#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 -4.43 1.43 -0.00 -1.26 -5.22 115.22 105.75 3k1y n HIS 0 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 3k1y n HIS 0 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 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 4.21 1.08 0.06 -0.41 3.00 -0.71 -4.98 118.95 121.21 3k1y s ARG 2 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 55.73 54.95 3k1y s ARG 2 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 34.95 33.77 3k1y s ARG 2 CO 0.00 0.28 -0.17 0.95 0.00 0.00 0.00 175.30 176.36 3k1y s THR 3 N -0.88 2.88 -0.07 0.02 -4.23 -1.26 0.13 115.64 112.23 3k1y s THR 3 Ca 0.04 -1.25 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 3k1y s THR 3 Cb -0.08 -2.25 0.02 0.00 1.34 0.00 0.00 72.50 71.52 3k1y s THR 3 CO 0.02 0.27 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.04 3k1y s LEU 4 N -1.65 1.57 -0.11 4.79 2.96 0.52 -1.83 118.68 124.93 3k1y s LEU 4 Ca 0.16 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 3k1y s LEU 4 Cb -0.11 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 3k1y s LEU 4 CO 0.07 0.01 0.12 0.00 -1.32 0.00 0.00 176.35 175.23 3k1y s ALA 5 N 0.79 3.80 -0.10 5.97 0.00 -0.04 -1.55 121.76 130.63 3k1y s ALA 5 Ca -0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3k1y s ALA 5 Cb -0.15 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.10 3k1y s ALA 5 CO 0.02 0.62 -0.02 0.08 0.00 0.00 0.00 175.76 176.46 3k1y s VAL 6 N -1.03 0.63 -0.23 0.00 1.01 -0.56 -0.86 120.40 119.37 3k1y s VAL 6 Ca 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 3k1y s VAL 6 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3k1y s VAL 6 CO 0.05 0.26 0.11 -0.63 0.00 0.00 0.00 175.10 174.88 3k1y s ILE 7 N 1.86 4.91 -0.09 2.22 1.09 0.07 -0.05 121.20 131.21 3k1y s ILE 7 Ca 0.04 0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.65 3k1y s ILE 7 Cb -0.13 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 38.01 3k1y s ILE 7 CO -0.07 0.37 -0.20 -0.55 -0.10 0.00 0.00 174.94 174.40 3k1y s SER 8 N 1.02 2.65 -0.17 3.58 0.15 -0.40 -0.92 113.70 119.62 3k1y s SER 8 Ca 0.06 -0.47 0.17 0.00 0.70 0.00 0.00 55.95 56.40 3k1y s SER 8 Cb -0.14 -1.22 0.40 0.00 -1.71 0.00 0.00 66.02 63.35 3k1y s SER 8 CO 0.04 0.11 1.27 0.00 1.20 0.00 0.00 173.24 175.86 3k1y n ALA 9 N 3.65 2.82 -1.77 5.45 0.00 -0.80 -0.79 120.51 129.07 3k1y n ALA 9 Ca -0.20 -2.65 -0.38 0.00 0.00 0.00 0.00 53.44 50.21 3k1y n ALA 9 Cb 0.52 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.59 2.91 -0.09 0.00 0.00 -1.26 -4.60 107.32 101.69 3k1y s GLY 10 Ca 0.37 0.69 0.19 0.00 0.00 0.00 0.00 44.72 45.97 3k1y s GLY 10 CO 0.03 1.19 0.35 1.04 0.00 0.00 0.00 173.10 175.72 3k1y n LEU 11 N 0.72 0.15 -4.72 0.66 4.32 -1.26 -4.59 117.00 112.28 3k1y n LEU 11 Ca 0.01 0.07 -0.29 0.00 -0.02 0.00 0.00 56.01 55.78 3k1y n LEU 11 Cb 0.48 0.24 0.14 0.00 -1.62 0.00 0.00 43.42 42.67 3k1y n LEU 11 CO 0.48 0.25 0.67 -0.44 -1.22 0.00 0.00 177.39 177.13 3k1y s SER 12 N -5.19 3.32 -0.20 -1.43 0.01 -1.26 -5.00 113.70 103.95 3k1y s SER 12 Ca -0.08 1.30 -0.05 0.00 1.31 0.00 0.00 55.95 58.43 3k1y s SER 12 Cb 0.09 -1.97 0.10 0.00 0.21 0.00 0.00 66.02 64.46 3k1y s SER 12 CO 0.86 -2.71 0.35 0.42 0.41 0.00 0.00 173.24 172.57 3k1y s THR 13 N -3.02 -0.55 0.57 1.44 -4.23 -1.26 -2.89 115.64 105.70 3k1y s THR 13 Ca 0.64 0.08 -0.20 0.00 -1.18 0.00 0.00 61.69 61.02 3k1y s THR 13 Cb -0.17 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 3k1y s THR 13 CO 0.56 -0.02 1.27 -2.16 -0.54 0.00 0.00 174.62 173.73 3k1y s PRO 14 N 2.52 3.08 -0.22 3.99 0.04 -1.26 -5.13 135.00 138.02 3k1y s PRO 14 Ca 0.05 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 3k1y s PRO 14 Cb -0.14 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3k1y s PRO 14 CO -0.13 -1.17 0.34 0.45 0.04 0.00 0.00 177.00 176.53 3k1y s SER 15 N -1.31 6.34 0.10 6.66 0.15 -1.14 -4.96 113.70 119.54 3k1y s SER 15 Ca 0.74 0.40 -0.16 0.00 0.70 0.00 0.00 55.95 57.64 3k1y s SER 15 Cb -0.35 -2.20 -0.06 0.00 -1.71 0.00 0.00 66.02 61.71 3k1y s SER 15 CO 0.39 -0.05 1.50 0.28 1.20 0.00 0.00 173.24 176.56 3k1y h SER 16 N 7.46 0.66 -0.98 5.45 0.02 -1.98 -1.84 113.55 122.33 3k1y h SER 16 Ca -0.36 -0.38 0.12 0.00 -0.84 0.00 0.00 61.79 60.33 3k1y h SER 16 Cb 1.16 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.44 3k1y h SER 16 CO 0.70 0.88 0.60 0.74 -1.14 0.00 0.00 176.83 178.61 3k1y h THR 17 N 0.43 0.91 -0.21 -2.27 2.02 -1.94 0.51 112.91 112.36 3k1y h THR 17 Ca 0.08 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 3k1y h THR 17 Cb 0.61 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3k1y h THR 17 CO 0.04 0.17 -0.47 -0.09 0.37 0.00 0.00 175.52 175.54 3k1y h ARG 18 N 0.96 0.54 -0.15 6.66 9.65 -1.89 -2.31 114.38 127.84 3k1y h ARG 18 Ca 0.48 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 3k1y h ARG 18 Cb 0.48 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 3k1y h ARG 18 CO -0.27 0.90 0.09 1.96 2.80 0.00 0.00 179.97 185.45 3k1y h GLN 19 N 0.44 0.20 -0.04 0.20 4.20 -0.08 1.00 115.11 121.02 3k1y h GLN 19 Ca 0.03 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 3k1y h GLN 19 Cb 0.98 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3k1y h GLN 19 CO 0.09 0.15 -0.54 0.97 -0.67 0.00 0.00 178.83 178.83 3k1y h ILE 20 N 0.18 1.38 -0.47 2.54 2.10 -1.30 -0.73 117.51 121.21 3k1y h ILE 20 Ca 0.05 -1.86 -0.06 0.00 1.08 0.00 0.00 64.86 64.08 3k1y h ILE 20 Cb 0.00 1.96 -0.02 0.00 -1.09 0.00 0.00 36.82 37.67 3k1y h ILE 20 CO -0.01 0.54 0.05 0.00 -1.08 0.00 0.00 178.15 177.65 3k1y h ALA 21 N 1.35 1.22 -0.38 0.18 0.00 -0.98 -0.55 119.26 120.10 3k1y h ALA 21 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 3k1y h ALA 21 Cb 0.99 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3k1y h ALA 21 CO 0.08 0.52 -0.26 -0.44 0.00 0.00 0.00 179.25 179.15 3k1y h ASP 22 N 0.70 0.89 -0.11 0.00 3.32 -0.20 -0.87 116.42 120.15 3k1y h ASP 22 Ca 0.15 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 3k1y h ASP 22 Cb 0.35 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3k1y h ASP 22 CO 0.01 1.13 -0.10 0.28 -1.72 0.00 0.00 179.24 178.84 3k1y h SER 23 N 0.66 0.40 0.31 6.45 0.02 -0.69 0.24 113.55 120.94 3k1y h SER 23 Ca 0.08 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3k1y h SER 23 Cb 0.83 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.27 3k1y h SER 23 CO 0.07 0.54 -0.15 0.40 -1.14 0.00 0.00 176.83 176.55 3k1y h ILE 24 N 0.40 0.45 -0.93 3.27 2.04 -0.95 -2.53 117.51 119.25 3k1y h ILE 24 Ca 0.08 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.27 3k1y h ILE 24 Cb 0.42 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3k1y h ILE 24 CO 0.02 0.11 0.60 0.77 0.00 0.00 0.00 178.15 179.64 3k1y h SER 25 N -0.98 0.79 -0.62 1.72 4.64 -1.06 0.21 113.55 118.26 3k1y h SER 25 Ca -0.04 0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3k1y h SER 25 Cb 0.49 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3k1y h SER 25 CO 0.07 0.42 0.03 -0.33 -0.87 0.00 0.00 176.83 176.15 3k1y h GLU 26 N 0.85 1.07 -0.52 4.77 5.08 -1.01 -0.71 114.58 124.12 3k1y h GLU 26 Ca 0.46 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3k1y h GLU 26 Cb 0.56 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3k1y h GLU 26 CO -0.22 1.03 -0.02 0.00 -1.00 0.00 0.00 179.01 178.79 3k1y h ALA 27 N 1.00 0.70 -0.82 3.43 0.00 -0.56 -0.88 119.26 122.13 3k1y h ALA 27 Ca 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3k1y h ALA 27 Cb 0.52 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3k1y h ALA 27 CO 0.03 0.53 0.39 0.28 0.00 0.00 0.00 179.25 180.48 3k1y h VAL 28 N 0.79 1.25 -0.45 0.00 2.07 -0.39 0.38 116.25 119.91 3k1y h VAL 28 Ca 0.14 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3k1y h VAL 28 Cb 0.56 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3k1y h VAL 28 CO 0.03 0.30 0.23 0.74 0.02 0.00 0.00 177.57 178.89 3k1y h THR 29 N 1.17 1.17 -0.55 2.57 2.02 -0.89 0.21 112.91 118.62 3k1y h THR 29 Ca 0.28 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 3k1y h THR 29 Cb 0.11 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3k1y h THR 29 CO -0.04 0.19 -0.02 0.00 0.37 0.00 0.00 175.52 176.03 3k1y h ALA 30 N 1.07 0.94 -0.14 6.16 0.00 -0.56 -1.22 119.26 125.51 3k1y h ALA 30 Ca 0.16 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3k1y h ALA 30 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k1y h ALA 30 CO -0.02 0.64 -0.50 0.00 0.00 0.00 0.00 179.25 179.37 3k1y h ALA 31 N 1.10 0.90 0.00 0.00 0.00 0.24 -1.43 119.26 120.06 3k1y h ALA 31 Ca 0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3k1y h ALA 31 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3k1y h ALA 31 CO 0.03 0.66 -0.57 0.28 0.00 0.00 0.00 179.25 179.65 3k1y h VAL 32 N 0.29 1.18 -0.35 0.00 2.07 -0.38 -2.81 116.25 116.25 3k1y h VAL 32 Ca 0.01 -2.14 -0.16 0.00 0.82 0.00 0.00 66.70 65.23 3k1y h VAL 32 Cb 0.98 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3k1y h VAL 32 CO 0.08 0.56 -0.42 -1.28 0.02 0.00 0.00 177.57 176.54 3k1y h SER 33 N 0.00 0.95 0.59 0.57 0.87 -0.90 -1.92 113.55 113.71 3k1y h SER 33 Ca -0.01 -0.45 -0.06 0.00 -1.23 0.00 0.00 61.79 60.05 3k1y h SER 33 Cb 1.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3k1y h SER 33 CO 0.07 1.23 -0.30 0.00 -0.53 0.00 0.00 176.83 177.31 3k1y h ALA 34 N 0.81 1.18 -0.19 6.23 0.00 -1.15 -2.10 119.26 124.04 3k1y h ALA 34 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3k1y h ALA 34 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3k1y h ALA 34 CO 0.10 0.37 0.00 0.54 0.00 0.00 0.00 179.25 180.26 3k1y n ARG 35 N -3.71 1.52 -1.72 0.00 3.00 -1.07 -4.92 116.66 109.77 3k1y n ARG 35 Ca -0.01 -0.81 0.00 0.00 -0.01 0.00 0.00 57.85 57.02 3k1y n ARG 35 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 31.61 3k1y n ARG 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3k1y n GLY 36 N 0.94 0.91 3.51 -0.13 0.00 -0.79 -5.08 105.19 104.54 3k1y n GLY 36 Ca 0.11 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.53 1.65 -0.05 1.61 2.02 -0.74 -5.03 118.70 114.63 3k1y s GLU 37 Ca 0.00 -1.48 0.01 0.00 0.02 0.00 0.00 54.97 53.52 3k1y s GLU 37 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 34.13 34.64 3k1y s GLU 37 CO 0.00 -0.67 -0.07 0.00 0.02 0.00 0.00 175.26 174.54 3k1y s ALA 38 N -3.65 2.99 -0.12 5.21 0.00 -1.26 -3.42 121.76 121.51 3k1y s ALA 38 Ca 0.27 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3k1y s ALA 38 Cb 0.00 -1.21 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 3k1y s ALA 38 CO 0.13 0.58 -0.20 -1.17 0.00 0.00 0.00 175.76 175.11 3k1y s LEU 39 N -0.95 2.32 -0.12 0.00 0.20 -1.26 -1.74 118.68 117.13 3k1y s LEU 39 Ca 0.13 -0.48 -0.06 0.00 0.69 0.00 0.00 54.13 54.41 3k1y s LEU 39 Cb -0.11 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 3k1y s LEU 39 CO 0.03 0.15 0.12 -0.55 -0.29 0.00 0.00 176.35 175.81 3k1y s SER 40 N 0.39 6.21 -0.03 3.68 0.15 0.12 -4.99 113.70 119.23 3k1y s SER 40 Ca -0.15 0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.96 3k1y s SER 40 Cb -0.17 -1.98 -0.00 0.00 -1.71 0.00 0.00 66.02 62.16 3k1y s SER 40 CO 0.07 0.40 -0.15 0.54 1.20 0.00 0.00 173.24 175.30 3k1y s VAL 41 N -1.00 1.25 -0.29 4.45 0.11 -1.26 -0.36 120.40 123.30 3k1y s VAL 41 Ca 0.15 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 3k1y s VAL 41 Cb -0.12 -1.07 0.08 0.00 -1.53 0.00 0.00 36.38 33.74 3k1y s VAL 41 CO 0.04 0.36 -0.02 -0.55 -3.33 0.00 0.00 175.10 171.60 3k1y s SER 42 N -0.00 4.50 -0.23 3.54 0.15 -0.59 -4.98 113.70 116.08 3k1y s SER 42 Ca -0.02 -1.72 -0.15 0.00 0.70 0.00 0.00 55.95 54.77 3k1y s SER 42 Cb -0.10 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.66 3k1y s SER 42 CO 0.01 -0.29 0.35 -0.89 1.20 0.00 0.00 173.24 173.63 3k1y s THR 43 N 1.07 5.22 -0.35 6.45 2.01 -1.26 -1.50 115.64 127.28 3k1y s THR 43 Ca 0.01 0.57 -0.09 0.00 0.31 0.00 0.00 61.69 62.49 3k1y s THR 43 Cb -0.19 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.66 3k1y s THR 43 CO -0.07 0.23 0.16 -0.63 -0.69 0.00 0.00 174.62 173.62 3k1y s ILE 44 N 1.53 4.24 -0.52 1.82 -1.09 0.92 -4.98 121.20 123.13 3k1y s ILE 44 Ca 0.16 -0.91 -0.24 0.00 -2.23 0.00 0.00 60.65 57.43 3k1y s ILE 44 Cb -0.15 -3.35 0.04 0.00 -1.58 0.00 0.00 42.46 37.42 3k1y s ILE 44 CO 0.08 -0.17 0.91 -1.61 -1.23 0.00 0.00 174.94 172.92 3k1y s GLU 45 N 1.50 3.36 0.56 2.79 0.41 -1.26 -1.27 118.70 124.78 3k1y s GLU 45 Ca 0.01 -0.22 0.27 0.00 -0.41 0.00 0.00 54.97 54.62 3k1y s GLU 45 Cb -0.19 -4.02 1.47 0.00 -1.78 0.00 0.00 34.13 29.61 3k1y s GLU 45 CO 0.05 -1.39 1.99 -0.07 -0.49 0.00 0.00 175.26 175.34 3k1y h LEU 46 N 10.75 0.00 -1.56 1.80 3.38 -1.30 0.20 115.31 128.58 3k1y h LEU 46 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3k1y h LEU 46 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3k1y h LEU 46 CO 1.06 0.00 -0.11 0.77 0.09 0.00 0.00 178.44 180.24 3k1y h SER 47 N 0.00 0.00 -0.50 -0.43 4.64 -1.81 -1.94 113.55 113.52 3k1y h SER 47 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3k1y h SER 47 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3k1y h SER 47 CO -0.00 0.11 0.00 -0.62 -0.87 0.00 0.00 176.83 175.45 3k1y n GLU 48 N -3.34 2.26 -0.19 4.77 1.02 0.70 -3.69 120.64 122.17 3k1y n GLU 48 Ca -0.00 -1.83 0.04 0.00 -0.02 0.00 0.00 57.16 55.35 3k1y n GLU 48 Cb 0.32 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.94 1.28 0.10 -4.62 4.77 -0.73 -4.87 117.00 113.86 3k1y n LEU 49 Ca 0.17 -1.92 -0.15 0.00 -0.03 0.00 0.00 56.01 54.08 3k1y n LEU 49 Cb 0.45 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3k1y n LEU 49 CO 0.12 0.45 0.51 0.40 -1.33 0.00 0.00 177.39 177.55 3k1y h ILE 50 N 2.60 0.00 -0.54 -0.08 1.08 -1.62 0.22 117.51 119.17 3k1y h ILE 50 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 3k1y h ILE 50 Cb 1.06 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 3k1y h ILE 50 CO 0.00 0.00 0.32 1.55 -0.69 0.00 0.00 178.15 179.33 3k1y h PRO 51 N -0.68 0.62 -0.33 2.37 0.13 -1.90 -2.07 132.00 130.15 3k1y h PRO 51 Ca -0.00 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.14 3k1y h PRO 51 Cb 0.69 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.62 3k1y h PRO 51 CO -0.27 0.41 0.01 -0.44 -0.23 0.00 0.00 178.00 177.48 3k1y h ASP 52 N 0.64 -0.11 0.00 1.44 5.19 -1.84 0.45 116.42 122.20 3k1y h ASP 52 Ca 0.22 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3k1y h ASP 52 Cb 0.03 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.66 3k1y h ASP 52 CO -0.10 -0.02 0.00 0.18 -3.12 0.00 0.00 179.24 176.18 3k1y n LEU 53 N -5.16 1.51 0.00 1.55 4.32 0.76 -1.36 117.00 118.61 3k1y n LEU 53 Ca 0.01 -0.70 0.00 0.00 -0.02 0.00 0.00 56.01 55.30 3k1y n LEU 53 Cb 0.17 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 3k1y n LEU 53 CO 0.22 0.28 0.00 0.41 -1.22 0.00 0.00 177.39 177.08 3k1y n THR 55 N 1.45 0.00 0.08 -5.08 -1.04 0.16 -4.71 114.28 105.14 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 0.17 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 1.66 0.00 2.41 0.00 -0.47 -0.88 120.51 123.24 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 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.16 0.00 -3.96 0.00 -2.24 -1.26 -4.29 114.28 103.70 3k1y n THR 58 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3k1y n THR 58 Cb 0.06 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.15 -1.55 4.28 2.01 -0.06 -5.03 115.64 115.45 3k1y s THR 59 Ca 0.00 -1.20 0.08 0.00 0.31 0.00 0.00 61.69 60.88 3k1y s THR 59 Cb 0.00 -0.96 0.30 0.00 0.01 0.00 0.00 72.50 71.85 3k1y s THR 59 CO 0.00 -0.66 1.16 -2.11 -0.69 0.00 0.00 174.62 172.32 3k1y n ARG 60 N 0.70 2.04 -2.46 4.92 0.00 -1.26 -4.89 116.66 115.71 3k1y n ARG 60 Ca -0.18 -1.19 -0.42 0.00 -0.00 0.00 0.00 57.85 56.06 3k1y n ARG 60 Cb 0.59 -1.44 -0.03 0.00 -0.00 0.00 0.00 32.46 31.57 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 -1.64 4.06 -0.21 8.89 1.01 -1.26 -4.95 120.40 126.29 3k1y s VAL 61 Ca 0.22 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.65 3k1y s VAL 61 Cb 0.13 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3k1y s VAL 61 CO 0.12 0.14 0.06 -1.00 0.00 0.00 0.00 175.10 174.42 3k1y s HIS 62 N 0.82 3.15 0.96 5.22 3.76 -1.26 -3.34 115.29 124.60 3k1y s HIS 62 Ca 0.57 -0.18 -0.12 0.00 -0.15 0.00 0.00 55.06 55.18 3k1y s HIS 62 Cb -0.29 -2.15 0.17 0.00 1.11 0.00 0.00 32.58 31.42 3k1y s HIS 62 CO 0.30 -0.11 1.09 0.95 -0.85 0.00 0.00 174.74 176.12 3k1y s THR 63 N 1.00 2.37 0.25 1.30 -4.23 -1.26 -4.74 115.64 110.33 3k1y s THR 63 Ca 0.04 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.62 3k1y s THR 63 Cb -0.14 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.43 3k1y s THR 63 CO 0.03 -0.16 1.91 0.74 -0.54 0.00 0.00 174.62 176.61 3k1y h THR 64 N -1.81 1.20 -0.12 3.99 2.02 -1.99 -0.20 112.91 116.00 3k1y h THR 64 Ca -0.52 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 3k1y h THR 64 Cb 1.30 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3k1y h THR 64 CO 0.54 0.24 0.06 0.50 0.37 0.00 0.00 175.52 177.23 3k1y h LYS 65 N 1.30 0.18 -0.16 6.66 3.64 -2.00 -2.16 116.57 124.03 3k1y h LYS 65 Ca 0.39 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.64 3k1y h LYS 65 Cb -0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3k1y h LYS 65 CO -0.11 0.24 -0.34 1.25 -2.27 0.00 0.00 179.45 178.22 3k1y h LEU 66 N 0.07 0.34 -0.82 5.20 5.85 -1.82 -2.08 115.31 122.05 3k1y h LEU 66 Ca 0.04 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 3k1y h LEU 66 Cb 0.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3k1y h LEU 66 CO -0.01 0.66 -0.26 -0.08 -0.34 0.00 0.00 178.44 178.42 3k1y h GLU 67 N 0.29 0.60 -0.13 1.25 4.57 -0.90 -0.68 114.58 119.57 3k1y h GLU 67 Ca 0.03 -0.24 -0.20 0.00 -1.18 0.00 0.00 59.36 57.78 3k1y h GLU 67 Cb 0.74 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 3k1y h GLU 67 CO 0.06 0.80 -0.72 0.93 -1.18 0.00 0.00 179.01 178.90 3k1y h GLU 68 N 0.52 0.59 0.10 1.92 5.08 -1.20 -1.89 114.58 119.71 3k1y h GLU 68 Ca 0.07 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3k1y h GLU 68 Cb 0.72 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3k1y h GLU 68 CO 0.06 1.09 -0.05 0.82 -1.00 0.00 0.00 179.01 179.92 3k1y h ILE 69 N 0.41 1.07 -0.16 3.13 2.04 -1.20 -0.57 117.51 122.24 3k1y h ILE 69 Ca -0.03 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 3k1y h ILE 69 Cb 1.31 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3k1y h ILE 69 CO 0.14 0.16 -0.18 0.71 0.00 0.00 0.00 178.15 178.98 3k1y h THR 70 N -0.45 1.21 -0.20 -0.27 1.35 -1.18 0.21 112.91 113.58 3k1y h THR 70 Ca -0.01 -0.94 -0.10 0.00 -0.55 0.00 0.00 66.41 64.81 3k1y h THR 70 Cb 0.37 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3k1y h THR 70 CO 0.02 0.29 -0.26 0.28 -0.25 0.00 0.00 175.52 175.60 3k1y h SER 71 N 0.25 0.58 -0.48 5.36 0.02 -1.30 -1.71 113.55 116.27 3k1y h SER 71 Ca 0.05 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 3k1y h SER 71 Cb 0.46 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3k1y h SER 71 CO 0.03 0.97 0.12 0.00 -1.14 0.00 0.00 176.83 176.81 3k1y h ALA 72 N 0.62 0.63 0.20 3.77 0.00 -0.81 -2.29 119.26 121.39 3k1y h ALA 72 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3k1y h ALA 72 Cb 0.83 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3k1y h ALA 72 CO 0.06 0.32 -0.51 1.25 0.00 0.00 0.00 179.25 180.37 3k1y h LEU 73 N 0.65 -1.49 -2.78 0.00 5.85 -0.49 -0.38 115.31 116.66 3k1y h LEU 73 Ca 0.15 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 3k1y h LEU 73 Cb 0.33 0.54 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3k1y h LEU 73 CO 0.00 -0.57 -0.00 0.28 -0.34 0.00 0.00 178.44 177.80 3k1y h SER 74 N -0.79 0.00 -0.26 1.25 0.02 -1.26 -0.68 113.55 111.83 3k1y h SER 74 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3k1y h SER 74 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3k1y h SER 74 CO -0.23 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.46 3k1y n ALA 75 N -2.15 2.46 -1.60 3.77 0.00 -0.49 -4.96 120.51 117.54 3k1y n ALA 75 Ca -0.03 -0.78 -0.31 0.00 0.00 0.00 0.00 53.44 52.32 3k1y n ALA 75 Cb 0.09 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 18.65 3k1y n ALA 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1y s SER 76 N -1.60 5.11 -0.03 0.00 0.01 -0.26 -4.94 113.70 111.98 3k1y s SER 76 Ca 0.35 1.46 0.19 0.00 1.31 0.00 0.00 55.95 59.26 3k1y s SER 76 Cb 0.21 -2.29 -0.22 0.00 0.21 0.00 0.00 66.02 63.93 3k1y s SER 76 CO 0.30 -1.60 0.52 0.47 0.41 0.00 0.00 173.24 173.34 3k1y n ASP 77 N -3.21 0.36 -3.84 2.44 8.00 -0.76 -4.97 116.55 114.57 3k1y n ASP 77 Ca 0.07 0.15 -0.10 0.00 0.71 0.00 0.00 54.79 55.62 3k1y n ASP 77 Cb 0.55 0.96 -0.08 0.00 -0.02 0.00 0.00 41.12 42.53 3k1y n ASP 77 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3k1y s GLY 78 N -4.89 0.03 -0.02 0.44 0.00 -1.07 -4.26 107.32 97.55 3k1y s GLY 78 Ca -0.06 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.37 3k1y s GLY 78 CO 0.84 -0.49 -0.05 -2.27 0.00 0.00 0.00 173.10 171.14 3k1y s LEU 79 N -2.21 1.65 -0.11 0.66 2.96 -0.33 -0.86 118.68 120.44 3k1y s LEU 79 Ca -0.03 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3k1y s LEU 79 Cb -0.00 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.36 3k1y s LEU 79 CO -0.05 0.00 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.13 3k1y s VAL 80 N 0.40 1.60 -0.07 1.68 1.01 -0.03 -1.57 120.40 123.42 3k1y s VAL 80 Ca -0.05 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3k1y s VAL 80 Cb -0.08 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3k1y s VAL 80 CO -0.00 0.46 -0.19 0.68 0.00 0.00 0.00 175.10 176.04 3k1y s VAL 81 N 0.95 2.56 -0.02 2.92 -7.23 -0.40 -0.75 120.40 118.43 3k1y s VAL 81 Ca -0.07 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3k1y s VAL 81 Cb -0.15 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.83 3k1y s VAL 81 CO -0.02 0.57 -0.00 0.00 -0.31 0.00 0.00 175.10 175.34 3k1y s ALA 82 N -0.27 0.27 0.00 1.32 0.00 -0.10 0.31 121.76 123.29 3k1y s ALA 82 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3k1y s ALA 82 Cb -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3k1y s ALA 82 CO 0.03 -0.04 0.02 -0.08 0.00 0.00 0.00 175.76 175.68 3k1y s THR 83 N 0.77 0.06 1.04 0.00 -1.32 -0.85 -1.91 115.64 113.43 3k1y s THR 83 Ca -0.08 -0.48 -0.17 0.00 -1.21 0.00 0.00 61.69 59.75 3k1y s THR 83 Cb -0.11 -0.19 0.24 0.00 -1.51 0.00 0.00 72.50 70.93 3k1y s THR 83 CO -0.01 -0.26 1.29 -2.16 -2.21 0.00 0.00 174.62 171.26 3k1y s PRO 84 N -0.79 -0.00 -0.21 7.08 0.04 -1.26 -2.22 135.00 137.63 3k1y s PRO 84 Ca -0.09 -0.41 -0.04 0.00 0.04 0.00 0.00 61.00 60.50 3k1y s PRO 84 Cb -0.05 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 3k1y s PRO 84 CO -0.00 -2.85 -0.04 0.08 0.04 0.00 0.00 177.00 174.23 3k1y s VAL 85 N -3.72 3.46 -0.08 -0.36 1.01 -1.12 -4.03 120.40 115.57 3k1y s VAL 85 Ca 0.75 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.30 3k1y s VAL 85 Cb -0.04 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.77 3k1y s VAL 85 CO 0.54 0.43 -0.20 -0.36 0.00 0.00 0.00 175.10 175.50 3k1y s PHE 86 N 1.34 2.15 -1.52 5.22 0.08 0.09 -4.73 117.98 120.62 3k1y s PHE 86 Ca 0.04 -0.79 -0.12 0.00 0.12 0.00 0.00 56.93 56.18 3k1y s PHE 86 Cb -0.14 -1.46 0.08 0.00 -0.57 0.00 0.00 43.02 40.93 3k1y s PHE 86 CO -0.02 -0.32 0.86 1.63 -0.10 0.00 0.00 175.22 177.28 3k1y n LYS 87 N 3.44 -4.84 -3.03 0.44 4.76 -1.26 -1.90 118.16 115.77 3k1y n LYS 87 Ca -0.20 0.54 -0.21 0.00 -2.87 0.00 0.00 58.31 55.58 3k1y n LYS 87 Cb 0.53 -5.30 0.04 0.00 -1.84 0.00 0.00 35.03 28.46 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 -4.55 -0.95 -3.93 7.82 0.00 -1.26 -4.96 120.51 112.68 3k1y n ALA 88 Ca -0.03 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.68 3k1y n ALA 88 Cb 0.55 -3.88 0.02 0.00 0.00 0.00 0.00 19.45 16.14 3k1y n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1y s SER 89 N -2.79 0.02 0.91 0.00 0.15 -0.80 -4.84 113.70 106.35 3k1y s SER 89 Ca 0.32 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 56.26 3k1y s SER 89 Cb -0.14 0.43 0.14 0.00 -1.71 0.00 0.00 66.02 64.73 3k1y s SER 89 CO 0.39 -0.85 1.09 -0.72 1.20 0.00 0.00 173.24 174.35 3k1y s TYR 90 N -2.05 2.09 0.35 3.44 -0.85 -1.26 -0.73 117.35 118.35 3k1y s TYR 90 Ca 0.25 1.42 -0.28 0.00 -0.52 0.00 0.00 57.07 57.94 3k1y s TYR 90 Cb -0.02 -3.17 -0.10 0.00 0.38 0.00 0.00 41.96 39.05 3k1y s TYR 90 CO 0.04 -2.56 1.30 0.99 -1.52 0.00 0.00 175.55 173.81 3k1y s THR 91 N -2.80 2.70 0.29 -3.49 2.01 -1.26 -4.58 115.64 108.51 3k1y s THR 91 Ca 0.64 0.68 -0.02 0.00 0.31 0.00 0.00 61.69 63.30 3k1y s THR 91 Cb -0.20 -3.42 0.27 0.00 0.01 0.00 0.00 72.50 69.16 3k1y s THR 91 CO 0.58 0.15 1.94 1.23 -0.69 0.00 0.00 174.62 177.82 3k1y h GLY 92 N 3.18 1.30 1.04 4.40 0.00 -1.93 0.28 103.07 111.32 3k1y h GLY 92 Ca -0.49 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.34 3k1y h GLY 92 CO 0.65 0.41 0.27 -2.00 0.00 0.00 0.00 176.54 175.86 3k1y h LEU 93 N 1.16 1.03 -0.05 3.11 5.85 -1.96 -2.53 115.31 121.92 3k1y h LEU 93 Ca 0.35 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3k1y h LEU 93 Cb -0.03 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3k1y h LEU 93 CO -0.10 0.94 -0.05 0.15 -0.34 0.00 0.00 178.44 179.03 3k1y h PHE 94 N 1.06 -0.13 0.00 1.25 3.57 -1.51 -2.36 116.94 118.83 3k1y h PHE 94 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3k1y h PHE 94 Cb 0.24 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3k1y h PHE 94 CO 0.02 -0.09 0.00 1.17 -2.23 0.00 0.00 178.31 177.18 3k1y n LYS 95 N -5.17 0.16 0.00 1.11 3.00 -0.06 -3.17 118.16 114.03 3k1y n LYS 95 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 3k1y n LYS 95 Cb 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 33.72 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 1.47 0.00 0.20 5.64 7.35 -0.89 -1.24 117.46 130.00 3k1y n PHE 97 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 3k1y n PHE 97 Cb 0.08 0.00 0.31 0.00 0.35 0.00 0.00 39.48 40.22 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 0.00 -5.13 0.04 -1.84 -2.87 116.94 107.14 3k1y h PHE 98 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 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 0.29 -0.49 -0.44 -0.60 0.00 0.00 178.31 177.08 3k1y h ASP 99 N 0.00 0.00 1.57 2.17 3.32 -1.48 -2.96 116.42 119.03 3k1y h ASP 99 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k1y h ASP 99 Cb 0.96 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3k1y h ASP 99 CO 0.04 0.49 -0.01 0.40 -1.72 0.00 0.00 179.24 178.43 3k1y h ILE 100 N 0.00 0.03 -4.21 0.35 1.08 -1.78 -3.46 117.51 109.51 3k1y h ILE 100 Ca -0.00 -0.82 -0.50 0.00 -0.39 0.00 0.00 64.86 63.14 3k1y h ILE 100 Cb 0.88 1.80 0.09 0.00 -3.07 0.00 0.00 36.82 36.52 3k1y h ILE 100 CO 0.06 0.01 0.37 -0.76 -0.69 0.00 0.00 178.15 177.15 3k1y s LEU 101 N -6.21 3.40 0.82 1.44 1.43 -1.12 -5.03 118.68 113.42 3k1y s LEU 101 Ca 0.04 1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 3k1y s LEU 101 Cb 0.07 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.83 3k1y s LEU 101 CO 0.62 -1.46 1.09 -1.81 0.23 0.00 0.00 176.35 175.02 3k1y s ASP 102 N -2.75 4.10 0.13 2.29 1.01 -1.26 -4.93 116.67 115.26 3k1y s ASP 102 Ca 0.65 1.66 -0.23 0.00 0.71 0.00 0.00 52.55 55.34 3k1y s ASP 102 Cb -0.18 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3k1y s ASP 102 CO 0.41 -2.27 1.67 0.74 0.21 0.00 0.00 175.17 175.93 3k1y h THR 103 N -1.29 0.59 -0.22 -1.27 2.02 -1.97 -2.46 112.91 108.30 3k1y h THR 103 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3k1y h THR 103 Cb 1.25 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3k1y h THR 103 CO 0.53 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.52 3k1y n ASP 104 N -5.30 2.34 -0.25 4.18 5.75 -1.26 -4.57 116.55 117.44 3k1y n ASP 104 Ca -0.04 -2.24 -0.02 0.00 -0.01 0.00 0.00 54.79 52.48 3k1y n ASP 104 Cb 0.22 -0.47 0.10 0.00 -1.03 0.00 0.00 41.12 39.94 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 2.91 0.95 -0.21 2.12 0.00 -1.80 -3.26 119.26 119.97 3k1y h ALA 105 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3k1y h ALA 105 Cb 0.85 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3k1y h ALA 105 CO 0.13 0.12 -0.35 1.28 0.00 0.00 0.00 179.25 180.43 3k1y n LEU 106 N -4.73 3.50 -4.66 0.00 4.77 -1.26 -4.43 117.00 110.18 3k1y n LEU 106 Ca 0.09 -3.94 -0.42 0.00 -0.03 0.00 0.00 56.01 51.71 3k1y n LEU 106 Cb 0.15 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 3k1y n LEU 106 CO 0.30 1.41 1.54 -0.89 -1.33 0.00 0.00 177.39 178.43 3k1y s THR 107 N -3.37 3.17 -0.02 -5.08 2.01 -1.23 -3.48 115.64 107.64 3k1y s THR 107 Ca 0.42 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.61 3k1y s THR 107 Cb 0.39 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.77 3k1y s THR 107 CO -0.04 -0.02 0.03 0.61 -0.69 0.00 0.00 174.62 174.51 3k1y n GLY 108 N 4.45 -3.31 3.04 4.40 0.00 0.01 -4.95 105.19 108.83 3k1y n GLY 108 Ca 0.19 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.27 1.11 0.02 1.61 0.02 -1.26 -4.53 135.00 130.70 3k1y s PRO 110 Ca -0.03 -0.38 -0.11 0.00 0.02 0.00 0.00 61.00 60.50 3k1y s PRO 110 Cb 0.00 -1.02 0.01 0.00 0.02 0.00 0.00 34.50 33.51 3k1y s PRO 110 CO 0.08 0.17 0.22 0.99 -0.33 0.00 0.00 177.00 178.12 3k1y s THR 111 N 0.07 0.09 -0.17 0.99 2.01 0.02 -1.19 115.64 117.47 3k1y s THR 111 Ca -0.02 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3k1y s THR 111 Cb -0.08 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.67 3k1y s THR 111 CO 0.01 -0.42 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.69 3k1y s ILE 112 N -2.13 2.05 -0.11 1.82 1.01 -0.61 -1.35 121.20 121.89 3k1y s ILE 112 Ca -0.08 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.50 3k1y s ILE 112 Cb -0.03 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3k1y s ILE 112 CO -0.01 0.54 0.29 0.27 0.00 0.00 0.00 174.94 176.03 3k1y s ILE 113 N 1.15 5.27 0.01 2.92 -4.36 -1.26 -1.27 121.20 123.66 3k1y s ILE 113 Ca 0.01 0.56 -0.04 0.00 -0.26 0.00 0.00 60.65 60.92 3k1y s ILE 113 Cb -0.14 -3.60 -0.01 0.00 1.25 0.00 0.00 42.46 39.96 3k1y s ILE 113 CO -0.10 0.50 0.06 0.00 0.24 0.00 0.00 174.94 175.64 3k1y s ALA 114 N -0.31 -0.12 0.14 2.27 0.00 0.15 -1.38 121.76 122.52 3k1y s ALA 114 Ca 0.18 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 3k1y s ALA 114 Cb -0.14 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3k1y s ALA 114 CO 0.07 -0.17 0.23 0.00 0.00 0.00 0.00 175.76 175.88 3k1y s ALA 115 N -1.26 0.11 -0.05 0.00 0.00 -0.33 -2.01 121.76 118.22 3k1y s ALA 115 Ca -0.14 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 3k1y s ALA 115 Cb -0.08 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.85 3k1y s ALA 115 CO 0.00 -0.59 0.27 -0.08 0.00 0.00 0.00 175.76 175.36 3k1y s THR 116 N -3.96 0.04 0.05 0.00 -1.32 -0.94 -0.99 115.64 108.51 3k1y s THR 116 Ca 0.16 -0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.32 3k1y s THR 116 Cb 0.04 -0.49 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 3k1y s THR 116 CO -0.02 -0.17 0.09 0.00 -2.21 0.00 0.00 174.62 172.31 3k1y n ALA 117 N 2.03 -0.19 0.01 11.08 0.00 -0.86 -2.78 120.51 129.81 3k1y n ALA 117 Ca -0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 3k1y n ALA 117 Cb 0.57 0.12 -0.00 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 0.23 -0.05 -0.82 0.00 0.00 -1.95 -2.88 103.07 97.60 3k1y h GLY 118 Ca -0.04 0.02 -0.29 0.00 0.00 0.00 0.00 47.33 47.02 3k1y h GLY 118 CO 0.05 -0.02 0.09 -1.14 0.00 0.00 0.00 176.54 175.52 3k1y n SER 119 N -2.48 0.78 -0.70 0.19 3.41 -1.26 -3.65 113.62 109.91 3k1y n SER 119 Ca -0.01 -1.68 0.08 0.00 -0.26 0.00 0.00 58.87 57.00 3k1y n SER 119 Cb 0.02 -0.43 0.11 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.99 2.39 0.31 7.33 0.00 -1.26 -4.49 120.51 121.81 3k1y n ALA 120 Ca -0.11 -0.82 0.20 0.00 0.00 0.00 0.00 53.44 52.71 3k1y n ALA 120 Cb 0.37 -0.54 1.04 0.00 0.00 0.00 0.00 19.45 20.32 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 2.93 0.00 -0.58 0.00 0.11 -2.01 -0.34 114.38 114.49 3k1y h ARG 121 Ca 0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 3k1y h ARG 121 Cb 0.70 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.65 3k1y h ARG 121 CO 0.00 0.00 0.19 0.72 0.10 0.00 0.00 179.97 180.98 3k1y n HIS 122 N -3.25 1.88 0.31 4.08 8.25 -1.26 -4.50 115.22 120.73 3k1y n HIS 122 Ca -0.02 -1.36 0.04 0.00 -0.26 0.00 0.00 57.72 56.12 3k1y n HIS 122 Cb 0.17 -0.61 0.18 0.00 1.12 0.00 0.00 29.99 30.86 3k1y n HIS 122 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3k1y n SER 123 N -0.67 0.00 0.27 0.41 3.41 -0.14 -2.09 113.62 114.82 3k1y n SER 123 Ca 0.38 0.42 0.18 0.00 -0.26 0.00 0.00 58.87 59.59 3k1y n SER 123 Cb 1.24 -0.45 0.93 0.00 -0.26 0.00 0.00 64.21 65.67 3k1y n SER 123 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 3k1y h LEU 124 N 0.00 0.00 -2.35 1.04 8.10 -1.82 -2.64 115.31 117.64 3k1y h LEU 124 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3k1y h LEU 124 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.34 3k1y h LEU 124 CO 0.00 0.00 0.00 1.62 -4.11 0.00 0.00 178.44 175.95 3k1y h VAL 125 N 0.00 0.00 0.19 0.15 3.04 -1.75 -2.22 116.25 115.66 3k1y h VAL 125 Ca 0.00 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 3k1y h VAL 125 Cb 0.14 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 3k1y h VAL 125 CO 0.00 0.00 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.40 3k1y h LEU 126 N 0.00 -0.21 -2.24 3.16 3.38 -1.74 -1.51 115.31 116.15 3k1y h LEU 126 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3k1y h LEU 126 Cb 0.11 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3k1y h LEU 126 CO 0.00 0.31 0.00 0.47 0.09 0.00 0.00 178.44 179.31 3k1y n ASP 127 N -4.93 3.26 0.00 -0.43 8.00 -1.20 -0.29 116.55 120.96 3k1y n ASP 127 Ca -0.05 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.44 3k1y n ASP 127 Cb 0.18 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 1.25 0.00 0.12 1.24 4.01 -0.84 -4.70 117.16 118.25 3k1y n TYR 128 Ca 0.20 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3k1y n TYR 128 Cb 0.52 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 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 -0.06 2.68 0.08 -0.72 0.00 -1.18 -4.87 120.51 116.44 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 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.22 -0.58 0.00 4.07 -1.27 -2.63 115.31 114.67 3k1y h LEU 130 Ca 0.00 -0.31 0.12 0.00 0.08 0.00 0.00 57.88 57.77 3k1y h LEU 130 Cb 0.00 0.06 -0.09 0.00 1.08 0.00 0.00 40.66 41.70 3k1y h LEU 130 CO 0.00 0.28 0.04 -0.09 -1.08 0.00 0.00 178.44 177.59 3k1y h ARG 131 N -0.83 0.15 -0.57 1.13 2.43 -0.90 -0.38 114.38 115.42 3k1y h ARG 131 Ca -0.03 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3k1y h ARG 131 Cb 0.52 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3k1y h ARG 131 CO 0.04 0.10 0.17 -1.35 -1.51 0.00 0.00 179.97 177.42 3k1y h PRO 132 N 0.15 0.89 -0.57 0.20 0.11 -1.82 0.15 132.00 131.11 3k1y h PRO 132 Ca 0.30 -0.20 0.01 0.00 0.11 0.00 0.00 66.00 66.23 3k1y h PRO 132 Cb 0.48 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 3k1y h PRO 132 CO -0.47 0.81 0.37 1.25 -0.21 0.00 0.00 178.00 179.75 3k1y h LEU 133 N 0.80 0.63 -0.72 2.35 5.85 -0.94 0.81 115.31 124.08 3k1y h LEU 133 Ca 0.18 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3k1y h LEU 133 Cb 0.30 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3k1y h LEU 133 CO -0.00 0.45 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.84 3k1y h LEU 134 N 0.74 0.00 -0.05 2.25 -0.00 -0.91 -3.22 115.31 114.12 3k1y h LEU 134 Ca 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.05 3k1y h LEU 134 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 3k1y h LEU 134 CO -0.06 0.63 -0.14 0.28 -0.00 0.00 0.00 178.44 179.15 3k1y h SER 135 N 0.00 0.22 0.00 -0.43 0.02 -0.22 -0.87 113.55 112.27 3k1y h SER 135 Ca -0.01 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3k1y h SER 135 Cb 1.13 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3k1y h SER 135 CO 0.08 0.77 0.00 0.00 -1.14 0.00 0.00 176.83 176.54 3k1y n TYR 136 N -4.62 0.00 -2.03 3.45 9.36 0.23 -4.13 117.16 119.42 3k1y n TYR 136 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 3k1y n TYR 136 Cb 0.38 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 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 1.10 0.00 -1.84 2.98 1.74 -1.19 -5.12 116.66 114.33 3k1y n ARG 138 Ca 0.00 -0.91 -0.32 0.00 -0.77 0.00 0.00 57.85 55.85 3k1y n ARG 138 Cb 0.00 -0.38 0.03 0.00 -1.02 0.00 0.00 32.46 31.09 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 2.67 -0.57 7.54 0.00 -0.34 -0.81 121.76 130.25 3k1y s ALA 139 Ca 0.02 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.20 3k1y s ALA 139 Cb 0.02 -3.22 0.15 0.00 0.00 0.00 0.00 23.12 20.07 3k1y s ALA 139 CO -0.01 -1.02 0.45 0.54 0.00 0.00 0.00 175.76 175.72 3k1y s VAL 140 N -2.64 4.39 -0.17 0.00 0.11 -1.26 -4.59 120.40 116.25 3k1y s VAL 140 Ca 0.62 -2.14 -0.26 0.00 -2.93 0.00 0.00 61.98 57.27 3k1y s VAL 140 Cb -0.16 -3.85 -0.01 0.00 -1.53 0.00 0.00 36.38 30.83 3k1y s VAL 140 CO 0.43 -0.85 0.88 -0.69 -3.33 0.00 0.00 175.10 171.55 3k1y s VAL 141 N 0.87 4.84 0.44 2.04 1.01 -1.26 -0.80 120.40 127.54 3k1y s VAL 141 Ca 0.10 1.73 -0.24 0.00 0.00 0.00 0.00 61.98 63.57 3k1y s VAL 141 Cb -0.22 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 3k1y s VAL 141 CO -0.03 -0.00 1.21 0.68 0.00 0.00 0.00 175.10 176.96 3k1y s VAL 142 N 2.26 2.95 0.36 2.92 -7.23 -0.45 -4.91 120.40 116.29 3k1y s VAL 142 Ca 0.40 0.76 0.16 0.00 -1.81 0.00 0.00 61.98 61.49 3k1y s VAL 142 Cb -0.17 -3.41 0.36 0.00 0.56 0.00 0.00 36.38 33.72 3k1y s VAL 142 CO 0.12 0.04 1.70 -0.65 -0.31 0.00 0.00 175.10 176.00 3k1y h PRO 143 N 2.30 0.36 -6.18 4.82 0.11 -1.96 -3.38 132.00 128.07 3k1y h PRO 143 Ca -0.49 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.03 3k1y h PRO 143 Cb 1.25 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 3k1y h PRO 143 CO 0.61 0.24 1.32 0.99 -0.21 0.00 0.00 178.00 180.95 3k1y s THR 144 N -5.61 3.83 0.57 -1.15 2.01 -1.26 -4.99 115.64 109.03 3k1y s THR 144 Ca -0.10 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 3k1y s THR 144 Cb 0.28 -4.96 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 3k1y s THR 144 CO 0.80 -1.86 0.95 -0.83 -0.69 0.00 0.00 174.62 172.99 3k1y s GLY 145 N 4.69 1.66 -0.19 4.40 0.00 -1.26 -4.70 107.32 111.91 3k1y s GLY 145 Ca 0.43 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.98 3k1y s GLY 145 CO -0.00 0.06 -0.14 0.14 0.00 0.00 0.00 173.10 173.16 3k1y s VAL 146 N -2.99 1.82 -0.31 1.40 1.01 -0.48 -5.03 120.40 115.83 3k1y s VAL 146 Ca 0.53 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3k1y s VAL 146 Cb -0.11 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.55 3k1y s VAL 146 CO 0.49 0.29 -0.01 0.12 0.00 0.00 0.00 175.10 175.99 3k1y s PHE 147 N 1.34 3.45 -0.50 5.22 5.36 -1.26 -1.18 117.98 130.41 3k1y s PHE 147 Ca 0.00 -2.44 -0.21 0.00 -0.96 0.00 0.00 56.93 53.33 3k1y s PHE 147 Cb -0.15 -2.40 0.04 0.00 -0.34 0.00 0.00 43.02 40.17 3k1y s PHE 147 CO -0.09 -0.89 0.71 0.00 -1.46 0.00 0.00 175.22 173.48 3k1y s ALA 148 N 1.08 3.32 -0.54 11.12 0.00 -0.16 -4.99 121.76 131.59 3k1y s ALA 148 Ca -0.01 -1.45 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 3k1y s ALA 148 Cb -0.20 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.59 3k1y s ALA 148 CO -0.05 -2.04 0.55 0.00 0.00 0.00 0.00 175.76 174.23 3k1y s ALA 149 N 3.02 3.54 0.51 0.00 0.00 -1.26 -2.02 121.76 125.54 3k1y s ALA 149 Ca 0.21 -2.28 0.29 0.00 0.00 0.00 0.00 51.96 50.18 3k1y s ALA 149 Cb -0.16 -3.32 1.40 0.00 0.00 0.00 0.00 23.12 21.04 3k1y s ALA 149 CO 0.16 -2.06 1.88 1.79 0.00 0.00 0.00 175.76 177.53 3k1y h THR 150 N 5.87 0.57 0.00 0.00 1.35 -1.61 -0.40 112.91 118.69 3k1y h THR 150 Ca -0.29 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3k1y h THR 150 Cb 1.10 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3k1y h THR 150 CO 1.02 0.02 0.00 -0.62 -0.25 0.00 0.00 175.52 175.68 3k1y n GLU 151 N -4.33 0.19 -0.10 4.72 1.02 -1.24 -2.29 120.64 118.61 3k1y n GLU 151 Ca 0.19 0.16 0.07 0.00 -0.02 0.00 0.00 57.16 57.56 3k1y n GLU 151 Cb 0.92 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.96 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 -1.30 2.68 -4.62 1.62 8.00 -0.16 -4.97 116.55 117.81 3k1y n ASP 152 Ca 0.06 -1.79 -0.43 0.00 0.71 0.00 0.00 54.79 53.35 3k1y n ASP 152 Cb 0.11 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3k1y n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3k1y s PHE 153 N -1.14 2.18 0.00 1.24 0.40 -0.97 -2.98 117.98 116.71 3k1y s PHE 153 Ca 0.23 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 3k1y s PHE 153 Cb 0.14 -4.05 0.00 0.00 0.51 0.00 0.00 43.02 39.62 3k1y s PHE 153 CO 0.20 -2.62 0.00 0.41 0.70 0.00 0.00 175.22 173.91 3k1y n GLY 154 N 4.81 3.71 7.00 4.36 0.00 -1.26 -4.91 105.19 118.91 3k1y n GLY 154 Ca 0.19 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.35 0.98 0.23 -0.02 0.00 -1.26 -2.68 105.19 101.09 3k1y n GLY 155 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.37 -1.00 1.61 0.11 -2.00 -2.34 132.00 128.02 3k1y h PRO 156 Ca 0.00 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.25 3k1y h PRO 156 Cb 0.00 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 31.06 3k1y h PRO 156 CO 0.00 -0.25 -0.50 0.39 -0.21 0.00 0.00 178.00 177.43 3k1y n GLU 157 N -3.85 -0.35 -0.14 1.05 1.02 -1.25 -0.53 120.64 116.58 3k1y n GLU 157 Ca -0.04 1.52 -0.04 0.00 -0.02 0.00 0.00 57.16 58.58 3k1y n GLU 157 Cb 0.20 -2.24 0.04 0.00 -0.02 0.00 0.00 31.44 29.42 3k1y n GLU 157 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3k1y h GLY 158 N 0.00 0.48 0.04 0.62 0.00 -1.40 0.06 103.07 102.87 3k1y h GLY 158 Ca 0.24 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.71 3k1y h GLY 158 CO -0.96 -0.09 0.03 0.00 0.00 0.00 0.00 176.54 175.52 3k1y h ALA 159 N 1.36 0.60 0.00 3.60 0.00 -0.24 -0.06 119.26 124.52 3k1y h ALA 159 Ca 0.22 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 3k1y h ALA 159 Cb 0.30 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3k1y h ALA 159 CO -0.33 -0.38 -0.51 0.93 0.00 0.00 0.00 179.25 178.97 3k1y h GLU 160 N 0.14 0.00 0.07 0.00 4.39 -0.57 -2.77 114.58 115.85 3k1y h GLU 160 Ca 0.30 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 3k1y h GLU 160 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3k1y h GLU 160 CO -0.48 0.51 -0.04 0.35 -1.16 0.00 0.00 179.01 178.20 3k1y h PHE 161 N 0.00 -0.09 0.00 4.33 3.57 0.89 0.25 116.94 125.89 3k1y h PHE 161 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3k1y h PHE 161 Cb 0.91 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3k1y h PHE 161 CO 0.00 0.03 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.01 3k1y h ASN 162 N -0.19 0.00 -0.27 0.41 2.35 -1.39 0.31 115.58 116.80 3k1y h ASN 162 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3k1y h ASN 162 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3k1y h ASN 162 CO 0.02 0.19 0.08 0.50 -1.65 0.00 0.00 177.43 176.56 3k1y h LYS 163 N 0.00 0.42 -0.20 0.81 1.63 -1.07 -2.16 116.57 116.00 3k1y h LYS 163 Ca -0.00 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3k1y h LYS 163 Cb 0.34 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3k1y h LYS 163 CO 0.02 0.50 0.09 -0.09 -3.45 0.00 0.00 179.45 176.52 3k1y h ARG 164 N 0.26 0.29 -0.96 1.90 2.43 0.97 -1.77 114.38 117.51 3k1y h ARG 164 Ca 0.09 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 3k1y h ARG 164 Cb 0.26 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.67 3k1y h ARG 164 CO -0.00 0.34 0.58 0.82 -1.51 0.00 0.00 179.97 180.19 3k1y h ILE 165 N 0.18 0.85 -0.16 1.20 2.04 -0.92 0.18 117.51 120.87 3k1y h ILE 165 Ca 0.07 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 3k1y h ILE 165 Cb 0.15 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3k1y h ILE 165 CO -0.01 0.16 -0.21 0.00 0.00 0.00 0.00 178.15 178.09 3k1y h ALA 166 N 1.55 1.34 -0.41 1.87 0.00 -0.88 0.19 119.26 122.92 3k1y h ALA 166 Ca 0.50 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3k1y h ALA 166 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3k1y h ALA 166 CO -0.30 0.45 -0.15 -0.09 0.00 0.00 0.00 179.25 179.16 3k1y h ARG 167 N 0.26 0.83 -0.52 0.00 2.43 0.17 -1.00 114.38 116.55 3k1y h ARG 167 Ca 0.04 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 3k1y h ARG 167 Cb 0.53 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3k1y h ARG 167 CO 0.04 0.97 0.02 0.00 -1.51 0.00 0.00 179.97 179.48 3k1y h ALA 168 N 0.83 1.06 -0.08 2.80 0.00 -0.82 -1.95 119.26 121.11 3k1y h ALA 168 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3k1y h ALA 168 Cb 0.69 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3k1y h ALA 168 CO 0.05 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.94 3k1y h ALA 169 N 1.22 0.10 -0.53 0.00 0.00 -0.71 -1.18 119.26 118.16 3k1y h ALA 169 Ca 0.16 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3k1y h ALA 169 Cb 0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3k1y h ALA 169 CO 0.02 -0.41 0.20 0.78 0.00 0.00 0.00 179.25 179.84 3k1y h GLY 170 N 0.10 0.71 1.03 0.00 0.00 -0.92 0.20 103.07 104.20 3k1y h GLY 170 Ca 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.26 3k1y h GLY 170 CO -0.01 0.02 0.64 0.83 0.00 0.00 0.00 176.54 178.02 3k1y h GLU 171 N 0.39 1.26 0.16 4.80 5.08 -0.95 -0.27 114.58 125.05 3k1y h GLU 171 Ca 0.25 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3k1y h GLU 171 Cb 0.26 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3k1y h GLU 171 CO -0.25 0.84 -0.08 1.25 -1.00 0.00 0.00 179.01 179.77 3k1y h LEU 172 N 1.30 -0.18 -0.54 1.33 5.85 -0.27 -2.77 115.31 120.04 3k1y h LEU 172 Ca 0.36 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.83 3k1y h LEU 172 Cb -0.13 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 3k1y h LEU 172 CO -0.08 0.34 0.05 0.00 -0.34 0.00 0.00 178.44 178.40 3k1y h ALA 173 N -0.14 0.56 -0.43 1.25 0.00 -0.50 0.45 119.26 120.44 3k1y h ALA 173 Ca -0.02 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3k1y h ALA 173 Cb 0.53 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 3k1y h ALA 173 CO 0.04 -0.36 0.09 0.77 0.00 0.00 0.00 179.25 179.79 3k1y h SER 174 N 0.17 0.02 -0.81 0.00 0.02 -1.11 0.90 113.55 112.74 3k1y h SER 174 Ca 0.28 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3k1y h SER 174 Cb 0.42 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 3k1y h SER 174 CO -0.42 0.04 0.44 -0.07 -1.14 0.00 0.00 176.83 175.69 3k1y h LEU 175 N 0.23 1.02 0.98 5.07 4.07 -0.80 -2.40 115.31 123.48 3k1y h LEU 175 Ca 0.21 -0.10 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 3k1y h LEU 175 Cb 0.26 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 41.75 3k1y h LEU 175 CO -0.27 0.83 -0.47 0.40 -1.08 0.00 0.00 178.44 177.85 3k1y h ILE 176 N 1.13 0.00 0.00 1.22 1.08 0.14 -2.97 117.51 118.11 3k1y h ILE 176 Ca 0.29 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 3k1y h ILE 176 Cb 0.04 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 3k1y h ILE 176 CO -0.04 0.00 0.00 1.33 -0.69 0.00 0.00 178.15 178.75 3k1y n VAL 177 N -5.58 0.88 0.07 1.67 0.24 0.16 -2.27 118.33 113.50 3k1y n VAL 177 Ca -0.16 0.22 -0.09 0.00 -2.04 0.00 0.00 64.34 62.27 3k1y n VAL 177 Cb 0.52 -0.98 -0.12 0.00 -1.47 0.00 0.00 33.84 31.78 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 0.06 -7.29 7.34 4.81 -1.27 -3.46 114.58 114.77 3k1y h GLU 178 Ca 0.00 -0.10 -0.50 0.00 -0.13 0.00 0.00 59.36 58.63 3k1y h GLU 178 Cb 0.20 0.04 0.17 0.00 0.63 0.00 0.00 28.75 29.78 3k1y h GLU 178 CO 0.00 1.03 0.24 -1.21 -0.73 0.00 0.00 179.01 178.34 3k1y s GLU 179 N -2.69 1.32 0.00 1.92 2.02 -0.96 -5.11 118.70 115.20 3k1y s GLU 179 Ca -0.00 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.21 3k1y s GLU 179 Cb 0.09 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.54 3k1y s GLU 179 CO 0.83 -2.32 0.44 0.45 0.02 0.00 0.00 175.26 174.68