ARG 121 CO 0.00 0.00 0.04 0.72 0.10 0.00 0.00 179.97 180.83 3k1y n HIS 122 N -4.24 1.62 0.15 4.08 8.25 -1.26 -4.62 115.22 119.20 3k1y n HIS 122 Ca 0.07 -0.92 0.17 0.00 -0.26 0.00 0.00 57.72 56.78 3k1y n HIS 122 Cb 0.50 -0.46 0.77 0.00 1.12 0.00 0.00 29.99 31.93 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 2.71 0.00 0.09 0.41 4.64 -1.37 -0.39 113.55 119.64 3k1y h SER 123 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3k1y h SER 123 Cb 1.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 3k1y h SER 123 CO 0.42 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.56 3k1y n LEU 124 N -4.00 0.00 0.29 5.97 4.77 -1.26 -2.50 117.00 120.27 3k1y n LEU 124 Ca 0.03 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.26 3k1y n LEU 124 Cb 0.39 -0.10 0.87 0.00 -2.33 0.00 0.00 43.42 42.25 3k1y n LEU 124 CO 0.30 -0.06 1.09 1.62 -1.33 0.00 0.00 177.39 179.02 3k1y h VAL 125 N 0.00 0.55 0.62 4.08 3.04 -1.42 -2.08 116.25 121.04 3k1y h VAL 125 Ca 0.00 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.54 3k1y h VAL 125 Cb 0.05 1.07 0.01 0.00 -2.01 0.00 0.00 31.29 30.41 3k1y h VAL 125 CO 0.00 0.03 -0.30 -0.07 -1.01 0.00 0.00 177.57 176.22 3k1y h LEU 126 N 0.00 -0.70 0.00 3.16 3.38 -1.73 0.98 115.31 120.39 3k1y h LEU 126 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k1y h LEU 126 Cb 0.07 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3k1y h LEU 126 CO 0.00 -0.44 -0.07 0.44 0.09 0.00 0.00 178.44 178.46 3k1y h ASP 127 N -0.92 0.00 -0.01 -0.43 3.32 -1.76 0.11 116.42 116.73 3k1y h ASP 127 Ca -0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3k1y h ASP 127 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3k1y h ASP 127 CO 0.14 0.00 -0.23 -1.22 -1.72 0.00 0.00 179.24 176.21 3k1y n TYR 128 N -2.79 0.00 0.00 4.55 4.01 -0.80 -4.36 117.16 117.77 3k1y n TYR 128 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3k1y n TYR 128 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 0.07 2.92 0.05 -0.72 0.00 0.31 -4.80 120.51 118.33 3k1y n ALA 129 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 3k1y n ALA 129 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.07 -0.34 0.00 4.07 -1.42 -2.94 115.31 114.61 3k1y h LEU 130 Ca 0.00 -0.17 0.07 0.00 0.08 0.00 0.00 57.88 57.86 3k1y h LEU 130 Cb 0.00 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.67 3k1y h LEU 130 CO 0.00 0.13 -0.41 -0.09 -1.08 0.00 0.00 178.44 176.99 3k1y h ARG 131 N -0.26 -0.34 -0.00 1.13 2.43 -1.03 0.63 114.38 116.95 3k1y h ARG 131 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3k1y h ARG 131 Cb 0.23 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3k1y h ARG 131 CO 0.01 -0.22 0.00 -1.35 -1.51 0.00 0.00 179.97 176.90 3k1y h PRO 132 N -0.35 0.00 0.12 0.20 0.11 -1.76 -0.34 132.00 129.98 3k1y h PRO 132 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3k1y h PRO 132 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3k1y h PRO 132 CO -0.53 0.00 -0.06 1.25 -0.21 0.00 0.00 178.00 178.46 3k1y h LEU 133 N 0.00 -0.13 -1.13 2.35 5.85 -0.74 -2.01 115.31 119.49 3k1y h LEU 133 Ca 0.00 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 3k1y h LEU 133 Cb 0.00 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3k1y h LEU 133 CO -0.00 0.26 0.03 -0.07 -0.34 0.00 0.00 178.44 178.32 3k1y h LEU 134 N -0.55 0.60 -0.53 2.25 -0.00 -0.89 -2.72 115.31 113.47 3k1y h LEU 134 Ca -0.02 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.88 57.65 3k1y h LEU 134 Cb 0.44 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 3k1y h LEU 134 CO 0.03 0.65 -0.05 0.28 -0.00 0.00 0.00 178.44 179.34 3k1y h SER 135 N 0.61 0.97 0.00 -0.43 0.02 -1.04 -0.84 113.55 112.84 3k1y h SER 135 Ca 0.13 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3k1y h SER 135 Cb 0.34 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3k1y h SER 135 CO 0.01 1.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.77 3k1y n TYR 136 N -4.22 0.00 -1.90 3.45 9.36 -0.76 -4.33 117.16 118.75 3k1y n TYR 136 Ca 0.01 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.18 3k1y n TYR 136 Cb 0.36 -0.11 -0.05 0.00 -0.63 0.00 0.00 39.34 38.92 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 1.07 0.00 -3.00 2.98 1.74 -0.45 -5.09 116.66 113.92 3k1y n ARG 138 Ca 0.00 -0.72 -0.29 0.00 -0.77 0.00 0.00 57.85 56.07 3k1y n ARG 138 Cb 0.00 0.43 -0.03 0.00 -1.02 0.00 0.00 32.46 31.84 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 3.44 -0.48 7.54 0.00 -0.45 -1.12 121.76 130.68 3k1y s ALA 139 Ca 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.45 3k1y s ALA 139 Cb 0.00 -2.57 0.06 0.00 0.00 0.00 0.00 23.12 20.61 3k1y s ALA 139 CO 0.00 0.05 0.50 0.54 0.00 0.00 0.00 175.76 176.85 3k1y s VAL 140 N -2.30 5.06 -0.36 0.00 0.11 -1.26 -4.49 120.40 117.15 3k1y s VAL 140 Ca 0.49 -0.71 -0.22 0.00 -2.93 0.00 0.00 61.98 58.60 3k1y s VAL 140 Cb -0.10 -4.19 0.01 0.00 -1.53 0.00 0.00 36.38 30.57 3k1y s VAL 140 CO 0.32 -0.65 0.73 -0.69 -3.33 0.00 0.00 175.10 171.48 3k1y s VAL 141 N 2.14 4.79 0.65 2.04 1.01 -1.26 -0.86 120.40 128.90 3k1y s VAL 141 Ca 0.10 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 62.68 3k1y s VAL 141 Cb -0.21 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 3k1y s VAL 141 CO 0.10 -0.40 0.71 1.33 0.00 0.00 0.00 175.10 176.84 3k1y n VAL 142 N 5.72 2.65 -0.06 2.92 0.24 0.18 -4.90 118.33 125.09 3k1y n VAL 142 Ca 0.02 -0.45 -0.07 0.00 -2.04 0.00 0.00 64.34 61.79 3k1y n VAL 142 Cb 0.48 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 31.95 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 0.05 -0.04 -6.17 7.34 0.11 -1.96 -3.40 132.00 127.94 3k1y h PRO 143 Ca -0.47 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 3k1y h PRO 143 Cb 1.37 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.44 3k1y h PRO 143 CO 0.47 -0.03 1.23 0.99 -0.21 0.00 0.00 178.00 180.45 3k1y s THR 144 N -6.19 3.53 0.38 -1.15 2.01 -1.26 -4.99 115.64 107.97 3k1y s THR 144 Ca -0.14 0.36 -0.14 0.00 0.31 0.00 0.00 61.69 62.08 3k1y s THR 144 Cb 0.12 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 3k1y s THR 144 CO 0.69 -1.15 0.79 -0.83 -0.69 0.00 0.00 174.62 173.43 3k1y s GLY 145 N 6.26 2.16 -0.37 4.40 0.00 -1.26 -4.72 107.32 113.79 3k1y s GLY 145 Ca 0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.27 3k1y s GLY 145 CO 0.21 0.20 0.12 0.14 0.00 0.00 0.00 173.10 173.77 3k1y s VAL 146 N -2.21 3.07 -0.39 1.40 1.01 -0.32 -5.02 120.40 117.93 3k1y s VAL 146 Ca 0.54 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.53 3k1y s VAL 146 Cb -0.10 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.30 3k1y s VAL 146 CO 0.24 -0.50 0.22 0.12 0.00 0.00 0.00 175.10 175.19 3k1y s PHE 147 N 1.14 3.26 -0.47 5.22 5.36 -1.26 -1.73 117.98 129.51 3k1y s PHE 147 Ca 0.04 -1.10 -0.20 0.00 -0.96 0.00 0.00 56.93 54.71 3k1y s PHE 147 Cb -0.21 -2.57 0.03 0.00 -0.34 0.00 0.00 43.02 39.93 3k1y s PHE 147 CO -0.04 -0.70 0.66 0.00 -1.46 0.00 0.00 175.22 173.68 3k1y s ALA 148 N 1.53 3.34 -0.43 11.12 0.00 0.27 -4.97 121.76 132.62 3k1y s ALA 148 Ca 0.02 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 3k1y s ALA 148 Cb -0.20 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3k1y s ALA 148 CO 0.06 -1.90 0.44 0.00 0.00 0.00 0.00 175.76 174.36 3k1y s ALA 149 N 2.85 3.43 0.24 0.00 0.00 -1.26 -1.60 121.76 125.42 3k1y s ALA 149 Ca 0.21 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.54 3k1y s ALA 149 Cb -0.15 -3.07 0.42 0.00 0.00 0.00 0.00 23.12 20.31 3k1y s ALA 149 CO 0.17 -1.62 1.65 1.15 0.00 0.00 0.00 175.76 177.11 3k1y h THR 150 N 5.74 0.41 0.00 0.00 2.02 0.27 -0.39 112.91 120.96 3k1y h THR 150 Ca -0.27 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3k1y h THR 150 Cb 1.11 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3k1y h THR 150 CO 0.81 0.03 0.00 -0.62 0.37 0.00 0.00 175.52 176.10 3k1y n GLU 151 N -5.29 0.10 -1.12 6.66 1.02 -0.48 -3.28 120.64 118.25 3k1y n GLU 151 Ca 0.13 0.23 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 3k1y n GLU 151 Cb 0.45 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.52 3k1y n GLU 151 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3k1y n ASP 152 N -1.32 3.63 -4.51 1.62 8.00 -0.16 -4.95 116.55 118.87 3k1y n ASP 152 Ca 0.04 -3.77 -0.42 0.00 0.71 0.00 0.00 54.79 51.34 3k1y n ASP 152 Cb 0.07 -0.66 -0.09 0.00 -0.02 0.00 0.00 41.12 40.43 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 -3.39 3.17 0.00 1.24 0.08 -1.21 -3.90 117.98 113.97 3k1y s PHE 153 Ca 0.50 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.33 3k1y s PHE 153 Cb 0.43 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.99 3k1y s PHE 153 CO 0.01 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 3k1y n GLY 154 N 5.04 3.88 7.00 4.36 0.00 -1.26 -4.94 105.19 119.27 3k1y n GLY 154 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 1.05 0.30 -0.02 0.00 -1.26 -3.79 105.19 101.47 3k1y n GLY 155 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.57 0.00 1.61 0.11 -2.00 -1.46 132.00 129.69 3k1y h PRO 156 Ca 0.00 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3k1y h PRO 156 Cb 0.00 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3k1y h PRO 156 CO 0.00 -0.38 -0.06 0.93 -0.21 0.00 0.00 178.00 178.28 3k1y h GLU 157 N -0.59 0.00 0.22 1.05 5.08 -1.87 -3.06 114.58 115.41 3k1y h GLU 157 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3k1y h GLU 157 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3k1y h GLU 157 CO -0.05 0.06 -0.11 0.78 -1.00 0.00 0.00 179.01 178.69 3k1y h GLY 158 N 1.28 -0.32 0.50 -3.84 0.00 -1.60 -2.90 103.07 96.18 3k1y h GLY 158 Ca -0.00 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.54 3k1y h GLY 158 CO 0.01 -0.11 0.45 0.00 0.00 0.00 0.00 176.54 176.88 3k1y h ALA 159 N -1.02 1.15 0.03 3.60 0.00 -1.32 -2.17 119.26 119.53 3k1y h ALA 159 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k1y h ALA 159 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3k1y h ALA 159 CO 0.05 0.07 -0.03 0.93 0.00 0.00 0.00 179.25 180.26 3k1y h GLU 160 N 0.75 -0.07 -0.77 0.00 4.39 -1.67 -2.61 114.58 114.60 3k1y h GLU 160 Ca 0.39 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.24 3k1y h GLU 160 Cb 0.38 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.95 3k1y h GLU 160 CO -0.26 -0.05 0.33 0.35 -1.16 0.00 0.00 179.01 178.23 3k1y h PHE 161 N -0.07 0.57 0.00 4.33 3.57 -1.19 0.62 116.94 124.77 3k1y h PHE 161 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3k1y h PHE 161 Cb 0.07 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3k1y h PHE 161 CO -0.09 0.10 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.16 3k1y h ASN 162 N 0.49 0.00 -0.04 0.41 2.35 -1.06 0.98 115.58 118.72 3k1y h ASN 162 Ca 0.42 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.11 3k1y h ASN 162 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3k1y h ASN 162 CO -0.39 0.01 -0.20 0.50 -1.65 0.00 0.00 177.43 175.71 3k1y h LYS 163 N 0.00 0.20 -1.00 0.81 1.63 0.42 -2.55 116.57 116.07 3k1y h LYS 163 Ca -0.00 -0.16 0.17 0.00 -0.85 0.00 0.00 60.65 59.80 3k1y h LYS 163 Cb 0.03 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.59 3k1y h LYS 163 CO 0.00 0.83 0.62 -0.09 -3.45 0.00 0.00 179.45 177.36 3k1y h ARG 164 N -0.38 0.81 0.21 1.90 2.43 0.77 0.36 114.38 120.48 3k1y h ARG 164 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3k1y h ARG 164 Cb 0.87 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3k1y h ARG 164 CO 0.04 0.54 -0.10 0.82 -1.51 0.00 0.00 179.97 179.76 3k1y h ILE 165 N 0.84 0.87 -0.75 1.20 2.04 -0.85 -0.54 117.51 120.32 3k1y h ILE 165 Ca 0.55 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 65.86 3k1y h ILE 165 Cb 0.77 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 3k1y h ILE 165 CO -0.34 0.14 0.49 0.00 0.00 0.00 0.00 178.15 178.45 3k1y h ALA 166 N 0.04 1.91 -0.10 1.87 0.00 -0.87 0.28 119.26 122.41 3k1y h ALA 166 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3k1y h ALA 166 Cb 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k1y h ALA 166 CO 0.05 -0.09 0.02 -0.09 0.00 0.00 0.00 179.25 179.14 3k1y h ARG 167 N 0.57 0.16 -0.30 0.00 2.43 -0.15 -0.12 114.38 116.97 3k1y h ARG 167 Ca 0.35 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.51 3k1y h ARG 167 Cb 0.60 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 3k1y h ARG 167 CO -0.13 0.34 0.12 0.00 -1.51 0.00 0.00 179.97 178.80 3k1y h ALA 168 N 0.81 0.36 -0.53 2.80 0.00 0.62 -1.93 119.26 121.38 3k1y h ALA 168 Ca 0.03 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3k1y h ALA 168 Cb 0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3k1y h ALA 168 CO 0.00 -0.27 0.23 0.00 0.00 0.00 0.00 179.25 179.21 3k1y h ALA 169 N 1.18 0.67 -0.28 0.00 0.00 -0.33 -2.07 119.26 118.43 3k1y h ALA 169 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k1y h ALA 169 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k1y h ALA 169 CO -0.12 -0.15 0.18 0.78 0.00 0.00 0.00 179.25 179.94 3k1y h GLY 170 N 0.44 0.39 1.40 0.00 0.00 -0.55 0.30 103.07 105.04 3k1y h GLY 170 Ca 0.25 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.49 3k1y h GLY 170 CO -0.22 0.15 0.25 0.83 0.00 0.00 0.00 176.54 177.55 3k1y h GLU 171 N 0.37 0.19 0.19 4.80 5.08 -1.03 -0.61 114.58 123.57 3k1y h GLU 171 Ca 0.10 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.18 3k1y h GLU 171 Cb -0.03 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.20 3k1y h GLU 171 CO -0.02 0.13 -1.21 1.25 -1.00 0.00 0.00 179.01 178.15 3k1y h LEU 172 N 0.20 0.62 -0.85 1.33 5.85 -0.61 -3.25 115.31 118.60 3k1y h LEU 172 Ca 0.17 -0.93 -0.04 0.00 0.84 0.00 0.00 57.88 57.92 3k1y h LEU 172 Cb 0.40 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3k1y h LEU 172 CO -0.03 1.57 0.36 0.00 -0.34 0.00 0.00 178.44 180.00 3k1y h ALA 173 N 0.09 1.09 -0.02 1.25 0.00 0.04 -1.82 119.26 119.90 3k1y h ALA 173 Ca -0.22 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.54 3k1y h ALA 173 Cb 1.89 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 3k1y h ALA 173 CO 0.19 0.66 -0.24 0.77 0.00 0.00 0.00 179.25 180.63 3k1y h SER 174 N 1.17 -0.71 -0.43 0.00 0.02 -1.24 -1.26 113.55 111.11 3k1y h SER 174 Ca 0.28 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3k1y h SER 174 Cb 0.17 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3k1y h SER 174 CO -0.03 -0.30 0.21 -0.07 -1.14 0.00 0.00 176.83 175.50 3k1y h LEU 175 N -0.36 0.59 0.46 5.07 4.07 -1.54 -2.37 115.31 121.24 3k1y h LEU 175 Ca 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 3k1y h LEU 175 Cb 0.45 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.05 3k1y h LEU 175 CO -0.23 0.52 -0.22 0.40 -1.08 0.00 0.00 178.44 177.83 3k1y h ILE 176 N 0.66 0.38 0.00 1.22 2.04 -0.54 -2.86 117.51 118.41 3k1y h ILE 176 Ca 0.16 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3k1y h ILE 176 Cb 0.10 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3k1y h ILE 176 CO -0.02 0.06 0.00 -0.37 0.00 0.00 0.00 178.15 177.82 3k1y h VAL 177 N -0.98 0.00 -0.02 1.67 -1.51 -1.29 -2.29 116.25 111.83 3k1y h VAL 177 Ca -0.06 -0.26 -0.16 0.00 -1.23 0.00 0.00 66.70 64.98 3k1y h VAL 177 Cb 0.58 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 3k1y h VAL 177 CO 0.10 0.00 -0.74 -0.08 -1.23 0.00 0.00 177.57 175.62 3k1y h GLU 178 N 0.00 0.12 -6.93 5.19 4.81 -1.37 -3.45 114.58 112.95 3k1y h GLU 178 Ca 0.00 -0.11 -0.56 0.00 -0.13 0.00 0.00 59.36 58.56 3k1y h GLU 178 Cb 0.26 0.03 0.13 0.00 0.63 0.00 0.00 28.75 29.80 3k1y h GLU 178 CO 0.00 0.81 0.55 0.39 -0.73 0.00 0.00 179.01 180.03 3k1y n GLU 179 N -3.73 1.85 0.00 1.92 1.02 -0.86 -5.10 120.64 115.75 3k1y n GLU 179 Ca -0.02 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3k1y n GLU 179 Cb 0.71 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 3k1y n GLU 179 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76