#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1y n HIS 0 N 0.00 0.00 -4.09 0.66 -0.00 -1.26 -4.85 115.22 105.68 3k1y n HIS 0 Ca 0.00 -0.11 -0.27 0.00 -0.00 0.00 0.00 57.72 57.35 3k1y n HIS 0 Cb 0.00 -0.17 -0.06 0.00 -0.00 0.00 0.00 29.99 29.76 3k1y n HIS 0 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 3k1y s ARG 2 N 1.04 2.86 0.11 -1.40 1.81 0.08 -5.09 118.95 118.37 3k1y s ARG 2 Ca 0.00 -0.87 0.07 0.00 -1.72 0.00 0.00 55.73 53.21 3k1y s ARG 2 Cb 0.00 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 3k1y s ARG 2 CO 0.00 0.49 -0.10 0.95 -0.68 0.00 0.00 175.30 175.96 3k1y s THR 3 N -1.72 3.34 -0.03 0.02 -4.23 -1.26 0.01 115.64 111.77 3k1y s THR 3 Ca 0.31 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 3k1y s THR 3 Cb -0.10 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3k1y s THR 3 CO 0.23 0.09 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.16 3k1y s LEU 4 N -2.27 1.30 -0.08 4.79 2.96 0.15 -2.78 118.68 122.76 3k1y s LEU 4 Ca 0.22 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3k1y s LEU 4 Cb -0.11 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 3k1y s LEU 4 CO 0.14 -0.07 -0.00 0.00 -1.32 0.00 0.00 176.35 175.09 3k1y s ALA 5 N 0.88 3.27 -0.12 5.97 0.00 -0.80 0.11 121.76 131.07 3k1y s ALA 5 Ca -0.10 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3k1y s ALA 5 Cb -0.13 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.57 3k1y s ALA 5 CO -0.01 0.59 -0.02 0.08 0.00 0.00 0.00 175.76 176.40 3k1y s VAL 6 N -0.90 0.69 -0.20 0.00 1.01 0.79 0.06 120.40 121.86 3k1y s VAL 6 Ca 0.14 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 3k1y s VAL 6 Cb -0.11 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 3k1y s VAL 6 CO 0.03 0.18 0.15 -0.63 0.00 0.00 0.00 175.10 174.83 3k1y s ILE 7 N 1.83 5.40 -0.10 2.22 -1.09 0.28 -0.05 121.20 129.69 3k1y s ILE 7 Ca 0.03 0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.67 3k1y s ILE 7 Cb -0.14 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.28 3k1y s ILE 7 CO -0.07 0.43 -0.05 -0.55 -1.23 0.00 0.00 174.94 173.47 3k1y s SER 8 N 0.40 1.95 -0.26 3.58 0.15 -0.84 -0.31 113.70 118.37 3k1y s SER 8 Ca 0.09 -0.22 0.13 0.00 0.70 0.00 0.00 55.95 56.65 3k1y s SER 8 Cb -0.11 -0.69 0.79 0.00 -1.71 0.00 0.00 66.02 64.29 3k1y s SER 8 CO -0.01 -0.14 1.75 0.00 1.20 0.00 0.00 173.24 176.03 3k1y n ALA 9 N 5.00 4.02 -1.77 5.45 0.00 -0.69 -1.82 120.51 130.71 3k1y n ALA 9 Ca -0.11 -2.07 -0.35 0.00 0.00 0.00 0.00 53.44 50.92 3k1y n ALA 9 Cb 0.50 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.93 2.56 0.00 0.00 0.00 -1.26 -4.61 107.32 103.08 3k1y s GLY 10 Ca 0.54 0.73 0.03 0.00 0.00 0.00 0.00 44.72 46.02 3k1y s GLY 10 CO 0.15 1.07 0.52 1.04 0.00 0.00 0.00 173.10 175.88 3k1y n LEU 11 N -1.27 1.07 -4.92 0.66 4.32 -1.26 -4.49 117.00 111.10 3k1y n LEU 11 Ca 0.11 -0.91 -0.28 0.00 -0.02 0.00 0.00 56.01 54.90 3k1y n LEU 11 Cb 0.52 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 3k1y n LEU 11 CO 0.42 0.24 -0.13 -0.44 -1.22 0.00 0.00 177.39 176.25 3k1y s SER 12 N -0.43 6.25 -0.21 -1.43 0.01 -1.26 -5.04 113.70 111.59 3k1y s SER 12 Ca 0.03 0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.48 3k1y s SER 12 Cb 0.03 -1.88 0.05 0.00 0.21 0.00 0.00 66.02 64.43 3k1y s SER 12 CO 0.05 0.10 -0.10 0.42 0.41 0.00 0.00 173.24 174.13 3k1y s THR 13 N -1.64 1.66 0.83 1.44 -4.23 -1.26 -0.84 115.64 111.60 3k1y s THR 13 Ca 0.34 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 3k1y s THR 13 Cb -0.12 -1.76 0.09 0.00 1.34 0.00 0.00 72.50 72.05 3k1y s THR 13 CO 0.28 0.12 1.09 -2.16 -0.54 0.00 0.00 174.62 173.41 3k1y s PRO 14 N 1.38 1.79 -0.24 3.99 0.04 -1.26 -5.14 135.00 135.57 3k1y s PRO 14 Ca -0.02 1.07 -0.08 0.00 0.04 0.00 0.00 61.00 62.01 3k1y s PRO 14 Cb -0.17 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3k1y s PRO 14 CO -0.08 -1.94 0.08 0.45 0.04 0.00 0.00 177.00 175.55 3k1y s SER 15 N -3.34 5.35 0.43 6.66 0.15 -0.02 -4.97 113.70 117.96 3k1y s SER 15 Ca 0.62 -0.11 0.18 0.00 0.70 0.00 0.00 55.95 57.34 3k1y s SER 15 Cb -0.18 -1.95 0.97 0.00 -1.71 0.00 0.00 66.02 63.15 3k1y s SER 15 CO 0.57 0.02 1.91 0.28 1.20 0.00 0.00 173.24 177.22 3k1y h SER 16 N 7.86 0.00 -0.13 5.45 0.02 -1.99 -1.89 113.55 122.87 3k1y h SER 16 Ca -0.37 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.39 3k1y h SER 16 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3k1y h SER 16 CO 0.60 0.27 -0.61 0.74 -1.14 0.00 0.00 176.83 176.69 3k1y h THR 17 N 0.00 1.29 0.00 -2.27 2.02 -1.94 -2.80 112.91 109.22 3k1y h THR 17 Ca -0.00 -1.83 -0.08 0.00 0.77 0.00 0.00 66.41 65.26 3k1y h THR 17 Cb 0.54 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 3k1y h THR 17 CO 0.03 0.58 -0.39 -0.09 0.37 0.00 0.00 175.52 176.03 3k1y h ARG 18 N 0.55 0.00 -0.21 6.66 9.65 -1.84 -2.18 114.38 127.01 3k1y h ARG 18 Ca -0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 3k1y h ARG 18 Cb 1.21 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3k1y h ARG 18 CO 0.13 0.39 -0.22 1.96 2.80 0.00 0.00 179.97 185.03 3k1y h GLN 19 N 0.00 0.51 -0.01 0.20 4.20 -1.20 -0.66 115.11 118.16 3k1y h GLN 19 Ca -0.00 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.29 3k1y h GLN 19 Cb 0.82 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 3k1y h GLN 19 CO 0.05 0.86 -0.67 0.97 -0.67 0.00 0.00 178.83 179.37 3k1y h ILE 20 N 0.18 1.47 -0.51 2.54 2.10 -1.47 -1.77 117.51 120.05 3k1y h ILE 20 Ca 0.03 -2.27 -0.02 0.00 1.08 0.00 0.00 64.86 63.68 3k1y h ILE 20 Cb 0.77 2.22 -0.02 0.00 -1.09 0.00 0.00 36.82 38.69 3k1y h ILE 20 CO 0.05 0.65 0.24 0.00 -1.08 0.00 0.00 178.15 178.02 3k1y h ALA 21 N 1.30 0.65 -0.62 0.18 0.00 -1.31 0.57 119.26 120.04 3k1y h ALA 21 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3k1y h ALA 21 Cb 1.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3k1y h ALA 21 CO 0.09 0.22 0.02 -0.44 0.00 0.00 0.00 179.25 179.13 3k1y h ASP 22 N 0.67 1.06 -0.73 0.00 3.32 -0.90 -0.89 116.42 118.95 3k1y h ASP 22 Ca 0.17 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3k1y h ASP 22 Cb 0.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3k1y h ASP 22 CO -0.02 1.10 0.41 0.28 -1.72 0.00 0.00 179.24 179.29 3k1y h SER 23 N 0.99 0.90 0.01 6.45 0.02 -0.92 -0.30 113.55 120.70 3k1y h SER 23 Ca 0.18 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3k1y h SER 23 Cb 0.55 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3k1y h SER 23 CO 0.03 0.73 -0.00 0.40 -1.14 0.00 0.00 176.83 176.84 3k1y h ILE 24 N 1.00 1.16 0.00 3.27 2.04 -0.52 -1.89 117.51 122.57 3k1y h ILE 24 Ca 0.26 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3k1y h ILE 24 Cb 0.02 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3k1y h ILE 24 CO -0.04 0.13 -0.25 0.77 0.00 0.00 0.00 178.15 178.76 3k1y h SER 25 N -0.22 0.00 -0.20 1.72 4.64 -0.99 -0.26 113.55 118.24 3k1y h SER 25 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3k1y h SER 25 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3k1y h SER 25 CO 0.00 0.25 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.69 3k1y h GLU 26 N 0.00 0.49 -0.48 4.77 5.08 -0.91 0.28 114.58 123.80 3k1y h GLU 26 Ca -0.00 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 3k1y h GLU 26 Cb 0.58 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3k1y h GLU 26 CO 0.03 0.83 -0.02 0.00 -1.00 0.00 0.00 179.01 178.85 3k1y h ALA 27 N 0.65 1.06 -0.52 3.43 0.00 -0.99 -0.92 119.26 121.98 3k1y h ALA 27 Ca 0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3k1y h ALA 27 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3k1y h ALA 27 CO 0.05 0.58 0.15 0.28 0.00 0.00 0.00 179.25 180.31 3k1y h VAL 28 N 0.75 1.24 -0.74 0.00 2.07 -0.90 0.97 116.25 119.64 3k1y h VAL 28 Ca 0.14 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3k1y h VAL 28 Cb 0.49 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3k1y h VAL 28 CO 0.02 0.30 0.46 0.74 0.02 0.00 0.00 177.57 179.11 3k1y h THR 29 N 0.71 1.07 -0.31 2.57 2.02 -0.35 0.10 112.91 118.71 3k1y h THR 29 Ca 0.17 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 3k1y h THR 29 Cb 0.30 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3k1y h THR 29 CO -0.00 0.16 -0.00 0.00 0.37 0.00 0.00 175.52 176.04 3k1y h ALA 30 N 1.33 0.42 -0.89 6.16 0.00 -0.76 -1.61 119.26 123.91 3k1y h ALA 30 Ca 0.31 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3k1y h ALA 30 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3k1y h ALA 30 CO -0.13 0.18 0.59 0.00 0.00 0.00 0.00 179.25 179.88 3k1y h ALA 31 N 0.84 1.43 -0.01 0.00 0.00 -0.10 0.21 119.26 121.62 3k1y h ALA 31 Ca 0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3k1y h ALA 31 Cb 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3k1y h ALA 31 CO 0.02 0.49 -0.71 0.28 0.00 0.00 0.00 179.25 179.33 3k1y h VAL 32 N 1.13 1.49 -0.47 0.00 2.07 -0.91 -2.67 116.25 116.88 3k1y h VAL 32 Ca 0.35 -2.37 -0.09 0.00 0.82 0.00 0.00 66.70 65.41 3k1y h VAL 32 Cb 0.00 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3k1y h VAL 32 CO -0.10 0.68 -0.06 -1.28 0.02 0.00 0.00 177.57 176.83 3k1y h SER 33 N 0.04 0.87 0.31 0.57 0.87 -0.19 -1.00 113.55 115.01 3k1y h SER 33 Ca -0.01 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 3k1y h SER 33 Cb 1.26 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 3k1y h SER 33 CO 0.10 1.00 -0.12 0.00 -0.53 0.00 0.00 176.83 177.28 3k1y h ALA 34 N 0.90 1.36 -0.38 6.23 0.00 -0.48 -0.91 119.26 125.98 3k1y h ALA 34 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k1y h ALA 34 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3k1y h ALA 34 CO 0.04 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.97 3k1y n ARG 35 N -3.75 2.21 -0.57 0.00 1.74 -0.93 -4.91 116.66 110.45 3k1y n ARG 35 Ca -0.02 -1.49 0.00 0.00 -0.77 0.00 0.00 57.85 55.57 3k1y n ARG 35 Cb 0.22 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.94 0.75 3.69 -0.13 0.00 -0.35 -5.07 105.19 105.03 3k1y n GLY 36 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.43 2.08 0.09 1.61 2.02 -0.42 -5.01 118.70 118.65 3k1y s GLU 37 Ca 0.00 -2.29 0.06 0.00 0.02 0.00 0.00 54.97 52.77 3k1y s GLU 37 Cb 0.00 -1.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.77 3k1y s GLU 37 CO 0.00 -0.29 -0.08 0.00 0.02 0.00 0.00 175.26 174.91 3k1y s ALA 38 N -2.90 3.02 -0.03 5.21 0.00 -1.26 -3.24 121.76 122.57 3k1y s ALA 38 Ca 0.16 -1.20 0.07 0.00 0.00 0.00 0.00 51.96 50.99 3k1y s ALA 38 Cb 0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3k1y s ALA 38 CO 0.08 0.65 -0.24 -1.17 0.00 0.00 0.00 175.76 175.08 3k1y s LEU 39 N -2.17 2.05 -0.13 0.00 0.20 -1.26 -0.74 118.68 116.63 3k1y s LEU 39 Ca 0.22 -0.46 -0.01 0.00 0.69 0.00 0.00 54.13 54.57 3k1y s LEU 39 Cb -0.11 -1.28 -0.02 0.00 -0.43 0.00 0.00 46.19 44.35 3k1y s LEU 39 CO 0.14 0.28 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.84 3k1y s SER 40 N -0.43 4.36 -0.06 3.68 0.15 0.10 -4.95 113.70 116.55 3k1y s SER 40 Ca 0.05 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.53 3k1y s SER 40 Cb -0.11 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.57 3k1y s SER 40 CO 0.00 0.19 -0.21 0.54 1.20 0.00 0.00 173.24 174.97 3k1y s VAL 41 N 0.23 2.44 -0.30 4.45 0.11 -1.26 0.33 120.40 126.39 3k1y s VAL 41 Ca -0.06 -0.93 0.03 0.00 -2.93 0.00 0.00 61.98 58.10 3k1y s VAL 41 Cb -0.15 -1.92 0.08 0.00 -1.53 0.00 0.00 36.38 32.86 3k1y s VAL 41 CO 0.04 0.57 -0.02 -0.55 -3.33 0.00 0.00 175.10 171.81 3k1y s SER 42 N -0.27 4.58 -0.27 3.54 0.15 0.12 -4.95 113.70 116.60 3k1y s SER 42 Ca 0.00 -1.80 -0.14 0.00 0.70 0.00 0.00 55.95 54.71 3k1y s SER 42 Cb -0.13 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 3k1y s SER 42 CO 0.03 -0.30 0.34 -0.89 1.20 0.00 0.00 173.24 173.62 3k1y s THR 43 N 1.02 5.20 -0.33 6.45 2.01 -1.26 -0.15 115.64 128.59 3k1y s THR 43 Ca 0.02 0.50 -0.07 0.00 0.31 0.00 0.00 61.69 62.45 3k1y s THR 43 Cb -0.19 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.68 3k1y s THR 43 CO -0.07 0.17 0.10 -0.63 -0.69 0.00 0.00 174.62 173.50 3k1y s ILE 44 N 2.01 3.89 -0.43 1.82 -1.09 0.93 -4.96 121.20 123.37 3k1y s ILE 44 Ca 0.14 -0.97 -0.24 0.00 -2.23 0.00 0.00 60.65 57.34 3k1y s ILE 44 Cb -0.16 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.61 3k1y s ILE 44 CO 0.10 -0.10 0.84 -1.61 -1.23 0.00 0.00 174.94 172.94 3k1y s GLU 45 N 1.44 3.56 0.48 2.79 0.41 -1.26 -1.98 118.70 124.14 3k1y s GLU 45 Ca -0.00 0.13 0.16 0.00 -0.41 0.00 0.00 54.97 54.85 3k1y s GLU 45 Cb -0.19 -3.89 1.16 0.00 -1.78 0.00 0.00 34.13 29.43 3k1y s GLU 45 CO 0.03 -1.07 2.04 -0.07 -0.49 0.00 0.00 175.26 175.69 3k1y h LEU 46 N 10.17 0.20 -0.10 1.80 3.38 -1.69 -0.24 115.31 128.83 3k1y h LEU 46 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3k1y h LEU 46 Cb 1.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3k1y h LEU 46 CO 0.97 0.13 0.00 -1.54 0.09 0.00 0.00 178.44 178.09 3k1y n SER 47 N -4.47 0.08 -1.02 -0.43 3.41 -1.26 -1.12 113.62 108.82 3k1y n SER 47 Ca 0.06 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 3k1y n SER 47 Cb 0.32 -0.54 0.18 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.59 2.31 -0.00 4.33 1.02 -0.10 -4.17 120.64 122.44 3k1y n GLU 48 Ca 0.03 -2.12 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 3k1y n GLU 48 Cb 0.15 -1.45 0.00 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 1.30 1.90 -0.12 -4.62 4.77 -0.28 -4.83 117.00 115.13 3k1y n LEU 49 Ca 0.17 -1.93 -0.06 0.00 -0.03 0.00 0.00 56.01 54.16 3k1y n LEU 49 Cb 0.56 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3k1y n LEU 49 CO 0.14 0.48 0.70 0.40 -1.33 0.00 0.00 177.39 177.78 3k1y h ILE 50 N 0.17 0.37 -0.62 -0.08 2.04 -1.69 0.44 117.51 118.15 3k1y h ILE 50 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3k1y h ILE 50 Cb 0.55 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3k1y h ILE 50 CO 0.00 0.00 0.13 1.55 0.00 0.00 0.00 178.15 179.83 3k1y h PRO 51 N -0.15 0.98 -0.12 2.37 0.13 -1.92 -2.79 132.00 130.49 3k1y h PRO 51 Ca 0.19 -0.23 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 3k1y h PRO 51 Cb 0.46 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 3k1y h PRO 51 CO -0.50 0.89 -0.54 -0.44 -0.23 0.00 0.00 178.00 177.18 3k1y h ASP 52 N 0.93 0.37 0.00 1.44 5.19 -1.73 -2.56 116.42 120.06 3k1y h ASP 52 Ca 0.20 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3k1y h ASP 52 Cb 0.36 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.76 3k1y h ASP 52 CO 0.00 0.84 0.00 -0.11 -3.12 0.00 0.00 179.24 176.85 3k1y n LEU 53 N -3.94 1.06 0.00 1.55 7.94 0.15 -2.56 117.00 121.21 3k1y n LEU 53 Ca -0.02 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.35 3k1y n LEU 53 Cb 0.58 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.25 3k1y n LEU 53 CO 0.45 0.20 0.00 0.41 -1.11 0.00 0.00 177.39 177.34 3k1y n THR 55 N 0.45 0.00 -0.13 1.96 -1.04 -0.97 -4.82 114.28 109.74 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 0.20 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 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 3.39 0.00 2.41 0.00 -1.06 -2.09 120.51 123.17 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 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.33 0.00 -3.56 0.00 -2.24 -1.26 -4.43 114.28 104.11 3k1y n THR 58 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3k1y n THR 58 Cb 0.44 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.00 -2.68 4.28 2.01 -0.89 -5.07 115.64 113.30 3k1y s THR 59 Ca 0.00 -0.14 0.26 0.00 0.31 0.00 0.00 61.69 62.11 3k1y s THR 59 Cb 0.00 -1.23 0.39 0.00 0.01 0.00 0.00 72.50 71.67 3k1y s THR 59 CO 0.00 0.00 1.52 -2.11 -0.69 0.00 0.00 174.62 173.34 3k1y n ARG 60 N -0.29 1.98 -4.07 4.92 1.85 -1.26 -4.93 116.66 114.85 3k1y n ARG 60 Ca -0.08 -1.43 -0.30 0.00 -1.00 0.00 0.00 57.85 55.03 3k1y n ARG 60 Cb 0.61 -1.47 -0.07 0.00 -1.05 0.00 0.00 32.46 30.49 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 -1.95 4.40 0.13 8.89 1.01 -1.26 -5.03 120.40 126.59 3k1y s VAL 61 Ca 0.34 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.50 3k1y s VAL 61 Cb 0.20 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3k1y s VAL 61 CO 0.31 0.12 0.28 -1.00 0.00 0.00 0.00 175.10 174.82 3k1y s HIS 62 N -1.37 3.50 0.78 5.22 3.76 -1.26 -4.21 115.29 121.70 3k1y s HIS 62 Ca 0.28 0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.30 3k1y s HIS 62 Cb -0.12 -1.74 0.06 0.00 1.11 0.00 0.00 32.58 31.88 3k1y s HIS 62 CO 0.21 0.51 1.09 0.95 -0.85 0.00 0.00 174.74 176.66 3k1y s THR 63 N -1.68 3.17 0.26 1.30 -4.23 -1.26 -4.76 115.64 108.43 3k1y s THR 63 Ca 0.36 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 3k1y s THR 63 Cb -0.12 -3.16 0.24 0.00 1.34 0.00 0.00 72.50 70.80 3k1y s THR 63 CO 0.28 -0.50 1.80 0.74 -0.54 0.00 0.00 174.62 176.41 3k1y h THR 64 N -1.01 0.86 -0.18 3.99 2.02 -1.99 0.25 112.91 116.85 3k1y h THR 64 Ca -0.47 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.46 3k1y h THR 64 Cb 1.26 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3k1y h THR 64 CO 0.60 0.14 0.05 0.50 0.37 0.00 0.00 175.52 177.18 3k1y h LYS 65 N 0.79 0.13 -0.46 6.66 3.64 -2.00 -1.18 116.57 124.15 3k1y h LYS 65 Ca 0.44 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.70 3k1y h LYS 65 Cb 0.47 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3k1y h LYS 65 CO -0.28 0.08 -0.14 1.25 -2.27 0.00 0.00 179.45 178.10 3k1y h LEU 66 N 0.13 0.86 -1.07 5.20 5.85 -1.70 -1.53 115.31 123.05 3k1y h LEU 66 Ca 0.08 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3k1y h LEU 66 Cb 0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3k1y h LEU 66 CO -0.09 1.00 0.27 -0.08 -0.34 0.00 0.00 178.44 179.20 3k1y h GLU 67 N 0.76 0.93 -0.41 1.25 4.57 -0.75 0.77 114.58 121.72 3k1y h GLU 67 Ca 0.12 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.02 3k1y h GLU 67 Cb 0.65 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3k1y h GLU 67 CO 0.05 0.75 -0.29 0.93 -1.18 0.00 0.00 179.01 179.27 3k1y h GLU 68 N 0.92 0.88 0.13 1.92 5.08 -0.84 -2.30 114.58 120.37 3k1y h GLU 68 Ca 0.22 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3k1y h GLU 68 Cb 0.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3k1y h GLU 68 CO -0.02 1.05 -0.06 0.82 -1.00 0.00 0.00 179.01 179.80 3k1y h ILE 69 N 0.75 1.05 -0.79 3.13 2.04 -0.64 -2.64 117.51 120.40 3k1y h ILE 69 Ca 0.08 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3k1y h ILE 69 Cb 0.85 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 3k1y h ILE 69 CO 0.07 0.19 0.37 0.71 0.00 0.00 0.00 178.15 179.50 3k1y h THR 70 N -0.57 1.25 -0.53 -0.27 1.35 -0.92 -0.77 112.91 112.45 3k1y h THR 70 Ca -0.02 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 65.08 3k1y h THR 70 Cb 0.45 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.09 3k1y h THR 70 CO 0.03 0.30 0.14 0.28 -0.25 0.00 0.00 175.52 176.02 3k1y h SER 71 N 1.13 0.80 -0.43 5.36 0.02 -1.47 -1.97 113.55 116.99 3k1y h SER 71 Ca 0.27 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 3k1y h SER 71 Cb 0.13 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3k1y h SER 71 CO -0.03 0.82 -0.25 0.00 -1.14 0.00 0.00 176.83 176.22 3k1y h ALA 72 N 1.01 0.61 0.04 3.77 0.00 -1.31 -2.17 119.26 121.21 3k1y h ALA 72 Ca 0.17 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3k1y h ALA 72 Cb 0.33 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3k1y h ALA 72 CO 0.00 0.62 -0.37 1.25 0.00 0.00 0.00 179.25 180.75 3k1y h LEU 73 N 0.76 -1.09 -1.64 0.00 5.85 -0.90 0.18 115.31 118.47 3k1y h LEU 73 Ca 0.09 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3k1y h LEU 73 Cb 0.83 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3k1y h LEU 73 CO 0.07 -0.43 0.21 0.28 -0.34 0.00 0.00 178.44 178.24 3k1y h SER 74 N -0.55 0.39 0.87 1.25 0.02 -1.32 -1.13 113.55 113.09 3k1y h SER 74 Ca 0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3k1y h SER 74 Cb 0.61 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3k1y h SER 74 CO -0.27 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 3k1y n ALA 75 N -2.49 2.36 -1.39 3.77 0.00 -0.47 -4.89 120.51 117.41 3k1y n ALA 75 Ca 0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 3k1y n ALA 75 Cb 0.07 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.88 4.80 -0.04 0.00 0.01 0.52 -4.97 113.70 111.14 3k1y s SER 76 Ca 0.18 1.95 0.15 0.00 1.31 0.00 0.00 55.95 59.54 3k1y s SER 76 Cb 0.19 -2.54 -0.21 0.00 0.21 0.00 0.00 66.02 63.67 3k1y s SER 76 CO 0.51 -1.84 0.61 0.47 0.41 0.00 0.00 173.24 173.40 3k1y n ASP 77 N -2.88 0.70 -4.19 2.44 8.00 -1.14 -4.97 116.55 114.51 3k1y n ASP 77 Ca 0.10 0.33 -0.11 0.00 0.71 0.00 0.00 54.79 55.81 3k1y n ASP 77 Cb 0.52 0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.76 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 -5.06 1.23 -0.08 0.44 0.00 -1.12 -4.11 107.32 98.63 3k1y s GLY 78 Ca -0.05 -1.59 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 3k1y s GLY 78 CO 0.82 -1.41 0.43 -2.27 0.00 0.00 0.00 173.10 170.68 3k1y s LEU 79 N -3.12 0.35 -0.04 0.66 2.96 -0.92 -1.90 118.68 116.67 3k1y s LEU 79 Ca 0.30 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 3k1y s LEU 79 Cb 0.07 1.62 0.01 0.00 0.50 0.00 0.00 46.19 48.40 3k1y s LEU 79 CO 0.06 -0.38 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.95 3k1y s VAL 80 N -0.75 0.71 -0.07 1.68 1.01 0.11 -2.15 120.40 120.94 3k1y s VAL 80 Ca -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3k1y s VAL 80 Cb -0.03 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3k1y s VAL 80 CO 0.04 0.25 -0.15 0.68 0.00 0.00 0.00 175.10 175.92 3k1y s VAL 81 N 0.56 1.35 -0.02 2.92 -7.23 -1.07 0.10 120.40 117.01 3k1y s VAL 81 Ca -0.09 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 3k1y s VAL 81 Cb -0.12 -1.21 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 3k1y s VAL 81 CO 0.01 0.40 -0.12 0.00 -0.31 0.00 0.00 175.10 175.08 3k1y s ALA 82 N 0.61 1.09 -0.02 1.32 0.00 0.57 -0.73 121.76 124.59 3k1y s ALA 82 Ca -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 3k1y s ALA 82 Cb -0.16 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.62 3k1y s ALA 82 CO 0.05 0.21 0.07 -0.08 0.00 0.00 0.00 175.76 176.01 3k1y s THR 83 N -0.01 0.01 1.00 0.00 -1.32 -0.68 -1.70 115.64 112.94 3k1y s THR 83 Ca -0.01 -0.07 -0.15 0.00 -1.21 0.00 0.00 61.69 60.26 3k1y s THR 83 Cb -0.08 -0.13 0.19 0.00 -1.51 0.00 0.00 72.50 70.97 3k1y s THR 83 CO 0.01 -0.04 1.17 -2.16 -2.21 0.00 0.00 174.62 171.39 3k1y s PRO 84 N -0.09 0.41 -0.26 7.08 0.04 -1.26 -2.30 135.00 138.62 3k1y s PRO 84 Ca -0.01 0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.04 3k1y s PRO 84 Cb -0.01 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.76 3k1y s PRO 84 CO 0.00 -2.64 -0.01 0.08 0.04 0.00 0.00 177.00 174.47 3k1y s VAL 85 N -3.34 3.36 -0.08 -0.36 1.01 -1.16 -4.05 120.40 115.79 3k1y s VAL 85 Ca 0.68 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3k1y s VAL 85 Cb -0.11 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3k1y s VAL 85 CO 0.54 0.20 -0.18 -0.36 0.00 0.00 0.00 175.10 175.30 3k1y s PHE 86 N 1.42 2.64 -1.68 5.22 0.40 -0.56 -4.66 117.98 120.76 3k1y s PHE 86 Ca 0.02 -0.57 -0.16 0.00 -0.60 0.00 0.00 56.93 55.63 3k1y s PHE 86 Cb -0.16 -1.69 0.14 0.00 0.51 0.00 0.00 43.02 41.81 3k1y s PHE 86 CO -0.02 -0.12 0.68 1.63 0.70 0.00 0.00 175.22 178.10 3k1y n LYS 87 N 3.00 -2.80 -2.01 0.44 4.76 -1.26 -1.84 118.16 118.45 3k1y n LYS 87 Ca -0.18 0.34 -0.12 0.00 -2.87 0.00 0.00 58.31 55.48 3k1y n LYS 87 Cb 0.52 -4.91 -0.02 0.00 -1.84 0.00 0.00 35.03 28.79 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 -4.36 -0.31 -3.16 7.82 0.00 -1.26 -4.98 120.51 114.25 3k1y n ALA 88 Ca 0.01 0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.58 3k1y n ALA 88 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.22 -0.38 -4.75 0.00 2.88 -0.77 -4.91 113.62 105.47 3k1y n SER 89 Ca -0.14 -1.23 -0.32 0.00 -1.33 0.00 0.00 58.87 55.85 3k1y n SER 89 Cb 0.56 0.62 0.09 0.00 -0.75 0.00 0.00 64.21 64.73 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 -6.36 2.41 0.54 0.66 -0.85 -1.26 -1.49 117.35 110.99 3k1y s TYR 90 Ca 0.04 1.59 -0.20 0.00 -0.52 0.00 0.00 57.07 57.98 3k1y s TYR 90 Cb -0.01 -3.16 -0.06 0.00 0.38 0.00 0.00 41.96 39.12 3k1y s TYR 90 CO 0.02 -1.98 1.13 0.99 -1.52 0.00 0.00 175.55 174.19 3k1y s THR 91 N -2.64 3.15 0.27 -3.49 2.01 -1.26 -4.64 115.64 109.05 3k1y s THR 91 Ca 0.65 0.72 -0.04 0.00 0.31 0.00 0.00 61.69 63.33 3k1y s THR 91 Cb -0.20 -3.29 0.23 0.00 0.01 0.00 0.00 72.50 69.25 3k1y s THR 91 CO 0.51 -0.15 1.90 1.23 -0.69 0.00 0.00 174.62 177.43 3k1y h GLY 92 N 1.22 1.21 1.08 4.40 0.00 -1.93 0.65 103.07 109.70 3k1y h GLY 92 Ca -0.50 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.25 3k1y h GLY 92 CO 0.57 0.50 0.23 -2.00 0.00 0.00 0.00 176.54 175.84 3k1y h LEU 93 N 1.15 1.08 -0.21 3.11 5.85 -1.96 -2.10 115.31 122.23 3k1y h LEU 93 Ca 0.29 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3k1y h LEU 93 Cb -0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3k1y h LEU 93 CO -0.05 1.00 0.11 0.15 -0.34 0.00 0.00 178.44 179.31 3k1y h PHE 94 N 1.11 0.29 0.00 1.25 3.57 -1.71 -2.69 116.94 118.75 3k1y h PHE 94 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3k1y h PHE 94 Cb 0.31 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3k1y h PHE 94 CO 0.03 0.27 0.00 1.17 -2.23 0.00 0.00 178.31 177.55 3k1y n LYS 95 N -4.88 0.09 0.00 1.11 3.00 0.15 -3.23 118.16 114.41 3k1y n LYS 95 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 3k1y n LYS 95 Cb 0.08 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.66 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 1.13 0.00 -0.26 5.64 7.35 -1.02 -1.07 117.46 129.23 3k1y n PHE 97 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 3k1y n PHE 97 Cb 0.05 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.01 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 0.78 -0.89 -5.13 0.04 -1.85 -0.58 116.94 109.30 3k1y h PHE 98 Ca 0.00 0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.96 3k1y h PHE 98 Cb 0.00 -0.24 -0.07 0.00 2.20 0.00 0.00 35.95 37.84 3k1y h PHE 98 CO 0.00 0.35 0.58 -0.44 -0.60 0.00 0.00 178.31 178.19 3k1y h ASP 99 N 0.75 0.60 1.02 2.17 3.32 -1.41 -1.38 116.42 121.50 3k1y h ASP 99 Ca 0.35 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3k1y h ASP 99 Cb 0.26 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3k1y h ASP 99 CO -0.21 0.29 -0.06 -0.29 -1.72 0.00 0.00 179.24 177.24 3k1y h ILE 100 N 0.63 0.16 -4.27 0.35 6.09 -1.37 -3.46 117.51 115.64 3k1y h ILE 100 Ca 0.46 -0.70 -0.51 0.00 -1.37 0.00 0.00 64.86 62.74 3k1y h ILE 100 Cb 0.82 1.60 0.11 0.00 0.47 0.00 0.00 36.82 39.82 3k1y h ILE 100 CO -0.21 0.06 0.35 -0.76 -3.07 0.00 0.00 178.15 174.53 3k1y s LEU 101 N -6.37 3.22 0.87 2.19 1.43 -0.52 -5.02 118.68 114.48 3k1y s LEU 101 Ca 0.01 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 3k1y s LEU 101 Cb 0.09 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.90 3k1y s LEU 101 CO 0.57 -1.70 1.11 -1.81 0.23 0.00 0.00 176.35 174.75 3k1y s ASP 102 N -3.11 3.56 0.23 2.29 1.01 -1.26 -4.91 116.67 114.48 3k1y s ASP 102 Ca 0.63 1.88 -0.07 0.00 0.71 0.00 0.00 52.55 55.70 3k1y s ASP 102 Cb -0.18 -2.47 0.35 0.00 1.01 0.00 0.00 42.92 41.63 3k1y s ASP 102 CO 0.49 -2.64 1.76 0.74 0.21 0.00 0.00 175.17 175.72 3k1y h THR 103 N -1.55 0.78 -0.70 -1.27 2.02 -1.96 -2.65 112.91 107.57 3k1y h THR 103 Ca -0.45 -0.17 -0.29 0.00 0.77 0.00 0.00 66.41 66.27 3k1y h THR 103 Cb 1.26 0.23 -0.17 0.00 -1.74 0.00 0.00 68.15 67.73 3k1y h THR 103 CO 0.48 0.09 0.29 -0.90 0.37 0.00 0.00 175.52 175.86 3k1y n ASP 104 N -4.94 3.90 -0.23 4.18 5.68 -1.26 -4.67 116.55 119.20 3k1y n ASP 104 Ca 0.11 -3.45 0.01 0.00 -0.50 0.00 0.00 54.79 50.96 3k1y n ASP 104 Cb 0.31 -0.73 0.24 0.00 -1.14 0.00 0.00 41.12 39.79 3k1y n ASP 104 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k1y h ALA 105 N 1.70 1.46 -0.45 2.12 0.00 -1.83 -3.19 119.26 119.07 3k1y h ALA 105 Ca 0.35 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.90 3k1y h ALA 105 Cb 2.28 -0.31 -0.21 0.00 0.00 0.00 0.00 17.79 19.55 3k1y h ALA 105 CO 0.74 0.50 -0.40 1.28 0.00 0.00 0.00 179.25 181.37 3k1y n LEU 106 N -4.42 4.31 -4.69 0.00 4.77 -1.26 -4.30 117.00 111.41 3k1y n LEU 106 Ca 0.09 -4.22 -0.42 0.00 -0.03 0.00 0.00 56.01 51.43 3k1y n LEU 106 Cb 0.04 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 3k1y n LEU 106 CO 0.36 1.64 1.06 -0.89 -1.33 0.00 0.00 177.39 178.23 3k1y s THR 107 N -3.87 3.77 -0.04 -5.08 2.01 -1.21 -3.28 115.64 107.95 3k1y s THR 107 Ca 0.47 1.18 -0.03 0.00 0.31 0.00 0.00 61.69 63.62 3k1y s THR 107 Cb 0.41 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 69.17 3k1y s THR 107 CO -0.01 0.02 0.06 0.61 -0.69 0.00 0.00 174.62 174.61 3k1y n GLY 108 N 3.54 -3.55 3.11 4.40 0.00 -0.13 -4.94 105.19 107.62 3k1y n GLY 108 Ca 0.12 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.03 1.59 -0.13 1.61 0.02 -1.26 -4.46 135.00 131.34 3k1y s PRO 110 Ca -0.06 -0.55 -0.11 0.00 0.02 0.00 0.00 61.00 60.30 3k1y s PRO 110 Cb 0.00 -1.41 0.04 0.00 0.02 0.00 0.00 34.50 33.16 3k1y s PRO 110 CO 0.17 0.23 0.35 0.99 -0.33 0.00 0.00 177.00 178.41 3k1y s THR 111 N 0.04 -0.01 -0.17 0.99 2.01 0.15 -2.16 115.64 116.49 3k1y s THR 111 Ca -0.03 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 3k1y s THR 111 Cb -0.11 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 3k1y s THR 111 CO 0.02 0.01 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.30 3k1y s ILE 112 N 0.43 3.85 -0.13 1.82 1.01 -0.92 -0.51 121.20 126.75 3k1y s ILE 112 Ca -0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 3k1y s ILE 112 Cb -0.04 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3k1y s ILE 112 CO -0.02 0.47 0.13 0.27 0.00 0.00 0.00 174.94 175.79 3k1y s ILE 113 N 0.65 5.43 -0.00 2.92 -4.36 -1.26 -2.60 121.20 121.98 3k1y s ILE 113 Ca -0.02 0.18 -0.10 0.00 -0.26 0.00 0.00 60.65 60.45 3k1y s ILE 113 Cb -0.14 -3.37 0.01 0.00 1.25 0.00 0.00 42.46 40.21 3k1y s ILE 113 CO 0.02 0.60 0.20 0.00 0.24 0.00 0.00 174.94 176.01 3k1y s ALA 114 N -0.89 -0.50 0.18 2.27 0.00 0.09 -1.33 121.76 121.58 3k1y s ALA 114 Ca 0.14 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 3k1y s ALA 114 Cb -0.12 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3k1y s ALA 114 CO 0.03 -0.24 0.26 0.00 0.00 0.00 0.00 175.76 175.82 3k1y s ALA 115 N -1.44 0.28 0.11 0.00 0.00 -0.47 -1.68 121.76 118.55 3k1y s ALA 115 Ca -0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 3k1y s ALA 115 Cb -0.06 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.05 3k1y s ALA 115 CO 0.02 -0.65 0.23 -0.08 0.00 0.00 0.00 175.76 175.28 3k1y s THR 116 N -4.02 0.12 0.02 0.00 -1.32 -0.97 -0.67 115.64 108.79 3k1y s THR 116 Ca 0.23 -1.17 -0.12 0.00 -1.21 0.00 0.00 61.69 59.41 3k1y s THR 116 Cb 0.04 -1.44 0.04 0.00 -1.51 0.00 0.00 72.50 69.63 3k1y s THR 116 CO 0.04 -0.54 0.56 0.00 -2.21 0.00 0.00 174.62 172.48 3k1y n ALA 117 N -0.11 -1.56 0.04 11.08 0.00 -0.66 -2.97 120.51 126.33 3k1y n ALA 117 Ca -0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.79 3k1y n ALA 117 Cb 0.63 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.14 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 0.93 -0.21 -0.90 0.00 0.00 -1.94 -0.89 103.07 100.07 3k1y h GLY 118 Ca -0.11 0.08 -0.41 0.00 0.00 0.00 0.00 47.33 46.89 3k1y h GLY 118 CO 0.15 -0.08 -0.15 -1.14 0.00 0.00 0.00 176.54 175.33 3k1y n SER 119 N -4.90 2.05 -0.93 0.19 3.41 -1.26 -0.91 113.62 111.26 3k1y n SER 119 Ca -0.07 -2.34 0.08 0.00 -0.26 0.00 0.00 58.87 56.28 3k1y n SER 119 Cb 0.26 -0.15 0.22 0.00 -0.26 0.00 0.00 64.21 64.29 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 -2.27 2.26 0.16 7.33 0.00 -1.26 -4.61 120.51 122.11 3k1y n ALA 120 Ca -0.12 -1.21 0.16 0.00 0.00 0.00 0.00 53.44 52.27 3k1y n ALA 120 Cb 0.47 -0.64 0.74 0.00 0.00 0.00 0.00 19.45 20.02 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 2.96 0.00 -0.49 0.00 0.11 -2.01 -0.83 114.38 114.13 3k1y h ARG 121 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3k1y h ARG 121 Cb 0.84 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 3k1y h ARG 121 CO 0.00 0.00 0.02 0.72 0.10 0.00 0.00 179.97 180.81 3k1y n HIS 122 N -4.19 1.77 0.24 4.08 8.25 -1.26 -4.63 115.22 119.47 3k1y n HIS 122 Ca 0.03 -0.82 0.18 0.00 -0.26 0.00 0.00 57.72 56.85 3k1y n HIS 122 Cb 0.34 -0.47 0.88 0.00 1.12 0.00 0.00 29.99 31.86 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 3.23 0.00 0.00 0.41 4.64 -1.47 -0.23 113.55 120.14 3k1y h SER 123 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3k1y h SER 123 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 3k1y h SER 123 CO 0.43 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.57 3k1y n LEU 124 N -3.61 0.00 0.27 5.97 4.77 -1.26 -2.71 117.00 120.43 3k1y n LEU 124 Ca 0.01 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3k1y n LEU 124 Cb 0.30 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.10 3k1y n LEU 124 CO 0.25 0.00 0.98 1.62 -1.33 0.00 0.00 177.39 178.91 3k1y h VAL 125 N 0.00 0.20 0.47 4.08 3.04 -1.38 -2.55 116.25 120.11 3k1y h VAL 125 Ca 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 65.09 3k1y h VAL 125 Cb 0.00 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3k1y h VAL 125 CO 0.00 0.06 -0.22 -0.07 -1.01 0.00 0.00 177.57 176.33 3k1y h LEU 126 N 0.00 -0.53 -0.09 3.16 3.38 -1.76 -2.40 115.31 117.07 3k1y h LEU 126 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k1y h LEU 126 Cb 0.47 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3k1y h LEU 126 CO 0.01 -0.12 0.00 0.47 0.09 0.00 0.00 178.44 178.89 3k1y n ASP 127 N -5.21 0.21 -0.00 -0.43 8.00 -1.18 -0.67 116.55 117.27 3k1y n ASP 127 Ca -0.09 0.53 0.02 0.00 0.71 0.00 0.00 54.79 55.96 3k1y n ASP 127 Cb 0.29 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.71 0.00 0.05 1.24 4.01 -0.97 -4.55 117.16 115.23 3k1y n TYR 128 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3k1y n TYR 128 Cb 0.28 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.09 3.00 -0.02 -0.72 0.00 -0.94 -4.76 120.51 115.97 3k1y n ALA 129 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 3k1y n ALA 129 Cb 0.06 0.23 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 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 0.72 0.57 0.00 4.07 -1.28 -3.01 115.31 116.38 3k1y h LEU 130 Ca 0.00 -0.65 -0.03 0.00 0.08 0.00 0.00 57.88 57.28 3k1y h LEU 130 Cb 0.28 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 41.81 3k1y h LEU 130 CO 0.00 1.25 -0.27 -0.09 -1.08 0.00 0.00 178.44 178.25 3k1y h ARG 131 N 0.23 -0.74 -0.86 1.13 2.43 -1.17 -0.63 114.38 114.78 3k1y h ARG 131 Ca -0.04 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 3k1y h ARG 131 Cb 1.25 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.90 3k1y h ARG 131 CO 0.12 -0.48 0.56 -1.35 -1.51 0.00 0.00 179.97 177.32 3k1y h PRO 132 N -0.80 0.58 -0.12 0.20 0.11 -1.80 0.18 132.00 130.36 3k1y h PRO 132 Ca -0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 3k1y h PRO 132 Cb 0.60 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3k1y h PRO 132 CO 0.13 0.39 0.01 1.25 -0.21 0.00 0.00 178.00 179.56 3k1y h LEU 133 N 0.60 0.21 -0.71 2.35 5.85 -1.31 -0.30 115.31 121.99 3k1y h LEU 133 Ca 0.43 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3k1y h LEU 133 Cb 0.79 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3k1y h LEU 133 CO -0.19 0.45 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.89 3k1y h LEU 134 N -0.04 0.55 -0.57 2.25 -0.00 -0.34 -3.02 115.31 114.13 3k1y h LEU 134 Ca 0.04 -0.24 -0.14 0.00 -0.00 0.00 0.00 57.88 57.53 3k1y h LEU 134 Cb 0.34 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 3k1y h LEU 134 CO 0.01 0.89 -0.36 0.28 -0.00 0.00 0.00 178.44 179.26 3k1y h SER 135 N 0.43 0.79 0.00 -0.43 0.02 -0.61 -0.49 113.55 113.26 3k1y h SER 135 Ca 0.04 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3k1y h SER 135 Cb 0.89 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3k1y h SER 135 CO 0.08 1.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.84 3k1y n TYR 136 N -4.06 0.00 -2.16 3.45 9.36 -0.13 -4.29 117.16 119.34 3k1y n TYR 136 Ca -0.01 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.20 3k1y n TYR 136 Cb 0.51 -0.16 -0.01 0.00 -0.63 0.00 0.00 39.34 39.05 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 1.41 0.00 -2.67 2.98 1.74 -1.08 -5.11 116.66 113.93 3k1y n ARG 138 Ca 0.00 -1.12 -0.37 0.00 -0.77 0.00 0.00 57.85 55.59 3k1y n ARG 138 Cb 0.00 -0.02 -0.05 0.00 -1.02 0.00 0.00 32.46 31.36 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 3.16 -0.45 7.54 0.00 -0.21 -0.95 121.76 130.84 3k1y s ALA 139 Ca 0.11 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 3k1y s ALA 139 Cb 0.12 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.05 3k1y s ALA 139 CO -0.05 -0.00 0.58 0.14 0.00 0.00 0.00 175.76 176.42 3k1y s VAL 140 N -1.66 4.91 -0.24 0.00 -7.23 -1.26 -4.41 120.40 110.51 3k1y s VAL 140 Ca 0.54 -0.15 -0.20 0.00 -1.81 0.00 0.00 61.98 60.36 3k1y s VAL 140 Cb -0.20 -4.18 -0.02 0.00 0.56 0.00 0.00 36.38 32.54 3k1y s VAL 140 CO 0.25 -0.60 0.60 -0.69 -0.31 0.00 0.00 175.10 174.36 3k1y s VAL 141 N 2.59 5.01 0.39 1.32 1.01 -1.26 -0.67 120.40 128.79 3k1y s VAL 141 Ca 0.18 1.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.97 3k1y s VAL 141 Cb -0.16 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 3k1y s VAL 141 CO 0.16 0.06 1.44 0.68 0.00 0.00 0.00 175.10 177.45 3k1y s VAL 142 N 2.31 2.16 0.42 2.92 -7.23 0.34 -4.87 120.40 116.46 3k1y s VAL 142 Ca 0.26 0.16 0.24 0.00 -1.81 0.00 0.00 61.98 60.82 3k1y s VAL 142 Cb -0.16 -3.10 0.43 0.00 0.56 0.00 0.00 36.38 34.12 3k1y s VAL 142 CO 0.09 0.04 1.72 -0.65 -0.31 0.00 0.00 175.10 175.98 3k1y h PRO 143 N 2.91 0.25 -5.64 4.82 0.11 -1.96 -3.39 132.00 129.11 3k1y h PRO 143 Ca -0.51 -0.02 -0.62 0.00 0.11 0.00 0.00 66.00 64.97 3k1y h PRO 143 Cb 1.24 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 3k1y h PRO 143 CO 0.64 0.17 0.55 0.99 -0.21 0.00 0.00 178.00 180.13 3k1y s THR 144 N -5.39 4.35 0.42 -1.15 2.01 -1.26 -5.02 115.64 109.60 3k1y s THR 144 Ca -0.08 -0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.73 3k1y s THR 144 Cb 0.27 -4.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.09 3k1y s THR 144 CO 0.81 -1.30 0.82 -0.83 -0.69 0.00 0.00 174.62 173.43 3k1y s GLY 145 N 3.28 2.03 -0.31 4.40 0.00 -1.26 -4.67 107.32 110.79 3k1y s GLY 145 Ca 0.26 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.93 3k1y s GLY 145 CO 0.14 0.15 -0.00 0.14 0.00 0.00 0.00 173.10 173.53 3k1y s VAL 146 N -2.39 2.40 -0.33 1.40 1.01 -0.45 -5.03 120.40 117.02 3k1y s VAL 146 Ca 0.54 -1.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.50 3k1y s VAL 146 Cb -0.10 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.72 3k1y s VAL 146 CO 0.29 -0.34 0.09 0.12 0.00 0.00 0.00 175.10 175.26 3k1y s PHE 147 N 1.03 3.23 -0.34 5.22 5.36 -1.26 -1.37 117.98 129.85 3k1y s PHE 147 Ca 0.02 -1.38 -0.17 0.00 -0.96 0.00 0.00 56.93 54.44 3k1y s PHE 147 Cb -0.20 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.22 3k1y s PHE 147 CO -0.06 -0.71 0.45 0.00 -1.46 0.00 0.00 175.22 173.45 3k1y s ALA 148 N 1.41 3.49 -0.38 11.12 0.00 0.15 -4.98 121.76 132.57 3k1y s ALA 148 Ca -0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 3k1y s ALA 148 Cb -0.19 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3k1y s ALA 148 CO 0.02 -1.12 0.25 0.00 0.00 0.00 0.00 175.76 174.91 3k1y s ALA 149 N 2.24 3.39 0.47 0.00 0.00 -1.26 -1.66 121.76 124.95 3k1y s ALA 149 Ca 0.16 -1.66 0.13 0.00 0.00 0.00 0.00 51.96 50.59 3k1y s ALA 149 Cb -0.16 -2.72 1.09 0.00 0.00 0.00 0.00 23.12 21.33 3k1y s ALA 149 CO 0.12 -1.34 2.09 1.79 0.00 0.00 0.00 175.76 178.42 3k1y h THR 150 N 5.71 1.06 0.00 0.00 1.35 -0.80 -1.99 112.91 118.24 3k1y h THR 150 Ca -0.27 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3k1y h THR 150 Cb 1.12 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3k1y h THR 150 CO 0.69 0.07 0.00 -0.62 -0.25 0.00 0.00 175.52 175.41 3k1y n GLU 151 N -4.47 0.01 -0.97 4.72 1.02 -0.09 -2.52 120.64 118.33 3k1y n GLU 151 Ca -0.01 0.32 -0.07 0.00 -0.02 0.00 0.00 57.16 57.38 3k1y n GLU 151 Cb 0.12 -1.52 0.17 0.00 -0.02 0.00 0.00 31.44 30.19 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 -1.54 2.92 -4.92 1.62 8.00 -0.75 -5.03 116.55 116.85 3k1y n ASP 152 Ca 0.03 -3.82 -0.26 0.00 0.71 0.00 0.00 54.79 51.44 3k1y n ASP 152 Cb 0.13 -0.59 0.02 0.00 -0.02 0.00 0.00 41.12 40.65 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 -3.33 3.37 0.52 1.24 0.08 -1.05 -3.61 117.98 115.19 3k1y s PHE 153 Ca 0.45 0.66 0.00 0.00 0.12 0.00 0.00 56.93 58.16 3k1y s PHE 153 Cb 0.41 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 3k1y s PHE 153 CO -0.01 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 174.95 3k1y n GLY 154 N -2.40 -3.44 6.24 4.36 0.00 -1.26 -4.59 105.19 104.10 3k1y n GLY 154 Ca 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.56 -1.76 0.33 -0.02 0.00 -1.26 -2.56 105.19 96.35 3k1y n GLY 155 Ca -0.06 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.57 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 0.69 -0.08 1.61 0.11 -1.97 -2.59 132.00 129.77 3k1y h PRO 156 Ca 0.00 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3k1y h PRO 156 Cb 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.96 3k1y h PRO 156 CO 0.00 0.45 -0.22 0.93 -0.21 0.00 0.00 178.00 178.95 3k1y h GLU 157 N 0.71 0.29 -0.73 1.05 5.08 -1.87 -3.06 114.58 116.05 3k1y h GLU 157 Ca 0.22 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3k1y h GLU 157 Cb 0.03 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3k1y h GLU 157 CO -0.06 0.82 0.48 0.78 -1.00 0.00 0.00 179.01 180.03 3k1y h GLY 158 N -0.19 0.99 1.25 -3.84 0.00 -1.22 -1.48 103.07 98.59 3k1y h GLY 158 Ca -0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 47.33 46.78 3k1y h GLY 158 CO 0.05 0.28 -0.75 0.00 0.00 0.00 0.00 176.54 176.12 3k1y h ALA 159 N 1.59 0.38 -0.18 3.60 0.00 -1.54 -2.67 119.26 120.43 3k1y h ALA 159 Ca 0.30 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3k1y h ALA 159 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3k1y h ALA 159 CO -0.09 0.70 -0.10 1.49 0.00 0.00 0.00 179.25 181.24 3k1y h GLU 160 N 0.51 0.28 -0.14 0.00 4.22 -1.34 -2.45 114.58 115.67 3k1y h GLU 160 Ca -0.04 -0.06 -0.18 0.00 0.08 0.00 0.00 59.36 59.15 3k1y h GLU 160 Cb 1.36 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 3k1y h GLU 160 CO 0.15 0.40 -0.66 0.35 -2.18 0.00 0.00 179.01 177.06 3k1y h PHE 161 N 0.27 0.70 0.00 0.92 3.57 -1.20 -2.75 116.94 118.45 3k1y h PHE 161 Ca 0.06 -0.29 -0.06 0.00 3.53 0.00 0.00 57.97 61.21 3k1y h PHE 161 Cb 0.35 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3k1y h PHE 161 CO 0.01 1.05 -0.29 -0.91 -2.23 0.00 0.00 178.31 175.93 3k1y h ASN 162 N 0.39 0.00 0.02 0.41 2.35 -1.09 -2.01 115.58 115.65 3k1y h ASN 162 Ca -0.02 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 3k1y h ASN 162 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3k1y h ASN 162 CO 0.12 0.29 -0.77 0.50 -1.65 0.00 0.00 177.43 175.93 3k1y h LYS 163 N 0.00 0.64 -0.96 0.81 1.63 -1.40 -3.00 116.57 114.28 3k1y h LYS 163 Ca -0.00 -0.52 0.01 0.00 -0.85 0.00 0.00 60.65 59.28 3k1y h LYS 163 Cb 0.65 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.34 3k1y h LYS 163 CO 0.04 1.14 0.62 -0.09 -3.45 0.00 0.00 179.45 177.71 3k1y h ARG 164 N 0.43 1.28 -0.51 1.90 2.43 -1.08 -1.47 114.38 117.36 3k1y h ARG 164 Ca -0.05 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3k1y h ARG 164 Cb 1.38 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3k1y h ARG 164 CO 0.15 0.86 0.31 0.82 -1.51 0.00 0.00 179.97 180.60 3k1y h ILE 165 N 1.31 1.15 -0.70 1.20 2.04 -1.36 -2.21 117.51 118.94 3k1y h ILE 165 Ca 0.35 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3k1y h ILE 165 Cb -0.12 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 3k1y h ILE 165 CO -0.07 0.15 0.43 0.00 0.00 0.00 0.00 178.15 178.66 3k1y h ALA 166 N 1.15 0.93 -0.02 1.87 0.00 -1.22 0.24 119.26 122.21 3k1y h ALA 166 Ca 0.18 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3k1y h ALA 166 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3k1y h ALA 166 CO -0.03 0.18 -0.08 -0.09 0.00 0.00 0.00 179.25 179.22 3k1y h ARG 167 N 0.82 -0.12 -0.70 0.00 2.43 -0.79 0.80 114.38 116.82 3k1y h ARG 167 Ca 0.29 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3k1y h ARG 167 Cb 0.07 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 3k1y h ARG 167 CO -0.13 -0.08 0.46 0.00 -1.51 0.00 0.00 179.97 178.71 3k1y h ALA 168 N 0.88 0.89 -0.40 2.80 0.00 -1.02 0.11 119.26 122.53 3k1y h ALA 168 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3k1y h ALA 168 Cb 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3k1y h ALA 168 CO -0.10 0.32 0.19 0.00 0.00 0.00 0.00 179.25 179.66 3k1y h ALA 169 N 1.26 0.49 -0.43 0.00 0.00 0.33 -0.07 119.26 120.84 3k1y h ALA 169 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3k1y h ALA 169 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3k1y h ALA 169 CO -0.06 -0.17 0.17 0.78 0.00 0.00 0.00 179.25 179.98 3k1y h GLY 170 N 0.40 0.69 0.72 0.00 0.00 0.12 0.25 103.07 105.25 3k1y h GLY 170 Ca 0.17 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3k1y h GLY 170 CO -0.12 0.35 0.01 0.83 0.00 0.00 0.00 176.54 177.61 3k1y h GLU 171 N 0.55 0.08 -0.56 4.80 5.08 -0.41 -1.03 114.58 123.08 3k1y h GLU 171 Ca 0.14 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3k1y h GLU 171 Cb 0.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3k1y h GLU 171 CO -0.01 0.05 -0.01 1.25 -1.00 0.00 0.00 179.01 179.29 3k1y h LEU 172 N 0.08 0.94 -1.19 1.33 5.85 -0.80 -2.87 115.31 118.65 3k1y h LEU 172 Ca 0.09 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3k1y h LEU 172 Cb 0.11 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3k1y h LEU 172 CO -0.14 1.00 0.41 0.00 -0.34 0.00 0.00 178.44 179.37 3k1y h ALA 173 N 1.10 1.39 -0.18 1.25 0.00 0.03 -0.75 119.26 122.09 3k1y h ALA 173 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3k1y h ALA 173 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k1y h ALA 173 CO 0.03 0.52 0.06 0.77 0.00 0.00 0.00 179.25 180.63 3k1y h SER 174 N 0.99 0.26 -0.92 0.00 0.02 -0.99 -1.91 113.55 111.00 3k1y h SER 174 Ca 0.26 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3k1y h SER 174 Cb -0.01 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 3k1y h SER 174 CO -0.05 0.39 0.54 -0.07 -1.14 0.00 0.00 176.83 176.50 3k1y h LEU 175 N 0.12 1.12 -0.21 5.07 -0.00 -1.34 -1.90 115.31 118.17 3k1y h LEU 175 Ca 0.06 -0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.88 3k1y h LEU 175 Cb 0.22 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 3k1y h LEU 175 CO -0.00 0.87 0.09 0.40 -0.00 0.00 0.00 178.44 179.79 3k1y h ILE 176 N 1.27 0.97 0.00 1.22 2.04 -0.83 -2.70 117.51 119.48 3k1y h ILE 176 Ca 0.33 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.12 3k1y h ILE 176 Cb -0.03 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3k1y h ILE 176 CO -0.06 0.04 -0.14 1.33 0.00 0.00 0.00 178.15 179.32 3k1y n VAL 177 N -5.02 0.25 -0.04 1.67 0.24 -0.75 -3.55 118.33 111.12 3k1y n VAL 177 Ca -0.02 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 3k1y n VAL 177 Cb 0.07 -0.39 -0.09 0.00 -1.47 0.00 0.00 33.84 31.96 3k1y n VAL 177 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3k1y h GLU 178 N 0.00 0.23 -6.29 7.34 4.81 -1.04 -3.45 114.58 116.18 3k1y h GLU 178 Ca 0.00 -0.15 -0.64 0.00 -0.13 0.00 0.00 59.36 58.45 3k1y h GLU 178 Cb 0.61 0.02 0.10 0.00 0.63 0.00 0.00 28.75 30.11 3k1y h GLU 178 CO 0.00 0.73 -0.05 0.39 -0.73 0.00 0.00 179.01 179.35 3k1y n GLU 179 N -4.61 0.87 0.00 1.92 1.02 -1.06 -5.11 120.64 113.67 3k1y n GLU 179 Ca -0.08 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3k1y n GLU 179 Cb 0.37 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3k1y n GLU 179 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76