#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1y s ARG 2 N 0.00 1.39 0.03 -0.41 1.81 -0.56 -4.95 118.95 116.26 3k1y s ARG 2 Ca 0.00 -1.43 0.08 0.00 -1.72 0.00 0.00 55.73 52.67 3k1y s ARG 2 Cb 0.00 -1.67 -0.03 0.00 -0.45 0.00 0.00 34.95 32.80 3k1y s ARG 2 CO 0.00 0.37 -0.25 0.95 -0.68 0.00 0.00 175.30 175.69 3k1y s THR 3 N -1.61 2.26 -0.09 0.02 -4.23 -1.26 -0.27 115.64 110.46 3k1y s THR 3 Ca 0.17 -1.28 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3k1y s THR 3 Cb -0.08 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.90 3k1y s THR 3 CO 0.08 0.42 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.20 3k1y s LEU 4 N -1.12 1.75 -0.10 4.79 2.96 0.10 -2.07 118.68 124.99 3k1y s LEU 4 Ca 0.12 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3k1y s LEU 4 Cb -0.10 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 3k1y s LEU 4 CO 0.02 0.05 0.00 0.00 -1.32 0.00 0.00 176.35 175.10 3k1y s ALA 5 N 0.72 3.27 -0.04 5.97 0.00 -0.42 -0.19 121.76 131.07 3k1y s ALA 5 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3k1y s ALA 5 Cb -0.16 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.43 3k1y s ALA 5 CO 0.03 0.51 -0.12 0.08 0.00 0.00 0.00 175.76 176.26 3k1y s VAL 6 N -0.62 1.05 -0.17 0.00 1.01 0.13 -1.18 120.40 120.61 3k1y s VAL 6 Ca 0.10 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3k1y s VAL 6 Cb -0.12 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.35 3k1y s VAL 6 CO 0.02 0.32 -0.16 -0.63 0.00 0.00 0.00 175.10 174.66 3k1y s ILE 7 N 0.36 1.77 -0.10 2.22 1.01 -0.43 0.61 121.20 126.64 3k1y s ILE 7 Ca -0.08 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.79 3k1y s ILE 7 Cb -0.12 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 3k1y s ILE 7 CO 0.02 0.44 -0.22 -0.44 0.00 0.00 0.00 174.94 174.74 3k1y s SER 8 N 1.39 3.29 -0.27 3.58 0.01 -0.11 -0.85 113.70 120.75 3k1y s SER 8 Ca 0.04 -0.50 0.10 0.00 1.31 0.00 0.00 55.95 56.90 3k1y s SER 8 Cb -0.13 -1.38 0.51 0.00 0.21 0.00 0.00 66.02 65.22 3k1y s SER 8 CO -0.11 0.17 1.46 0.00 0.41 0.00 0.00 173.24 175.17 3k1y n ALA 9 N 3.44 4.06 -1.81 1.44 0.00 -1.12 -0.91 120.51 125.61 3k1y n ALA 9 Ca -0.19 -2.99 -0.33 0.00 0.00 0.00 0.00 53.44 49.93 3k1y n ALA 9 Cb 0.53 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.44 2.42 -0.15 0.00 0.00 -1.26 -4.50 107.32 101.39 3k1y s GLY 10 Ca 0.44 0.48 0.09 0.00 0.00 0.00 0.00 44.72 45.73 3k1y s GLY 10 CO 0.01 0.78 -0.02 1.04 0.00 0.00 0.00 173.10 174.91 3k1y n LEU 11 N -0.84 0.93 -4.72 0.66 4.32 -1.26 -4.52 117.00 111.57 3k1y n LEU 11 Ca 0.08 -0.03 -0.29 0.00 -0.02 0.00 0.00 56.01 55.75 3k1y n LEU 11 Cb 0.53 0.04 0.16 0.00 -1.62 0.00 0.00 43.42 42.54 3k1y n LEU 11 CO 0.39 0.49 0.67 -0.44 -1.22 0.00 0.00 177.39 177.28 3k1y s SER 12 N -5.06 2.94 -0.22 -1.43 0.01 -1.26 -5.03 113.70 103.65 3k1y s SER 12 Ca -0.12 1.07 -0.04 0.00 1.31 0.00 0.00 55.95 58.17 3k1y s SER 12 Cb 0.05 -1.69 0.11 0.00 0.21 0.00 0.00 66.02 64.70 3k1y s SER 12 CO 0.53 -2.92 0.35 0.42 0.41 0.00 0.00 173.24 172.04 3k1y s THR 13 N -3.10 -0.56 1.17 1.44 -4.23 -1.26 -3.58 115.64 105.52 3k1y s THR 13 Ca 0.65 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 61.03 3k1y s THR 13 Cb -0.17 -0.73 0.27 0.00 1.34 0.00 0.00 72.50 73.21 3k1y s THR 13 CO 0.56 -0.07 0.92 -0.81 -0.54 0.00 0.00 174.62 174.68 3k1y n PRO 14 N 5.36 -2.38 -4.69 3.99 -0.04 -1.26 -5.16 135.00 130.83 3k1y n PRO 14 Ca -0.05 -0.66 -0.29 0.00 -0.04 0.00 0.00 63.50 62.45 3k1y n PRO 14 Cb 0.50 -2.13 -0.17 0.00 -0.04 0.00 0.00 33.50 31.67 3k1y n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3k1y s SER 15 N -2.35 2.57 0.23 3.54 0.15 -1.23 -5.01 113.70 111.60 3k1y s SER 15 Ca 0.67 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.82 3k1y s SER 15 Cb -0.24 -1.17 0.24 0.00 -1.71 0.00 0.00 66.02 63.14 3k1y s SER 15 CO 0.65 0.06 1.70 0.28 1.20 0.00 0.00 173.24 177.13 3k1y h SER 16 N 7.16 0.82 -0.45 5.45 0.02 -1.99 -1.75 113.55 122.80 3k1y h SER 16 Ca -0.28 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.46 3k1y h SER 16 Cb 1.19 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3k1y h SER 16 CO 0.49 0.93 0.24 0.74 -1.14 0.00 0.00 176.83 178.09 3k1y h THR 17 N 0.76 1.01 -0.67 -2.27 2.02 -1.94 -1.42 112.91 110.39 3k1y h THR 17 Ca 0.13 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 3k1y h THR 17 Cb 0.57 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3k1y h THR 17 CO 0.03 0.09 0.18 -0.09 0.37 0.00 0.00 175.52 176.10 3k1y h ARG 18 N 0.49 1.05 -0.25 6.66 9.65 -1.90 -1.88 114.38 128.20 3k1y h ARG 18 Ca 0.18 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3k1y h ARG 18 Cb 0.05 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 3k1y h ARG 18 CO -0.11 0.92 0.08 1.96 2.80 0.00 0.00 179.97 185.62 3k1y h GLN 19 N 1.00 0.38 0.00 0.20 4.20 -0.66 0.25 115.11 120.49 3k1y h GLN 19 Ca 0.22 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 3k1y h GLN 19 Cb 0.33 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3k1y h GLN 19 CO -0.00 0.44 -0.39 0.97 -0.67 0.00 0.00 178.83 179.18 3k1y h ILE 20 N 0.24 1.08 -0.44 2.54 2.10 -1.24 -1.72 117.51 120.07 3k1y h ILE 20 Ca 0.08 -1.44 -0.12 0.00 1.08 0.00 0.00 64.86 64.46 3k1y h ILE 20 Cb 0.22 1.82 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 3k1y h ILE 20 CO -0.00 0.38 -0.19 0.00 -1.08 0.00 0.00 178.15 177.26 3k1y h ALA 21 N 1.61 0.62 -0.57 0.18 0.00 -0.85 -1.39 119.26 118.86 3k1y h ALA 21 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 3k1y h ALA 21 Cb 0.79 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3k1y h ALA 21 CO 0.05 0.58 0.11 -0.44 0.00 0.00 0.00 179.25 179.55 3k1y h ASP 22 N 0.74 0.88 -0.01 0.00 3.32 -0.14 -1.01 116.42 120.21 3k1y h ASP 22 Ca 0.10 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3k1y h ASP 22 Cb 0.75 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3k1y h ASP 22 CO 0.06 0.91 -0.00 0.28 -1.72 0.00 0.00 179.24 178.76 3k1y h SER 23 N 0.82 -0.01 -0.13 6.45 0.02 -1.16 0.24 113.55 119.78 3k1y h SER 23 Ca 0.17 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3k1y h SER 23 Cb 0.39 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3k1y h SER 23 CO 0.01 -0.01 -0.09 0.40 -1.14 0.00 0.00 176.83 176.00 3k1y h ILE 24 N -0.00 0.73 -0.76 3.27 1.08 -1.09 0.26 117.51 121.00 3k1y h ILE 24 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3k1y h ILE 24 Cb 0.01 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 3k1y h ILE 24 CO -0.01 0.00 0.34 0.77 -0.69 0.00 0.00 178.15 178.56 3k1y h SER 25 N -0.09 1.00 -0.31 1.72 4.64 -0.93 0.33 113.55 119.91 3k1y h SER 25 Ca 0.08 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 3k1y h SER 25 Cb 0.21 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3k1y h SER 25 CO -0.19 0.86 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.15 3k1y h GLU 26 N 1.09 0.66 -0.39 4.77 5.08 -0.17 0.30 114.58 125.92 3k1y h GLU 26 Ca 0.26 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3k1y h GLU 26 Cb 0.14 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3k1y h GLU 26 CO -0.03 0.87 0.09 0.00 -1.00 0.00 0.00 179.01 178.94 3k1y h ALA 27 N 0.77 1.42 -0.15 3.43 0.00 -0.03 -1.48 119.26 123.22 3k1y h ALA 27 Ca 0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3k1y h ALA 27 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3k1y h ALA 27 CO 0.05 0.42 -0.49 0.28 0.00 0.00 0.00 179.25 179.51 3k1y h VAL 28 N 0.57 1.33 -0.61 0.00 2.07 0.07 -1.79 116.25 117.89 3k1y h VAL 28 Ca 0.13 -1.71 -0.08 0.00 0.82 0.00 0.00 66.70 65.86 3k1y h VAL 28 Cb 0.23 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3k1y h VAL 28 CO -0.00 0.52 0.08 0.74 0.02 0.00 0.00 177.57 178.93 3k1y h THR 29 N 0.31 1.26 -0.34 2.57 2.02 0.03 -1.11 112.91 117.64 3k1y h THR 29 Ca 0.02 -1.02 -0.16 0.00 0.77 0.00 0.00 66.41 66.02 3k1y h THR 29 Cb 0.97 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3k1y h THR 29 CO 0.08 0.38 -0.41 0.00 0.37 0.00 0.00 175.52 175.94 3k1y h ALA 30 N 1.14 0.51 -0.80 6.16 0.00 -1.12 -1.48 119.26 123.67 3k1y h ALA 30 Ca 0.18 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3k1y h ALA 30 Cb 0.44 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3k1y h ALA 30 CO 0.01 0.63 0.40 0.00 0.00 0.00 0.00 179.25 180.29 3k1y h ALA 31 N 0.73 1.03 0.00 0.00 0.00 -1.08 0.17 119.26 120.12 3k1y h ALA 31 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3k1y h ALA 31 Cb 1.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3k1y h ALA 31 CO 0.10 0.58 -0.26 0.28 0.00 0.00 0.00 179.25 179.95 3k1y h VAL 32 N 1.13 0.51 -0.08 0.00 2.07 -1.17 -2.74 116.25 115.97 3k1y h VAL 32 Ca 0.28 -1.46 -0.23 0.00 0.82 0.00 0.00 66.70 66.10 3k1y h VAL 32 Cb 0.10 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3k1y h VAL 32 CO -0.04 0.26 -0.87 -1.28 0.02 0.00 0.00 177.57 175.66 3k1y h SER 33 N 0.00 0.83 0.41 0.57 0.87 -0.50 -1.92 113.55 113.81 3k1y h SER 33 Ca -0.00 -0.59 -0.03 0.00 -1.23 0.00 0.00 61.79 59.93 3k1y h SER 33 Cb 1.03 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3k1y h SER 33 CO 0.03 1.39 -0.15 0.00 -0.53 0.00 0.00 176.83 177.57 3k1y h ALA 34 N 0.58 1.28 -0.36 6.23 0.00 -0.48 -1.86 119.26 124.65 3k1y h ALA 34 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k1y h ALA 34 Cb 1.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3k1y h ALA 34 CO 0.17 0.18 0.00 0.54 0.00 0.00 0.00 179.25 180.14 3k1y n ARG 35 N -3.68 1.95 -0.67 0.00 1.74 -1.05 -4.92 116.66 110.04 3k1y n ARG 35 Ca -0.02 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 3k1y n ARG 35 Cb 0.27 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.01 0.74 3.58 -0.13 0.00 -0.70 -5.06 105.19 104.64 3k1y n GLY 36 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.33 1.89 0.15 1.61 2.02 -0.73 -5.03 118.70 118.28 3k1y s GLU 37 Ca 0.00 -2.07 0.05 0.00 0.02 0.00 0.00 54.97 52.98 3k1y s GLU 37 Cb 0.00 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 3k1y s GLU 37 CO 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 175.26 175.28 3k1y s ALA 38 N -2.84 3.45 -0.03 5.21 0.00 -1.26 -3.45 121.76 122.84 3k1y s ALA 38 Ca 0.35 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3k1y s ALA 38 Cb 0.10 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3k1y s ALA 38 CO 0.17 0.55 -0.16 -1.17 0.00 0.00 0.00 175.76 175.15 3k1y s LEU 39 N -2.90 1.93 -0.13 0.00 1.98 -1.26 -1.50 118.68 116.80 3k1y s LEU 39 Ca 0.29 -0.32 -0.04 0.00 -2.89 0.00 0.00 54.13 51.17 3k1y s LEU 39 Cb -0.10 -0.88 -0.03 0.00 0.66 0.00 0.00 46.19 45.83 3k1y s LEU 39 CO 0.22 0.16 0.02 -0.55 -1.89 0.00 0.00 176.35 174.31 3k1y s SER 40 N -0.07 5.37 -0.15 3.68 0.15 0.62 -4.95 113.70 118.36 3k1y s SER 40 Ca -0.01 0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.77 3k1y s SER 40 Cb -0.10 -1.73 0.01 0.00 -1.71 0.00 0.00 66.02 62.49 3k1y s SER 40 CO 0.01 0.28 -0.22 0.54 1.20 0.00 0.00 173.24 175.06 3k1y s VAL 41 N -0.28 2.07 -0.37 4.45 0.11 -1.26 0.00 120.40 125.12 3k1y s VAL 41 Ca 0.07 -0.97 -0.03 0.00 -2.93 0.00 0.00 61.98 58.12 3k1y s VAL 41 Cb -0.12 -1.83 0.08 0.00 -1.53 0.00 0.00 36.38 32.98 3k1y s VAL 41 CO 0.02 0.55 0.14 -0.55 -3.33 0.00 0.00 175.10 171.92 3k1y s SER 42 N 0.90 5.19 -0.26 3.54 0.15 0.73 -4.98 113.70 118.97 3k1y s SER 42 Ca -0.05 -1.66 -0.10 0.00 0.70 0.00 0.00 55.95 54.84 3k1y s SER 42 Cb -0.15 -1.81 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 3k1y s SER 42 CO -0.04 -0.43 0.16 -0.89 1.20 0.00 0.00 173.24 173.24 3k1y s THR 43 N 1.23 5.19 -0.14 6.45 2.01 -1.26 0.17 115.64 129.29 3k1y s THR 43 Ca 0.03 0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.11 3k1y s THR 43 Cb -0.22 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3k1y s THR 43 CO -0.02 0.29 0.02 -0.63 -0.69 0.00 0.00 174.62 173.59 3k1y s ILE 44 N 1.53 4.43 -0.39 1.82 1.09 0.20 -4.96 121.20 124.92 3k1y s ILE 44 Ca 0.07 -0.18 -0.09 0.00 -1.10 0.00 0.00 60.65 59.36 3k1y s ILE 44 Cb -0.15 -2.94 0.06 0.00 -1.06 0.00 0.00 42.46 38.37 3k1y s ILE 44 CO 0.08 0.52 0.21 -1.61 -0.10 0.00 0.00 174.94 174.04 3k1y s GLU 45 N -0.04 2.64 0.51 2.79 0.41 -1.26 -0.93 118.70 122.81 3k1y s GLU 45 Ca 0.04 -1.32 0.20 0.00 -0.41 0.00 0.00 54.97 53.48 3k1y s GLU 45 Cb -0.13 -3.69 1.29 0.00 -1.78 0.00 0.00 34.13 29.82 3k1y s GLU 45 CO 0.02 -0.84 2.04 -0.07 -0.49 0.00 0.00 175.26 175.92 3k1y h LEU 46 N 8.36 0.07 0.00 1.80 3.38 -1.36 -1.81 115.31 125.75 3k1y h LEU 46 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3k1y h LEU 46 Cb 1.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3k1y h LEU 46 CO 0.70 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.73 3k1y n SER 47 N -4.44 0.00 -0.11 -0.43 3.41 -1.26 -1.45 113.62 109.34 3k1y n SER 47 Ca 0.06 -0.97 0.01 0.00 -0.26 0.00 0.00 58.87 57.71 3k1y n SER 47 Cb 0.41 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.81 1.62 0.00 4.33 1.02 -0.68 -4.50 120.64 121.62 3k1y n GLU 48 Ca 0.11 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 3k1y n GLU 48 Cb 0.05 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 -0.15 1.26 -0.15 -4.62 4.77 -0.53 -4.89 117.00 112.69 3k1y n LEU 49 Ca 0.02 -1.26 -0.09 0.00 -0.03 0.00 0.00 56.01 54.64 3k1y n LEU 49 Cb 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 3k1y n LEU 49 CO 0.01 0.32 0.49 0.40 -1.33 0.00 0.00 177.39 177.29 3k1y h ILE 50 N 0.07 0.00 -0.87 -0.08 2.04 -1.74 0.13 117.51 117.06 3k1y h ILE 50 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 3k1y h ILE 50 Cb 0.18 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.19 3k1y h ILE 50 CO 0.00 0.00 0.51 1.55 0.00 0.00 0.00 178.15 180.21 3k1y h PRO 51 N -0.20 0.82 -0.97 2.37 0.13 -1.93 -0.50 132.00 131.72 3k1y h PRO 51 Ca 0.07 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.20 3k1y h PRO 51 Cb 0.39 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.27 3k1y h PRO 51 CO -0.49 0.54 0.62 -0.44 -0.23 0.00 0.00 178.00 178.01 3k1y h ASP 52 N 0.85 1.01 0.00 1.44 5.19 -1.68 -1.03 116.42 122.21 3k1y h ASP 52 Ca 0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 3k1y h ASP 52 Cb 0.38 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3k1y h ASP 52 CO -0.25 0.66 0.00 0.18 -3.12 0.00 0.00 179.24 176.72 3k1y n LEU 53 N -4.51 0.67 0.00 1.55 4.32 -0.06 -1.46 117.00 117.51 3k1y n LEU 53 Ca 0.14 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 3k1y n LEU 53 Cb 0.15 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 3k1y n LEU 53 CO 0.33 0.13 0.00 0.41 -1.22 0.00 0.00 177.39 177.04 3k1y n THR 55 N 0.50 0.00 0.23 -5.08 -1.04 -0.39 -4.58 114.28 103.92 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 0.13 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 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 1.63 0.00 2.41 0.00 -0.54 0.06 120.51 124.07 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 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3k1y n ALA 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3k1y n THR 58 N 0.75 0.00 -4.16 0.00 -1.04 -1.26 -4.16 114.28 104.41 3k1y n THR 58 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3k1y n THR 58 Cb 0.10 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.50 3k1y n THR 58 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3k1y s THR 59 N 0.00 0.77 -1.25 12.58 2.01 0.11 -5.02 115.64 124.83 3k1y s THR 59 Ca 0.00 -1.71 0.08 0.00 0.31 0.00 0.00 61.69 60.37 3k1y s THR 59 Cb 0.00 -1.41 0.34 0.00 0.01 0.00 0.00 72.50 71.44 3k1y s THR 59 CO 0.00 -0.69 1.15 -2.11 -0.69 0.00 0.00 174.62 172.28 3k1y n ARG 60 N 0.38 2.34 -2.92 4.92 0.00 -1.26 -4.89 116.66 115.23 3k1y n ARG 60 Ca -0.15 -1.34 -0.40 0.00 -0.00 0.00 0.00 57.85 55.96 3k1y n ARG 60 Cb 0.59 -1.59 -0.05 0.00 -0.00 0.00 0.00 32.46 31.41 3k1y n ARG 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3k1y s VAL 61 N -1.69 4.57 -0.14 8.89 1.01 -1.26 -4.98 120.40 126.79 3k1y s VAL 61 Ca 0.24 1.75 -0.03 0.00 0.00 0.00 0.00 61.98 63.94 3k1y s VAL 61 Cb 0.16 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3k1y s VAL 61 CO 0.11 0.40 -0.05 -1.00 0.00 0.00 0.00 175.10 174.56 3k1y s HIS 62 N -0.38 3.00 1.00 5.22 3.76 -1.26 -3.45 115.29 123.18 3k1y s HIS 62 Ca 0.39 -0.29 -0.12 0.00 -0.15 0.00 0.00 55.06 54.89 3k1y s HIS 62 Cb -0.22 -1.91 0.19 0.00 1.11 0.00 0.00 32.58 31.75 3k1y s HIS 62 CO 0.25 -0.00 1.09 0.95 -0.85 0.00 0.00 174.74 176.18 3k1y s THR 63 N 0.20 2.10 0.22 1.30 -4.23 -1.26 -4.72 115.64 109.24 3k1y s THR 63 Ca -0.03 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 3k1y s THR 63 Cb -0.14 -2.51 0.17 0.00 1.34 0.00 0.00 72.50 71.37 3k1y s THR 63 CO 0.03 -0.04 1.84 0.74 -0.54 0.00 0.00 174.62 176.65 3k1y h THR 64 N -1.91 1.24 -0.08 3.99 2.02 -1.99 0.34 112.91 116.52 3k1y h THR 64 Ca -0.55 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 3k1y h THR 64 Cb 1.33 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3k1y h THR 64 CO 0.57 0.26 0.05 0.50 0.37 0.00 0.00 175.52 177.27 3k1y h LYS 65 N 1.13 0.11 0.00 6.66 3.64 -2.01 -2.51 116.57 123.60 3k1y h LYS 65 Ca 0.29 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 3k1y h LYS 65 Cb 0.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3k1y h LYS 65 CO -0.05 0.13 -0.37 1.25 -2.27 0.00 0.00 179.45 178.14 3k1y h LEU 66 N 0.06 0.00 -0.62 5.20 5.85 -1.82 -2.33 115.31 121.66 3k1y h LEU 66 Ca 0.03 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3k1y h LEU 66 Cb 0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3k1y h LEU 66 CO -0.01 0.37 0.10 -0.08 -0.34 0.00 0.00 178.44 178.49 3k1y h GLU 67 N 0.00 1.03 -0.06 1.25 4.57 -0.65 0.14 114.58 120.85 3k1y h GLU 67 Ca -0.00 -0.28 -0.21 0.00 -1.18 0.00 0.00 59.36 57.69 3k1y h GLU 67 Cb 0.70 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 3k1y h GLU 67 CO 0.05 0.96 -0.84 0.93 -1.18 0.00 0.00 179.01 178.93 3k1y h GLU 68 N 0.93 0.51 0.12 1.92 5.08 -1.33 -1.83 114.58 119.98 3k1y h GLU 68 Ca 0.19 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3k1y h GLU 68 Cb 0.43 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3k1y h GLU 68 CO 0.01 1.11 -0.06 0.82 -1.00 0.00 0.00 179.01 179.89 3k1y h ILE 69 N 0.33 0.95 -0.12 3.13 2.04 -1.20 -0.43 117.51 122.21 3k1y h ILE 69 Ca -0.06 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 3k1y h ILE 69 Cb 1.45 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3k1y h ILE 69 CO 0.15 0.07 -0.49 0.71 0.00 0.00 0.00 178.15 178.59 3k1y h THR 70 N -0.29 1.34 -0.02 -0.27 1.35 -1.02 -1.53 112.91 112.47 3k1y h THR 70 Ca -0.02 -1.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 3k1y h THR 70 Cb 0.23 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3k1y h THR 70 CO 0.03 0.52 -0.01 0.28 -0.25 0.00 0.00 175.52 176.08 3k1y h SER 71 N 0.24 0.05 -0.35 5.36 0.02 -1.26 -2.21 113.55 115.41 3k1y h SER 71 Ca 0.01 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 3k1y h SER 71 Cb 0.96 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 3k1y h SER 71 CO 0.08 0.48 0.18 0.00 -1.14 0.00 0.00 176.83 176.43 3k1y h ALA 72 N 0.58 1.59 0.50 3.77 0.00 -1.09 -1.57 119.26 123.03 3k1y h ALA 72 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3k1y h ALA 72 Cb 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k1y h ALA 72 CO 0.00 0.33 -0.32 1.25 0.00 0.00 0.00 179.25 180.51 3k1y h LEU 73 N 0.54 -0.82 -2.71 0.00 5.85 -1.12 0.11 115.31 117.16 3k1y h LEU 73 Ca 0.14 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3k1y h LEU 73 Cb 0.07 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3k1y h LEU 73 CO -0.02 -0.49 -0.00 0.28 -0.34 0.00 0.00 178.44 177.87 3k1y h SER 74 N -0.78 0.00 0.88 1.25 0.02 -1.25 -1.09 113.55 112.58 3k1y h SER 74 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3k1y h SER 74 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3k1y h SER 74 CO 0.06 0.00 -0.38 0.00 -1.14 0.00 0.00 176.83 175.37 3k1y n ALA 75 N -2.20 2.89 -1.23 3.77 0.00 -0.61 -4.94 120.51 118.19 3k1y n ALA 75 Ca -0.03 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 3k1y n ALA 75 Cb 0.08 -1.26 0.09 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.71 4.36 -0.06 0.00 0.01 -0.02 -4.97 113.70 109.31 3k1y s SER 76 Ca 0.10 1.96 0.09 0.00 1.31 0.00 0.00 55.95 59.41 3k1y s SER 76 Cb 0.15 -2.54 -0.24 0.00 0.21 0.00 0.00 66.02 63.61 3k1y s SER 76 CO 0.66 -2.13 0.58 0.47 0.41 0.00 0.00 173.24 173.23 3k1y n ASP 77 N -3.33 1.10 -4.08 2.44 8.00 -0.88 -4.96 116.55 114.84 3k1y n ASP 77 Ca 0.10 0.36 -0.09 0.00 0.71 0.00 0.00 54.79 55.87 3k1y n ASP 77 Cb 0.52 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.33 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 -5.22 0.49 -0.01 0.44 0.00 -0.93 -4.18 107.32 97.91 3k1y s GLY 78 Ca -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.60 3k1y s GLY 78 CO 0.81 -1.14 -0.03 -2.27 0.00 0.00 0.00 173.10 170.47 3k1y s LEU 79 N -2.45 1.87 -0.09 0.66 2.96 -0.35 -1.30 118.68 119.98 3k1y s LEU 79 Ca 0.01 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3k1y s LEU 79 Cb 0.01 -0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.50 3k1y s LEU 79 CO -0.05 0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.15 3k1y s VAL 80 N 0.10 1.50 -0.06 1.68 1.01 -0.33 -1.48 120.40 122.83 3k1y s VAL 80 Ca -0.01 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3k1y s VAL 80 Cb -0.04 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 3k1y s VAL 80 CO -0.00 0.44 -0.20 0.68 0.00 0.00 0.00 175.10 176.02 3k1y s VAL 81 N 0.77 1.64 0.03 2.92 -7.23 -0.81 -1.32 120.40 116.41 3k1y s VAL 81 Ca -0.11 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 3k1y s VAL 81 Cb -0.16 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 3k1y s VAL 81 CO 0.02 0.47 -0.10 0.00 -0.31 0.00 0.00 175.10 175.18 3k1y s ALA 82 N 0.12 0.80 -0.12 1.32 0.00 -0.03 -0.24 121.76 123.62 3k1y s ALA 82 Ca -0.08 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 3k1y s ALA 82 Cb -0.14 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.94 3k1y s ALA 82 CO 0.04 0.11 0.44 -0.08 0.00 0.00 0.00 175.76 176.27 3k1y s THR 83 N -0.89 0.02 0.92 0.00 -1.32 -1.12 -2.79 115.64 110.46 3k1y s THR 83 Ca -0.02 -0.13 -0.13 0.00 -1.21 0.00 0.00 61.69 60.20 3k1y s THR 83 Cb -0.07 -0.67 0.14 0.00 -1.51 0.00 0.00 72.50 70.39 3k1y s THR 83 CO 0.01 -0.07 1.15 -2.16 -2.21 0.00 0.00 174.62 171.34 3k1y s PRO 84 N -0.34 1.05 -0.28 7.08 0.04 -1.26 -1.78 135.00 139.51 3k1y s PRO 84 Ca -0.05 0.22 -0.05 0.00 0.04 0.00 0.00 61.00 61.16 3k1y s PRO 84 Cb -0.03 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.69 3k1y s PRO 84 CO 0.03 -2.24 0.03 0.08 0.04 0.00 0.00 177.00 174.93 3k1y s VAL 85 N -3.32 3.50 -0.11 -0.36 1.01 -1.12 -3.90 120.40 116.09 3k1y s VAL 85 Ca 0.65 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3k1y s VAL 85 Cb -0.14 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 3k1y s VAL 85 CO 0.53 0.10 -0.19 -0.36 0.00 0.00 0.00 175.10 175.17 3k1y s PHE 86 N 1.42 2.66 -1.47 5.22 0.08 -0.60 -4.67 117.98 120.62 3k1y s PHE 86 Ca 0.01 -0.85 -0.12 0.00 0.12 0.00 0.00 56.93 56.09 3k1y s PHE 86 Cb -0.17 -1.76 0.06 0.00 -0.57 0.00 0.00 43.02 40.58 3k1y s PHE 86 CO -0.00 -0.32 1.05 1.63 -0.10 0.00 0.00 175.22 177.48 3k1y n LYS 87 N 3.48 -6.33 -2.06 0.44 4.76 -1.26 -2.13 118.16 115.06 3k1y n LYS 87 Ca -0.19 0.67 -0.16 0.00 -2.87 0.00 0.00 58.31 55.76 3k1y n LYS 87 Cb 0.53 -5.62 -0.03 0.00 -1.84 0.00 0.00 35.03 28.07 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 -4.79 -0.41 -3.07 7.82 0.00 -1.26 -4.96 120.51 113.84 3k1y n ALA 88 Ca 0.02 0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 3k1y n ALA 88 Cb 0.54 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.00 -0.18 -4.80 0.00 2.88 -0.91 -4.91 113.62 104.70 3k1y n SER 89 Ca -0.19 -1.14 -0.30 0.00 -1.33 0.00 0.00 58.87 55.91 3k1y n SER 89 Cb 0.62 0.31 0.09 0.00 -0.75 0.00 0.00 64.21 64.47 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 -7.89 2.83 0.55 0.66 -0.85 -1.26 -1.56 117.35 109.84 3k1y s TYR 90 Ca 0.02 1.24 -0.20 0.00 -0.52 0.00 0.00 57.07 57.61 3k1y s TYR 90 Cb -0.00 -3.07 -0.05 0.00 0.38 0.00 0.00 41.96 39.22 3k1y s TYR 90 CO 0.01 -1.71 1.19 0.99 -1.52 0.00 0.00 175.55 174.51 3k1y s THR 91 N -3.10 2.82 0.25 -3.49 2.01 -1.25 -4.61 115.64 108.26 3k1y s THR 91 Ca 0.60 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.13 3k1y s THR 91 Cb -0.15 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.19 3k1y s THR 91 CO 0.55 -0.09 1.68 1.23 -0.69 0.00 0.00 174.62 177.29 3k1y h GLY 92 N 1.19 0.67 1.03 4.40 0.00 -1.94 -0.14 103.07 108.27 3k1y h GLY 92 Ca -0.50 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.23 3k1y h GLY 92 CO 0.57 0.51 0.28 -2.00 0.00 0.00 0.00 176.54 175.90 3k1y h LEU 93 N 0.54 1.00 0.17 3.11 5.85 -1.95 -2.53 115.31 121.51 3k1y h LEU 93 Ca 0.08 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3k1y h LEU 93 Cb 0.71 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3k1y h LEU 93 CO 0.05 0.91 -0.16 0.15 -0.34 0.00 0.00 178.44 179.06 3k1y h PHE 94 N 1.04 -0.40 0.00 1.25 3.57 -1.71 -2.87 116.94 117.82 3k1y h PHE 94 Ca 0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3k1y h PHE 94 Cb 0.22 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3k1y h PHE 94 CO 0.02 -0.24 0.00 1.17 -2.23 0.00 0.00 178.31 177.03 3k1y n LYS 95 N -5.28 0.11 0.00 1.11 3.00 -0.13 -3.30 118.16 113.67 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 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.78 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 1.52 0.00 0.23 5.64 7.35 -1.08 -1.12 117.46 130.00 3k1y n PHE 97 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 3k1y n PHE 97 Cb 0.05 0.00 0.51 0.00 0.35 0.00 0.00 39.48 40.39 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 0.00 -0.13 -5.13 0.04 -1.86 -2.68 116.94 107.18 3k1y h PHE 98 Ca 0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3k1y h PHE 98 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3k1y h PHE 98 CO 0.00 0.20 -0.49 -0.44 -0.60 0.00 0.00 178.31 176.99 3k1y h ASP 99 N 0.00 0.37 1.15 2.17 3.32 -1.43 -3.16 116.42 118.84 3k1y h ASP 99 Ca -0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3k1y h ASP 99 Cb 0.68 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3k1y h ASP 99 CO 0.03 0.80 0.00 0.40 -1.72 0.00 0.00 179.24 178.75 3k1y h ILE 100 N 0.28 0.00 -4.15 0.35 2.04 -1.74 -3.46 117.51 110.82 3k1y h ILE 100 Ca 0.01 -0.51 -0.50 0.00 1.00 0.00 0.00 64.86 64.87 3k1y h ILE 100 Cb 0.96 1.43 0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3k1y h ILE 100 CO 0.08 0.00 0.34 -0.76 0.00 0.00 0.00 178.15 177.81 3k1y s LEU 101 N -5.52 3.41 0.42 1.44 1.43 -1.20 -5.04 118.68 113.63 3k1y s LEU 101 Ca 0.04 1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 54.24 3k1y s LEU 101 Cb 0.09 -4.35 -0.08 0.00 0.03 0.00 0.00 46.19 41.88 3k1y s LEU 101 CO 0.53 -0.73 1.17 -1.81 0.23 0.00 0.00 176.35 175.73 3k1y s ASP 102 N -3.89 6.38 0.39 2.29 1.01 -1.26 -4.90 116.67 116.70 3k1y s ASP 102 Ca 0.54 2.33 0.22 0.00 0.71 0.00 0.00 52.55 56.35 3k1y s ASP 102 Cb -0.11 -2.61 1.27 0.00 1.01 0.00 0.00 42.92 42.48 3k1y s ASP 102 CO 0.47 -0.77 1.65 0.74 0.21 0.00 0.00 175.17 177.46 3k1y h THR 103 N 2.14 0.22 -0.66 -1.27 2.02 -1.96 0.90 112.91 114.30 3k1y h THR 103 Ca -0.49 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 66.46 3k1y h THR 103 Cb 1.24 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 67.56 3k1y h THR 103 CO 0.62 0.04 0.20 -0.90 0.37 0.00 0.00 175.52 175.84 3k1y n ASP 104 N -4.87 4.76 -0.26 4.18 5.75 -1.26 -4.67 116.55 120.18 3k1y n ASP 104 Ca 0.34 -3.20 -0.06 0.00 -0.01 0.00 0.00 54.79 51.86 3k1y n ASP 104 Cb 1.20 -0.72 0.05 0.00 -1.03 0.00 0.00 41.12 40.63 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 2.68 0.93 -0.28 2.12 0.00 -1.17 -3.23 119.26 120.31 3k1y h ALA 105 Ca 0.21 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3k1y h ALA 105 Cb 2.19 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 3k1y h ALA 105 CO 0.65 0.46 -0.07 1.28 0.00 0.00 0.00 179.25 181.56 3k1y n LEU 106 N -4.46 3.86 -4.65 0.00 4.77 -1.26 -4.43 117.00 110.83 3k1y n LEU 106 Ca 0.06 -3.53 -0.42 0.00 -0.03 0.00 0.00 56.01 52.09 3k1y n LEU 106 Cb 0.10 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 3k1y n LEU 106 CO 0.38 1.07 1.60 -0.89 -1.33 0.00 0.00 177.39 178.22 3k1y s THR 107 N -3.11 3.12 -0.01 -5.08 2.01 -1.22 -3.33 115.64 108.01 3k1y s THR 107 Ca 0.43 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.56 3k1y s THR 107 Cb 0.38 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.79 3k1y s THR 107 CO 0.02 -0.02 0.01 0.61 -0.69 0.00 0.00 174.62 174.54 3k1y n GLY 108 N 4.70 -3.01 3.02 4.40 0.00 0.80 -4.92 105.19 110.19 3k1y n GLY 108 Ca 0.21 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.78 1.75 -0.02 1.61 0.02 -1.26 -4.45 135.00 131.88 3k1y s PRO 110 Ca -0.01 -0.42 -0.06 0.00 0.02 0.00 0.00 61.00 60.53 3k1y s PRO 110 Cb 0.00 -1.48 0.01 0.00 0.02 0.00 0.00 34.50 33.05 3k1y s PRO 110 CO 0.03 -0.00 0.14 0.99 -0.33 0.00 0.00 177.00 177.83 3k1y s THR 111 N 0.77 0.05 -0.20 0.99 2.01 -0.03 -1.21 115.64 118.03 3k1y s THR 111 Ca -0.12 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 3k1y s THR 111 Cb -0.15 -0.34 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 3k1y s THR 111 CO 0.02 -0.22 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.01 3k1y s ILE 112 N -0.76 3.00 -0.06 1.82 1.01 -0.55 -0.96 121.20 124.71 3k1y s ILE 112 Ca -0.08 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 3k1y s ILE 112 Cb -0.05 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 3k1y s ILE 112 CO 0.01 0.47 0.22 0.27 0.00 0.00 0.00 174.94 175.91 3k1y s ILE 113 N 1.27 5.37 0.12 2.92 -0.00 -1.26 -1.92 121.20 127.69 3k1y s ILE 113 Ca 0.03 0.30 -0.02 0.00 -0.00 0.00 0.00 60.65 60.96 3k1y s ILE 113 Cb -0.14 -3.51 -0.03 0.00 -0.00 0.00 0.00 42.46 38.78 3k1y s ILE 113 CO -0.04 0.53 0.08 0.00 -0.00 0.00 0.00 174.94 175.51 3k1y s ALA 114 N -1.12 0.67 0.09 2.27 0.00 0.67 -1.71 121.76 122.64 3k1y s ALA 114 Ca 0.20 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 3k1y s ALA 114 Cb -0.13 0.77 0.08 0.00 0.00 0.00 0.00 23.12 23.84 3k1y s ALA 114 CO 0.10 -0.49 0.79 0.00 0.00 0.00 0.00 175.76 176.15 3k1y s ALA 115 N -4.01 -1.69 0.06 0.00 0.00 -0.70 -2.80 121.76 112.62 3k1y s ALA 115 Ca 0.20 0.64 -0.08 0.00 0.00 0.00 0.00 51.96 52.72 3k1y s ALA 115 Cb 0.07 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 3k1y s ALA 115 CO -0.00 -0.79 0.16 -0.08 0.00 0.00 0.00 175.76 175.05 3k1y s THR 116 N -3.40 0.14 0.14 0.00 -1.32 -0.74 -1.47 115.64 108.99 3k1y s THR 116 Ca 0.05 -1.12 -0.13 0.00 -1.21 0.00 0.00 61.69 59.28 3k1y s THR 116 Cb -0.01 -1.13 0.05 0.00 -1.51 0.00 0.00 72.50 69.90 3k1y s THR 116 CO -0.08 -0.62 0.65 0.00 -2.21 0.00 0.00 174.62 172.37 3k1y n ALA 117 N 0.36 -1.67 0.14 11.08 0.00 -0.99 -2.79 120.51 126.64 3k1y n ALA 117 Ca -0.17 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.50 3k1y n ALA 117 Cb 0.60 0.41 -0.04 0.00 0.00 0.00 0.00 19.45 20.42 3k1y n ALA 117 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3k1y h GLY 118 N 1.28 -0.46 -0.29 0.00 0.00 -1.94 -1.61 103.07 100.05 3k1y h GLY 118 Ca -0.18 0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3k1y h GLY 118 CO 0.24 -0.17 -0.01 -1.14 0.00 0.00 0.00 176.54 175.47 3k1y n SER 119 N -5.07 0.37 -0.68 0.19 3.41 -1.26 -1.61 113.62 108.97 3k1y n SER 119 Ca -0.06 -1.27 0.07 0.00 -0.26 0.00 0.00 58.87 57.35 3k1y n SER 119 Cb 0.20 -0.08 0.12 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.89 2.37 0.04 7.33 0.00 -1.26 -4.60 120.51 121.51 3k1y n ALA 120 Ca -0.02 -0.85 0.22 0.00 0.00 0.00 0.00 53.44 52.79 3k1y n ALA 120 Cb 0.11 -0.52 0.72 0.00 0.00 0.00 0.00 19.45 19.76 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 2.73 0.00 -0.43 0.00 0.11 -2.00 -0.47 114.38 114.32 3k1y h ARG 121 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 3k1y h ARG 121 Cb 0.68 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.74 3k1y h ARG 121 CO 0.00 0.00 0.03 0.72 0.10 0.00 0.00 179.97 180.82 3k1y n HIS 122 N -3.73 1.52 -0.02 4.08 8.25 -1.26 -4.68 115.22 119.37 3k1y n HIS 122 Ca 0.09 -0.90 0.12 0.00 -0.26 0.00 0.00 57.72 56.77 3k1y n HIS 122 Cb 0.72 -0.44 0.54 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 2.60 0.28 0.00 0.41 4.64 -1.41 -1.96 113.55 118.12 3k1y h SER 123 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3k1y h SER 123 Cb 1.75 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 3k1y h SER 123 CO 0.38 0.18 0.00 0.18 -0.87 0.00 0.00 176.83 176.70 3k1y n LEU 124 N -4.47 0.00 0.16 5.97 4.77 -1.26 -2.22 117.00 119.95 3k1y n LEU 124 Ca 0.07 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 3k1y n LEU 124 Cb 0.33 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.77 3k1y n LEU 124 CO 0.35 0.00 0.76 1.62 -1.33 0.00 0.00 177.39 178.78 3k1y h VAL 125 N 0.00 1.25 0.11 4.08 3.04 -1.70 -2.29 116.25 120.73 3k1y h VAL 125 Ca 0.00 -1.17 0.02 0.00 -1.01 0.00 0.00 66.70 64.54 3k1y h VAL 125 Cb 0.00 1.57 -0.03 0.00 -2.01 0.00 0.00 31.29 30.82 3k1y h VAL 125 CO 0.00 0.34 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.62 3k1y h LEU 126 N 0.08 -0.58 -1.16 3.16 3.38 -1.70 -0.35 115.31 118.13 3k1y h LEU 126 Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k1y h LEU 126 Cb 0.60 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3k1y h LEU 126 CO 0.04 -0.29 0.00 0.47 0.09 0.00 0.00 178.44 178.75 3k1y n ASP 127 N -5.33 1.77 0.00 -0.43 8.00 -1.16 -0.42 116.55 118.97 3k1y n ASP 127 Ca -0.07 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3k1y n ASP 127 Cb 0.25 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3k1y n ASP 127 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k1y n TYR 128 N 0.38 0.00 0.05 1.24 4.01 -0.87 -4.63 117.16 117.33 3k1y n TYR 128 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 3k1y n TYR 128 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.24 3.00 -0.03 -0.72 0.00 -0.17 -4.82 120.51 117.53 3k1y n ALA 129 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3k1y n ALA 129 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 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 0.20 -0.56 0.00 4.07 -1.50 -1.87 115.31 115.64 3k1y h LEU 130 Ca 0.00 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.92 3k1y h LEU 130 Cb 0.00 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 3k1y h LEU 130 CO 0.00 0.19 0.37 -0.09 -1.08 0.00 0.00 178.44 177.83 3k1y h ARG 131 N 0.19 0.73 -0.30 1.13 2.43 -0.99 -0.19 114.38 117.38 3k1y h ARG 131 Ca 0.06 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3k1y h ARG 131 Cb 0.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3k1y h ARG 131 CO -0.01 0.48 -0.05 -1.35 -1.51 0.00 0.00 179.97 177.53 3k1y h PRO 132 N 0.75 0.47 0.62 0.20 0.11 -1.79 -0.39 132.00 131.97 3k1y h PRO 132 Ca 0.21 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3k1y h PRO 132 Cb -0.08 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 30.98 3k1y h PRO 132 CO -0.05 0.54 -0.30 1.25 -0.21 0.00 0.00 178.00 179.23 3k1y h LEU 133 N 0.44 -0.71 -1.06 2.35 5.85 -0.43 -1.41 115.31 120.34 3k1y h LEU 133 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3k1y h LEU 133 Cb 0.38 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3k1y h LEU 133 CO 0.02 -0.38 0.46 -0.07 -0.34 0.00 0.00 178.44 178.12 3k1y h LEU 134 N -1.03 0.99 -0.32 2.25 -0.00 -1.00 -2.81 115.31 113.39 3k1y h LEU 134 Ca -0.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 3k1y h LEU 134 Cb 0.69 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 3k1y h LEU 134 CO 0.14 0.78 0.17 0.28 -0.00 0.00 0.00 178.44 179.80 3k1y h SER 135 N 1.12 0.41 0.00 -0.43 0.02 -1.04 -2.00 113.55 111.63 3k1y h SER 135 Ca 0.29 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3k1y h SER 135 Cb -0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3k1y h SER 135 CO -0.05 0.40 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 3k1y n TYR 136 N -4.78 0.00 -2.16 3.45 9.36 -0.54 -4.12 117.16 118.37 3k1y n TYR 136 Ca -0.01 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.19 3k1y n TYR 136 Cb 0.09 -0.14 -0.02 0.00 -0.63 0.00 0.00 39.34 38.64 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 1.37 0.00 -2.57 2.98 1.74 -1.09 -5.12 116.66 113.97 3k1y n ARG 138 Ca 0.00 -1.15 -0.30 0.00 -0.77 0.00 0.00 57.85 55.62 3k1y n ARG 138 Cb 0.00 0.12 -0.02 0.00 -1.02 0.00 0.00 32.46 31.54 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 3.26 -0.44 7.54 0.00 -0.77 -0.14 121.76 131.21 3k1y s ALA 139 Ca 0.11 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 3k1y s ALA 139 Cb 0.12 -2.83 0.07 0.00 0.00 0.00 0.00 23.12 20.48 3k1y s ALA 139 CO -0.05 -0.22 0.31 0.54 0.00 0.00 0.00 175.76 176.33 3k1y s VAL 140 N -2.61 4.71 -0.36 0.00 0.11 -1.26 -4.43 120.40 116.55 3k1y s VAL 140 Ca 0.53 -1.18 -0.22 0.00 -2.93 0.00 0.00 61.98 58.19 3k1y s VAL 140 Cb -0.10 -3.82 0.01 0.00 -1.53 0.00 0.00 36.38 30.94 3k1y s VAL 140 CO 0.37 -0.50 0.70 -0.69 -3.33 0.00 0.00 175.10 171.65 3k1y s VAL 141 N 1.54 4.82 0.45 2.04 1.01 -1.26 -0.85 120.40 128.15 3k1y s VAL 141 Ca 0.03 0.70 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 3k1y s VAL 141 Cb -0.23 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.92 3k1y s VAL 141 CO 0.05 -0.38 1.04 1.33 0.00 0.00 0.00 175.10 177.15 3k1y n VAL 142 N 5.68 2.68 -0.24 2.92 0.24 -0.13 -4.89 118.33 124.60 3k1y n VAL 142 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3k1y n VAL 142 Cb 0.48 -1.23 0.07 0.00 -1.47 0.00 0.00 33.84 31.70 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 1.44 -0.01 -5.89 7.34 0.11 -1.96 -3.39 132.00 129.65 3k1y h PRO 143 Ca -0.46 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.23 3k1y h PRO 143 Cb 1.33 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 3k1y h PRO 143 CO 0.56 -0.00 1.08 0.99 -0.21 0.00 0.00 178.00 180.42 3k1y s THR 144 N -6.23 3.44 0.54 -1.15 2.01 -1.26 -4.99 115.64 108.01 3k1y s THR 144 Ca -0.14 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 3k1y s THR 144 Cb 0.20 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3k1y s THR 144 CO 0.74 -1.03 0.95 -0.83 -0.69 0.00 0.00 174.62 173.77 3k1y s GLY 145 N 7.69 1.80 -0.25 4.40 0.00 -1.26 -4.72 107.32 114.99 3k1y s GLY 145 Ca 0.66 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 45.33 3k1y s GLY 145 CO 0.10 0.18 -0.11 0.14 0.00 0.00 0.00 173.10 173.40 3k1y s VAL 146 N -2.85 2.25 -0.25 1.40 1.01 -0.69 -5.03 120.40 116.25 3k1y s VAL 146 Ca 0.55 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 3k1y s VAL 146 Cb -0.10 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3k1y s VAL 146 CO 0.43 0.07 -0.05 0.12 0.00 0.00 0.00 175.10 175.67 3k1y s PHE 147 N 1.15 3.05 -0.48 5.22 5.36 -1.26 -1.72 117.98 129.30 3k1y s PHE 147 Ca -0.06 -1.43 -0.17 0.00 -0.96 0.00 0.00 56.93 54.31 3k1y s PHE 147 Cb -0.19 -2.08 0.06 0.00 -0.34 0.00 0.00 43.02 40.48 3k1y s PHE 147 CO -0.06 -0.70 0.49 0.00 -1.46 0.00 0.00 175.22 173.49 3k1y s ALA 148 N 1.36 3.49 -0.53 11.12 0.00 -0.54 -5.01 121.76 131.64 3k1y s ALA 148 Ca 0.01 -1.94 -0.22 0.00 0.00 0.00 0.00 51.96 49.82 3k1y s ALA 148 Cb -0.16 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.83 3k1y s ALA 148 CO -0.04 -1.83 0.80 0.00 0.00 0.00 0.00 175.76 174.69 3k1y s ALA 149 N 2.05 3.26 -0.26 0.00 0.00 -1.26 -2.35 121.76 123.21 3k1y s ALA 149 Ca 0.09 -1.49 0.19 0.00 0.00 0.00 0.00 51.96 50.76 3k1y s ALA 149 Cb -0.22 -3.56 1.06 0.00 0.00 0.00 0.00 23.12 20.40 3k1y s ALA 149 CO 0.09 -2.22 1.59 0.25 0.00 0.00 0.00 175.76 175.48 3k1y n THR 150 N 5.92 1.11 1.24 0.00 -2.24 -0.61 -0.85 114.28 118.85 3k1y n THR 150 Ca -0.02 0.72 0.13 0.00 -2.27 0.00 0.00 64.05 62.61 3k1y n THR 150 Cb 0.46 -1.72 0.44 0.00 -2.10 0.00 0.00 70.33 67.41 3k1y n THR 150 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k1y n GLU 151 N -2.19 0.62 -0.57 -0.78 1.02 -0.63 -4.07 120.64 114.03 3k1y n GLU 151 Ca -0.01 -0.31 0.05 0.00 -0.02 0.00 0.00 57.16 56.87 3k1y n GLU 151 Cb 0.04 -1.49 0.20 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.92 1.84 -4.92 1.62 8.00 -0.03 -5.04 116.55 117.11 3k1y n ASP 152 Ca 0.11 -3.82 -0.27 0.00 0.71 0.00 0.00 54.79 51.52 3k1y n ASP 152 Cb 0.32 -0.53 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 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 -3.21 3.34 0.21 1.24 0.08 -1.25 -3.13 117.98 115.26 3k1y s PHE 153 Ca 0.38 0.68 0.00 0.00 0.12 0.00 0.00 56.93 58.11 3k1y s PHE 153 Cb 0.37 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 3k1y s PHE 153 CO -0.05 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 174.81 3k1y n GLY 154 N -2.48 -3.04 6.44 4.36 0.00 -1.26 -4.65 105.19 104.56 3k1y n GLY 154 Ca 0.03 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.44 -1.63 0.27 -0.02 0.00 -1.26 -3.05 105.19 97.06 3k1y n GLY 155 Ca -0.02 -1.25 0.05 0.00 0.00 0.00 0.00 46.02 44.80 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 0.38 0.31 1.61 0.11 -1.97 -1.77 132.00 130.67 3k1y h PRO 156 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3k1y h PRO 156 Cb 0.05 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3k1y h PRO 156 CO 0.00 0.25 -0.44 0.93 -0.21 0.00 0.00 178.00 178.54 3k1y h GLU 157 N 0.39 -0.77 -0.20 1.05 5.08 -1.86 -1.57 114.58 116.71 3k1y h GLU 157 Ca 0.40 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.77 3k1y h GLU 157 Cb 0.62 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3k1y h GLU 157 CO -0.42 -0.51 -0.07 0.78 -1.00 0.00 0.00 179.01 177.79 3k1y h GLY 158 N -0.80 0.33 1.97 -3.84 0.00 -1.43 -0.49 103.07 98.80 3k1y h GLY 158 Ca -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3k1y h GLY 158 CO -0.14 0.17 -0.14 0.00 0.00 0.00 0.00 176.54 176.44 3k1y h ALA 159 N 1.64 1.73 0.04 3.60 0.00 -0.93 0.16 119.26 125.51 3k1y h ALA 159 Ca 0.06 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 3k1y h ALA 159 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3k1y h ALA 159 CO 0.01 0.20 -1.19 1.49 0.00 0.00 0.00 179.25 179.77 3k1y h GLU 160 N 0.03 0.09 -0.31 0.00 4.22 -0.25 -3.25 114.58 115.12 3k1y h GLU 160 Ca 0.01 -0.16 -0.08 0.00 0.08 0.00 0.00 59.36 59.21 3k1y h GLU 160 Cb 0.26 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3k1y h GLU 160 CO 0.02 1.01 -0.14 0.35 -2.18 0.00 0.00 179.01 178.08 3k1y h PHE 161 N 0.03 0.73 -0.13 0.92 3.57 0.15 -1.69 116.94 120.51 3k1y h PHE 161 Ca -0.09 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.21 3k1y h PHE 161 Cb 1.87 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 3k1y h PHE 161 CO 0.02 0.85 -0.01 -0.91 -2.23 0.00 0.00 178.31 176.03 3k1y h ASN 162 N 0.39 0.16 0.02 0.41 2.35 -1.13 0.26 115.58 118.04 3k1y h ASN 162 Ca 0.07 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 3k1y h ASN 162 Cb 0.66 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3k1y h ASN 162 CO 0.04 0.21 -0.53 0.50 -1.65 0.00 0.00 177.43 176.00 3k1y h LYS 163 N 0.18 0.55 -0.44 0.81 1.63 -1.53 -1.41 116.57 116.36 3k1y h LYS 163 Ca 0.04 -0.34 -0.09 0.00 -0.85 0.00 0.00 60.65 59.42 3k1y h LYS 163 Cb 0.14 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3k1y h LYS 163 CO 0.00 0.94 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.77 3k1y h ARG 164 N 0.43 0.77 -0.56 1.90 2.43 -0.11 -0.27 114.38 118.96 3k1y h ARG 164 Ca 0.01 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 3k1y h ARG 164 Cb 1.06 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 3k1y h ARG 164 CO 0.10 0.83 0.27 0.82 -1.51 0.00 0.00 179.97 180.48 3k1y h ILE 165 N 0.70 1.21 -0.57 1.20 2.04 -0.74 -1.82 117.51 119.54 3k1y h ILE 165 Ca 0.12 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3k1y h ILE 165 Cb 0.56 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3k1y h ILE 165 CO 0.03 0.23 0.31 0.00 0.00 0.00 0.00 178.15 178.73 3k1y h ALA 166 N 1.10 0.72 -0.66 1.87 0.00 -0.66 -0.88 119.26 120.76 3k1y h ALA 166 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3k1y h ALA 166 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3k1y h ALA 166 CO -0.02 0.24 0.33 -0.09 0.00 0.00 0.00 179.25 179.71 3k1y h ARG 167 N 0.76 0.92 -0.41 0.00 2.43 -0.78 0.95 114.38 118.25 3k1y h ARG 167 Ca 0.20 -0.11 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 3k1y h ARG 167 Cb 0.05 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3k1y h ARG 167 CO -0.03 0.70 -0.34 0.00 -1.51 0.00 0.00 179.97 178.79 3k1y h ALA 168 N 1.44 0.61 -0.59 2.80 0.00 -0.87 -2.27 119.26 120.39 3k1y h ALA 168 Ca 0.23 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3k1y h ALA 168 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k1y h ALA 168 CO -0.03 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 3k1y h ALA 169 N 0.81 0.87 -0.26 0.00 0.00 -0.52 -2.03 119.26 118.13 3k1y h ALA 169 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3k1y h ALA 169 Cb 0.93 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3k1y h ALA 169 CO 0.09 0.66 0.14 0.78 0.00 0.00 0.00 179.25 180.92 3k1y h GLY 170 N 0.99 0.39 0.75 0.00 0.00 -0.74 0.23 103.07 104.69 3k1y h GLY 170 Ca 0.17 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.36 3k1y h GLY 170 CO 0.03 0.17 0.28 0.83 0.00 0.00 0.00 176.54 177.85 3k1y h GLU 171 N 0.30 0.52 -0.05 4.80 5.08 -1.28 0.14 114.58 124.09 3k1y h GLU 171 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3k1y h GLU 171 Cb 0.08 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3k1y h GLU 171 CO -0.01 0.34 -0.03 1.25 -1.00 0.00 0.00 179.01 179.56 3k1y h LEU 172 N 0.54 0.11 -0.98 1.33 5.85 -1.15 -2.76 115.31 118.24 3k1y h LEU 172 Ca 0.23 -0.44 0.17 0.00 0.84 0.00 0.00 57.88 58.68 3k1y h LEU 172 Cb 0.11 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 3k1y h LEU 172 CO -0.15 0.52 0.59 0.00 -0.34 0.00 0.00 178.44 179.06 3k1y h ALA 173 N 0.59 1.57 0.01 1.25 0.00 -0.26 0.21 119.26 122.63 3k1y h ALA 173 Ca 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k1y h ALA 173 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k1y h ALA 173 CO 0.01 0.01 -0.01 0.77 0.00 0.00 0.00 179.25 180.03 3k1y h SER 174 N 0.79 -0.01 -0.50 0.00 0.02 -0.90 -1.43 113.55 111.52 3k1y h SER 174 Ca 0.54 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.41 3k1y h SER 174 Cb 0.76 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 3k1y h SER 174 CO -0.35 0.10 0.28 -0.07 -1.14 0.00 0.00 176.83 175.65 3k1y h LEU 175 N -0.13 0.43 -0.77 5.07 4.07 -0.87 -2.74 115.31 120.38 3k1y h LEU 175 Ca -0.00 0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.00 3k1y h LEU 175 Cb 0.12 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.74 3k1y h LEU 175 CO 0.00 0.30 0.50 0.40 -1.08 0.00 0.00 178.44 178.56 3k1y h ILE 176 N 0.55 1.13 0.00 1.22 2.04 -0.42 -3.15 117.51 118.89 3k1y h ILE 176 Ca 0.21 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3k1y h ILE 176 Cb 0.07 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3k1y h ILE 176 CO -0.12 0.18 -0.43 1.33 0.00 0.00 0.00 178.15 179.12 3k1y n VAL 177 N -4.60 0.12 1.46 1.67 0.24 -0.56 -3.70 118.33 112.96 3k1y n VAL 177 Ca 0.09 -0.08 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 3k1y n VAL 177 Cb 0.07 -0.02 0.49 0.00 -1.47 0.00 0.00 33.84 32.92 3k1y n VAL 177 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3k1y n GLU 178 N -1.69 1.67 -2.73 7.34 0.28 -1.04 -4.89 120.64 119.57 3k1y n GLU 178 Ca 0.05 -1.00 -0.38 0.00 -0.16 0.00 0.00 57.16 55.67 3k1y n GLU 178 Cb 0.37 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.70 3k1y n GLU 178 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3k1y s GLU 179 N -2.02 4.62 0.00 3.44 2.02 -1.24 -5.11 118.70 120.41 3k1y s GLU 179 Ca 0.37 1.42 0.26 0.00 0.02 0.00 0.00 54.97 57.04 3k1y s GLU 179 Cb 0.21 -2.93 0.69 0.00 0.10 0.00 0.00 34.13 32.20 3k1y s GLU 179 CO 0.34 0.30 1.54 0.45 0.02 0.00 0.00 175.26 177.92