#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k20 s ARG 2 N 0.00 3.48 -0.11 1.57 3.00 -0.66 -5.11 118.95 121.12 3k20 s ARG 2 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 55.73 55.53 3k20 s ARG 2 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 34.95 31.80 3k20 s ARG 2 CO 0.00 0.71 -0.08 0.95 0.00 0.00 0.00 175.30 176.88 3k20 s THR 3 N -1.21 3.57 -0.17 0.02 -4.23 -1.26 -0.44 115.64 111.90 3k20 s THR 3 Ca 0.23 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3k20 s THR 3 Cb -0.13 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.24 3k20 s THR 3 CO 0.13 0.54 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.42 3k20 s LEU 4 N -0.08 1.94 0.14 4.79 2.96 0.04 -1.24 118.68 127.22 3k20 s LEU 4 Ca 0.00 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.09 3k20 s LEU 4 Cb -0.13 -1.17 -0.07 0.00 0.50 0.00 0.00 46.19 45.32 3k20 s LEU 4 CO 0.03 -0.11 0.54 0.00 -1.32 0.00 0.00 176.35 175.49 3k20 s ALA 5 N 1.47 3.59 -0.06 5.97 0.00 -0.47 -1.25 121.76 130.99 3k20 s ALA 5 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 3k20 s ALA 5 Cb -0.15 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.49 3k20 s ALA 5 CO -0.09 0.46 -0.02 0.08 0.00 0.00 0.00 175.76 176.19 3k20 s VAL 6 N -1.44 0.45 -0.29 0.00 1.01 -0.48 -1.41 120.40 118.24 3k20 s VAL 6 Ca 0.37 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 3k20 s VAL 6 Cb -0.15 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3k20 s VAL 6 CO 0.19 0.25 0.07 -0.63 0.00 0.00 0.00 175.10 174.98 3k20 s ILE 7 N 1.61 3.87 -0.07 2.22 -1.09 0.03 -0.07 121.20 127.70 3k20 s ILE 7 Ca -0.00 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 3k20 s ILE 7 Cb -0.13 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3k20 s ILE 7 CO -0.04 0.10 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.13 3k20 s SER 8 N 1.49 4.46 -0.14 3.58 0.15 -0.23 -1.11 113.70 121.90 3k20 s SER 8 Ca 0.02 -0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.75 3k20 s SER 8 Cb -0.17 -1.10 0.31 0.00 -1.71 0.00 0.00 66.02 63.35 3k20 s SER 8 CO 0.02 0.35 1.16 0.00 1.20 0.00 0.00 173.24 175.97 3k20 n ALA 9 N 2.31 2.64 -1.48 5.45 0.00 -1.00 -0.84 120.51 127.58 3k20 n ALA 9 Ca -0.18 -2.72 -0.32 0.00 0.00 0.00 0.00 53.44 50.23 3k20 n ALA 9 Cb 0.53 -0.39 0.05 0.00 0.00 0.00 0.00 19.45 19.64 3k20 n ALA 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k20 s GLY 10 N -2.85 1.93 -0.04 0.00 0.00 -1.26 -4.66 107.32 100.44 3k20 s GLY 10 Ca 0.32 0.36 0.05 0.00 0.00 0.00 0.00 44.72 45.44 3k20 s GLY 10 CO -0.00 0.69 0.04 1.04 0.00 0.00 0.00 173.10 174.87 3k20 n LEU 11 N -2.78 0.00 -4.89 0.66 4.32 -1.26 -4.50 117.00 108.55 3k20 n LEU 11 Ca 0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.79 3k20 n LEU 11 Cb 0.53 0.09 0.08 0.00 -1.62 0.00 0.00 43.42 42.50 3k20 n LEU 11 CO 0.51 0.09 0.78 -0.44 -1.22 0.00 0.00 177.39 177.10 3k20 s SER 12 N -3.37 4.78 -0.13 -1.43 0.01 -1.26 -5.04 113.70 107.27 3k20 s SER 12 Ca -0.02 0.90 -0.04 0.00 1.31 0.00 0.00 55.95 58.10 3k20 s SER 12 Cb 0.02 -1.48 0.06 0.00 0.21 0.00 0.00 66.02 64.82 3k20 s SER 12 CO 0.21 -1.74 0.13 0.42 0.41 0.00 0.00 173.24 172.67 3k20 s THR 13 N -3.50 -0.19 0.80 1.44 -4.23 -1.26 -3.27 115.64 105.42 3k20 s THR 13 Ca 0.61 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 3k20 s THR 13 Cb -0.11 -0.43 0.08 0.00 1.34 0.00 0.00 72.50 73.38 3k20 s THR 13 CO 0.50 -0.05 1.15 -2.16 -0.54 0.00 0.00 174.62 173.52 3k20 s PRO 14 N 2.23 1.81 -0.28 3.99 0.04 -1.26 -5.14 135.00 136.38 3k20 s PRO 14 Ca 0.04 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 3k20 s PRO 14 Cb -0.14 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 3k20 s PRO 14 CO -0.08 -2.03 0.09 0.45 0.04 0.00 0.00 177.00 175.47 3k20 s SER 15 N -2.67 5.18 0.29 6.66 0.15 -1.20 -4.96 113.70 117.14 3k20 s SER 15 Ca 0.67 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 3k20 s SER 15 Cb -0.23 -1.91 0.41 0.00 -1.71 0.00 0.00 66.02 62.58 3k20 s SER 15 CO 0.52 -0.14 1.96 0.28 1.20 0.00 0.00 173.24 177.06 3k20 h SER 16 N 8.25 0.99 -0.33 5.45 0.02 -1.99 0.13 113.55 126.07 3k20 h SER 16 Ca -0.34 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.61 3k20 h SER 16 Cb 1.15 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 3k20 h SER 16 CO 0.60 0.71 0.15 0.74 -1.14 0.00 0.00 176.83 177.89 3k20 h THR 17 N 1.17 0.97 -0.08 -2.27 2.02 -1.93 -1.12 112.91 111.67 3k20 h THR 17 Ca 0.32 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 3k20 h THR 17 Cb -0.11 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3k20 h THR 17 CO -0.07 0.06 -0.42 -0.09 0.37 0.00 0.00 175.52 175.37 3k20 h ARG 18 N 0.32 0.17 0.50 6.66 9.65 -1.77 -0.76 114.38 129.15 3k20 h ARG 18 Ca 0.14 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 3k20 h ARG 18 Cb 0.07 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3k20 h ARG 18 CO -0.11 0.56 -0.31 1.96 2.80 0.00 0.00 179.97 184.87 3k20 h GLN 19 N 0.14 -0.74 -0.07 0.20 4.20 0.39 0.49 115.11 119.73 3k20 h GLN 19 Ca 0.01 0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 3k20 h GLN 19 Cb 0.80 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3k20 h GLN 19 CO 0.06 -0.49 -0.55 0.97 -0.67 0.00 0.00 178.83 178.15 3k20 h ILE 20 N -0.76 1.37 -0.75 2.54 2.10 -1.23 -0.15 117.51 120.63 3k20 h ILE 20 Ca -0.06 -1.86 0.04 0.00 1.08 0.00 0.00 64.86 64.07 3k20 h ILE 20 Cb 0.62 1.93 -0.04 0.00 -1.09 0.00 0.00 36.82 38.24 3k20 h ILE 20 CO 0.06 0.55 0.49 0.00 -1.08 0.00 0.00 178.15 178.17 3k20 h ALA 21 N 1.28 1.60 -0.11 0.18 0.00 -0.91 0.14 119.26 121.43 3k20 h ALA 21 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3k20 h ALA 21 Cb 1.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3k20 h ALA 21 CO 0.08 0.31 -0.38 -0.44 0.00 0.00 0.00 179.25 178.82 3k20 h ASP 22 N 0.87 0.52 -0.56 0.00 3.32 -0.25 -1.38 116.42 118.94 3k20 h ASP 22 Ca 0.31 -0.62 0.10 0.00 0.02 0.00 0.00 57.03 56.84 3k20 h ASP 22 Cb 0.12 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 39.44 3k20 h ASP 22 CO -0.09 1.05 0.11 0.28 -1.72 0.00 0.00 179.24 178.87 3k20 h SER 23 N 0.03 -0.00 -0.03 6.45 0.02 -0.15 0.22 113.55 120.08 3k20 h SER 23 Ca -0.02 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3k20 h SER 23 Cb 1.01 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 3k20 h SER 23 CO 0.08 0.02 0.00 0.40 -1.14 0.00 0.00 176.83 176.19 3k20 h ILE 24 N 0.25 1.24 -0.43 3.27 2.04 -0.75 -1.96 117.51 121.18 3k20 h ILE 24 Ca 0.29 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 3k20 h ILE 24 Cb 0.41 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3k20 h ILE 24 CO -0.37 0.20 0.08 0.77 0.00 0.00 0.00 178.15 178.82 3k20 h SER 25 N -0.24 0.61 -0.26 1.72 4.64 -0.82 0.14 113.55 119.34 3k20 h SER 25 Ca 0.01 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3k20 h SER 25 Cb 0.32 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3k20 h SER 25 CO 0.00 0.64 0.11 -0.33 -0.87 0.00 0.00 176.83 176.38 3k20 h GLU 26 N 0.64 0.38 -0.81 4.77 5.08 -0.53 -1.01 114.58 123.09 3k20 h GLU 26 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3k20 h GLU 26 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3k20 h GLU 26 CO 0.00 0.40 0.51 0.00 -1.00 0.00 0.00 179.01 178.92 3k20 h ALA 27 N 0.96 1.37 -0.27 3.43 0.00 -0.69 -1.04 119.26 123.02 3k20 h ALA 27 Ca 0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3k20 h ALA 27 Cb 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k20 h ALA 27 CO -0.01 0.56 -0.29 0.28 0.00 0.00 0.00 179.25 179.80 3k20 h VAL 28 N 1.11 1.28 -0.50 0.00 2.07 -0.33 -1.57 116.25 118.32 3k20 h VAL 28 Ca 0.30 -1.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 3k20 h VAL 28 Cb -0.08 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3k20 h VAL 28 CO -0.06 0.44 -0.04 0.74 0.02 0.00 0.00 177.57 178.67 3k20 h THR 29 N 0.48 1.27 -0.93 2.57 2.02 -0.47 -0.89 112.91 116.95 3k20 h THR 29 Ca 0.06 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 3k20 h THR 29 Cb 0.74 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 3k20 h THR 29 CO 0.06 0.40 0.53 0.00 0.37 0.00 0.00 175.52 176.88 3k20 h ALA 30 N 0.92 1.19 -0.12 6.16 0.00 -0.96 -0.84 119.26 125.62 3k20 h ALA 30 Ca 0.14 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3k20 h ALA 30 Cb 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k20 h ALA 30 CO 0.03 0.67 -0.75 0.00 0.00 0.00 0.00 179.25 179.21 3k20 h ALA 31 N 1.29 0.47 0.00 0.00 0.00 -1.05 -1.81 119.26 118.16 3k20 h ALA 31 Ca 0.33 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3k20 h ALA 31 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3k20 h ALA 31 CO -0.06 0.72 -0.49 0.28 0.00 0.00 0.00 179.25 179.70 3k20 h VAL 32 N 0.41 1.17 -0.22 0.00 2.07 -0.99 -2.31 116.25 116.39 3k20 h VAL 32 Ca -0.04 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 3k20 h VAL 32 Cb 1.35 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3k20 h VAL 32 CO 0.14 0.48 -0.09 -1.28 0.02 0.00 0.00 177.57 176.85 3k20 h SER 33 N 0.00 0.45 0.01 0.57 0.87 -1.03 -0.00 113.55 114.42 3k20 h SER 33 Ca -0.00 -0.40 -0.00 0.00 -1.23 0.00 0.00 61.79 60.16 3k20 h SER 33 Cb 0.99 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3k20 h SER 33 CO 0.06 0.75 -0.01 0.00 -0.53 0.00 0.00 176.83 177.10 3k20 h ALA 34 N 0.72 1.81 -0.29 6.23 0.00 -1.09 0.45 119.26 127.08 3k20 h ALA 34 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k20 h ALA 34 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3k20 h ALA 34 CO 0.03 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.83 3k20 n ARG 35 N -4.27 2.18 -0.77 0.00 1.74 -0.89 -4.89 116.66 109.76 3k20 n ARG 35 Ca -0.03 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 3k20 n ARG 35 Cb 0.09 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 3k20 n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k20 n GLY 36 N 0.68 0.63 3.53 -0.13 0.00 0.16 -5.05 105.19 105.01 3k20 n GLY 36 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3k20 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k20 s GLU 37 N -0.23 1.81 -0.11 1.61 2.02 -0.05 -4.98 118.70 118.77 3k20 s GLU 37 Ca 0.00 -2.04 -0.06 0.00 0.02 0.00 0.00 54.97 52.90 3k20 s GLU 37 Cb 0.00 -1.09 -0.04 0.00 0.10 0.00 0.00 34.13 33.10 3k20 s GLU 37 CO 0.00 -0.20 0.10 0.00 0.02 0.00 0.00 175.26 175.18 3k20 s ALA 38 N -3.10 3.70 -0.16 5.21 0.00 -1.26 -2.94 121.76 123.21 3k20 s ALA 38 Ca 0.32 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3k20 s ALA 38 Cb 0.08 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.38 3k20 s ALA 38 CO 0.15 0.60 -0.20 -1.17 0.00 0.00 0.00 175.76 175.14 3k20 s LEU 39 N -0.96 2.15 -0.35 0.00 1.98 -1.26 -1.65 118.68 118.58 3k20 s LEU 39 Ca 0.14 -0.62 -0.15 0.00 -2.89 0.00 0.00 54.13 50.62 3k20 s LEU 39 Cb -0.12 -1.47 -0.01 0.00 0.66 0.00 0.00 46.19 45.25 3k20 s LEU 39 CO 0.03 0.04 0.33 -0.55 -1.89 0.00 0.00 176.35 174.31 3k20 s SER 40 N 1.08 6.14 -0.28 3.68 0.15 0.41 -4.97 113.70 119.91 3k20 s SER 40 Ca -0.00 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 3k20 s SER 40 Cb -0.14 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3k20 s SER 40 CO -0.08 -0.34 0.13 0.54 1.20 0.00 0.00 173.24 174.69 3k20 s VAL 41 N 1.93 4.61 -0.37 4.45 0.11 -1.26 -0.78 120.40 129.09 3k20 s VAL 41 Ca 0.10 -0.23 -0.09 0.00 -2.93 0.00 0.00 61.98 58.83 3k20 s VAL 41 Cb -0.17 -3.25 0.04 0.00 -1.53 0.00 0.00 36.38 31.47 3k20 s VAL 41 CO 0.11 0.20 0.18 -0.55 -3.33 0.00 0.00 175.10 171.72 3k20 s SER 42 N 1.64 5.58 -0.10 3.54 0.15 -0.38 -4.99 113.70 119.13 3k20 s SER 42 Ca 0.06 -1.14 -0.09 0.00 0.70 0.00 0.00 55.95 55.48 3k20 s SER 42 Cb -0.16 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 3k20 s SER 42 CO 0.06 -0.40 0.19 -0.89 1.20 0.00 0.00 173.24 173.41 3k20 s THR 43 N 1.48 5.41 -0.14 6.45 2.01 -1.26 -1.38 115.64 128.20 3k20 s THR 43 Ca 0.01 0.34 0.02 0.00 0.31 0.00 0.00 61.69 62.37 3k20 s THR 43 Cb -0.20 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 68.85 3k20 s THR 43 CO 0.05 0.60 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.73 3k20 s ILE 44 N -0.93 2.02 -0.34 1.82 1.09 0.90 -4.95 121.20 120.81 3k20 s ILE 44 Ca 0.16 -0.95 -0.18 0.00 -1.10 0.00 0.00 60.65 58.59 3k20 s ILE 44 Cb -0.13 -1.79 -0.01 0.00 -1.06 0.00 0.00 42.46 39.47 3k20 s ILE 44 CO 0.05 0.54 0.49 -1.61 -0.10 0.00 0.00 174.94 174.31 3k20 s GLU 45 N 0.89 3.67 0.49 2.79 0.41 -1.26 -1.07 118.70 124.62 3k20 s GLU 45 Ca -0.06 -0.14 0.13 0.00 -0.41 0.00 0.00 54.97 54.50 3k20 s GLU 45 Cb -0.15 -3.79 1.14 0.00 -1.78 0.00 0.00 34.13 29.56 3k20 s GLU 45 CO -0.03 -0.59 2.12 -0.07 -0.49 0.00 0.00 175.26 176.20 3k20 h LEU 46 N 9.00 0.14 -0.82 1.80 3.38 -1.32 -1.57 115.31 125.93 3k20 h LEU 46 Ca -0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3k20 h LEU 46 Cb 1.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3k20 h LEU 46 CO 0.75 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 177.85 3k20 n SER 47 N -4.52 0.40 -1.13 -0.43 3.41 -1.26 -0.77 113.62 109.32 3k20 n SER 47 Ca -0.01 0.66 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 3k20 n SER 47 Cb 0.08 -0.72 0.23 0.00 -0.26 0.00 0.00 64.21 63.54 3k20 n SER 47 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k20 n GLU 48 N -2.01 2.50 -0.02 4.33 1.02 -0.59 -4.01 120.64 121.85 3k20 n GLU 48 Ca 0.00 -2.31 0.01 0.00 -0.02 0.00 0.00 57.16 54.84 3k20 n GLU 48 Cb 0.08 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 3k20 n GLU 48 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k20 n LEU 49 N 1.42 2.03 0.05 -4.62 4.77 0.05 -4.82 117.00 115.88 3k20 n LEU 49 Ca 0.19 -1.88 -0.14 0.00 -0.03 0.00 0.00 56.01 54.15 3k20 n LEU 49 Cb 0.58 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3k20 n LEU 49 CO 0.15 0.51 0.57 0.40 -1.33 0.00 0.00 177.39 177.68 3k20 h ILE 50 N 0.32 0.12 -0.81 -0.08 2.04 -1.67 -0.31 117.51 117.12 3k20 h ILE 50 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 3k20 h ILE 50 Cb 0.48 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3k20 h ILE 50 CO 0.00 0.00 0.53 1.55 0.00 0.00 0.00 178.15 180.23 3k20 h PRO 51 N -0.59 0.60 -0.24 2.37 0.13 -1.90 -1.18 132.00 131.20 3k20 h PRO 51 Ca 0.04 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.02 3k20 h PRO 51 Cb 0.67 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3k20 h PRO 51 CO -0.33 0.40 -0.35 -0.44 -0.23 0.00 0.00 178.00 177.04 3k20 h ASP 52 N 0.62 0.53 0.00 1.44 5.19 -1.66 -0.34 116.42 122.20 3k20 h ASP 52 Ca 0.39 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3k20 h ASP 52 Cb 0.65 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.01 3k20 h ASP 52 CO -0.15 0.84 0.00 0.18 -3.12 0.00 0.00 179.24 176.99 3k20 n LEU 53 N -4.06 2.26 0.00 1.55 4.32 -0.22 -1.40 117.00 119.46 3k20 n LEU 53 Ca -0.01 -1.13 0.00 0.00 -0.02 0.00 0.00 56.01 54.85 3k20 n LEU 53 Cb 0.48 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 3k20 n LEU 53 CO 0.44 0.38 0.00 0.41 -1.22 0.00 0.00 177.39 177.40 3k20 n THR 55 N 0.59 0.00 -0.13 -5.08 -1.04 -0.14 -4.77 114.28 103.71 3k20 n THR 55 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3k20 n THR 55 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 3k20 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k20 n ALA 56 N 0.00 2.19 0.00 2.41 0.00 -0.49 -1.30 120.51 123.32 3k20 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k20 n ALA 56 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3k20 n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k20 n THR 58 N 1.84 0.00 -3.35 0.00 -2.24 -1.26 -4.45 114.28 104.82 3k20 n THR 58 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3k20 n THR 58 Cb 0.14 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 3k20 n THR 58 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3k20 s THR 59 N 0.00 -0.76 0.65 4.28 2.01 -0.42 -5.02 115.64 116.39 3k20 s THR 59 Ca 0.00 0.00 0.33 0.00 0.31 0.00 0.00 61.69 62.33 3k20 s THR 59 Cb 0.00 -1.00 0.35 0.00 0.01 0.00 0.00 72.50 71.86 3k20 s THR 59 CO 0.00 0.00 2.05 0.08 -0.69 0.00 0.00 174.62 176.06 3k20 h ARG 60 N 7.87 0.00 -6.13 4.92 0.11 -1.85 -3.41 114.38 115.90 3k20 h ARG 60 Ca -0.18 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.34 3k20 h ARG 60 Cb 1.13 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.17 3k20 h ARG 60 CO 0.11 0.00 0.08 0.08 0.10 0.00 0.00 179.97 180.34 3k20 s VAL 61 N -4.22 4.91 0.24 0.08 1.01 -1.26 -5.04 120.40 116.12 3k20 s VAL 61 Ca -0.04 1.45 -0.13 0.00 0.00 0.00 0.00 61.98 63.26 3k20 s VAL 61 Cb 0.11 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 3k20 s VAL 61 CO 0.36 0.33 0.63 -1.00 0.00 0.00 0.00 175.10 175.42 3k20 s HIS 62 N 0.26 3.47 1.11 5.22 3.76 -1.26 -4.62 115.29 123.22 3k20 s HIS 62 Ca 0.36 1.07 -0.13 0.00 -0.15 0.00 0.00 55.06 56.21 3k20 s HIS 62 Cb -0.19 -2.41 0.25 0.00 1.11 0.00 0.00 32.58 31.35 3k20 s HIS 62 CO 0.19 0.25 1.06 0.95 -0.85 0.00 0.00 174.74 176.34 3k20 s THR 63 N -1.77 1.98 0.14 1.30 -4.23 -1.26 -4.75 115.64 107.05 3k20 s THR 63 Ca 0.47 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 3k20 s THR 63 Cb -0.12 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 3k20 s THR 63 CO 0.20 0.00 1.48 0.74 -0.54 0.00 0.00 174.62 176.50 3k20 h THR 64 N -2.35 1.28 -0.90 3.99 2.02 -1.98 -0.91 112.91 114.05 3k20 h THR 64 Ca -0.59 -1.50 0.03 0.00 0.77 0.00 0.00 66.41 65.13 3k20 h THR 64 Cb 1.34 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 3k20 h THR 64 CO 0.54 0.50 0.58 0.50 0.37 0.00 0.00 175.52 178.01 3k20 h LYS 65 N 0.73 1.10 -0.15 6.66 3.64 -2.00 -1.67 116.57 124.88 3k20 h LYS 65 Ca 0.07 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 3k20 h LYS 65 Cb 0.91 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3k20 h LYS 65 CO 0.08 0.73 -0.73 1.25 -2.27 0.00 0.00 179.45 178.52 3k20 h LEU 66 N 1.14 0.89 -1.35 5.20 5.85 -1.88 -2.67 115.31 122.48 3k20 h LEU 66 Ca 0.36 -0.63 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3k20 h LEU 66 Cb -0.00 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3k20 h LEU 66 CO -0.12 1.38 0.44 -0.08 -0.34 0.00 0.00 178.44 179.73 3k20 h GLU 67 N 0.47 0.85 -0.04 1.25 4.57 -0.79 -1.49 114.58 119.41 3k20 h GLU 67 Ca -0.05 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 57.86 3k20 h GLU 67 Cb 1.36 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3k20 h GLU 67 CO 0.15 0.56 -0.87 0.93 -1.18 0.00 0.00 179.01 178.61 3k20 h GLU 68 N 0.88 0.46 -0.29 1.92 5.08 -1.30 -2.64 114.58 118.69 3k20 h GLU 68 Ca 0.25 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3k20 h GLU 68 Cb -0.06 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3k20 h GLU 68 CO -0.06 1.09 -0.07 0.82 -1.00 0.00 0.00 179.01 179.80 3k20 h ILE 69 N 0.28 1.28 -0.19 3.13 2.04 -1.08 -1.30 117.51 121.67 3k20 h ILE 69 Ca -0.07 -1.09 -0.14 0.00 1.00 0.00 0.00 64.86 64.56 3k20 h ILE 69 Cb 1.49 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 3k20 h ILE 69 CO 0.15 0.35 -0.48 0.71 0.00 0.00 0.00 178.15 178.89 3k20 h THR 70 N 0.31 1.32 -0.50 -0.27 1.35 -1.36 -1.50 112.91 112.26 3k20 h THR 70 Ca 0.07 -1.69 -0.05 0.00 -0.55 0.00 0.00 66.41 64.20 3k20 h THR 70 Cb 0.54 1.69 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 3k20 h THR 70 CO 0.03 0.52 0.11 0.28 -0.25 0.00 0.00 175.52 176.21 3k20 h SER 71 N 0.40 0.76 -0.44 5.36 0.02 -1.42 -0.79 113.55 117.43 3k20 h SER 71 Ca 0.02 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3k20 h SER 71 Cb 0.98 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3k20 h SER 71 CO 0.09 0.80 0.22 0.00 -1.14 0.00 0.00 176.83 176.80 3k20 h ALA 72 N 0.99 0.56 0.26 3.77 0.00 -1.14 -2.20 119.26 121.51 3k20 h ALA 72 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3k20 h ALA 72 Cb 0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3k20 h ALA 72 CO 0.00 0.12 -0.52 1.25 0.00 0.00 0.00 179.25 180.10 3k20 h LEU 73 N 0.57 -1.52 -2.01 0.00 5.85 -0.87 -1.46 115.31 115.87 3k20 h LEU 73 Ca 0.15 0.15 0.13 0.00 0.84 0.00 0.00 57.88 59.15 3k20 h LEU 73 Cb 0.10 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3k20 h LEU 73 CO -0.02 -0.60 0.34 0.28 -0.34 0.00 0.00 178.44 178.10 3k20 h SER 74 N -0.85 0.00 1.53 1.25 0.02 -1.06 -0.20 113.55 114.24 3k20 h SER 74 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3k20 h SER 74 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3k20 h SER 74 CO -0.21 0.00 -0.08 0.00 -1.14 0.00 0.00 176.83 175.40 3k20 h ALA 75 N 1.75 0.95 -2.25 3.77 0.00 -0.66 -3.47 119.26 119.35 3k20 h ALA 75 Ca 0.22 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.63 3k20 h ALA 75 Cb 0.91 0.00 0.20 0.00 0.00 0.00 0.00 17.79 18.89 3k20 h ALA 75 CO -0.00 0.00 0.19 -1.12 0.00 0.00 0.00 179.25 178.31 3k20 s SER 76 N -4.92 2.59 -0.08 0.00 0.01 -0.09 -4.97 113.70 106.25 3k20 s SER 76 Ca 0.09 2.04 0.08 0.00 1.31 0.00 0.00 55.95 59.47 3k20 s SER 76 Cb 0.11 -2.51 -0.24 0.00 0.21 0.00 0.00 66.02 63.59 3k20 s SER 76 CO 0.63 -3.29 0.52 0.47 0.41 0.00 0.00 173.24 171.98 3k20 n ASP 77 N -4.34 1.15 -4.07 2.44 8.00 -0.37 -4.98 116.55 114.37 3k20 n ASP 77 Ca 0.10 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 55.83 3k20 n ASP 77 Cb 0.53 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.12 41.34 3k20 n ASP 77 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3k20 s GLY 78 N -5.30 0.65 -0.02 0.44 0.00 -0.85 -4.28 107.32 97.97 3k20 s GLY 78 Ca -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 3k20 s GLY 78 CO 0.81 -1.20 0.06 -2.27 0.00 0.00 0.00 173.10 170.49 3k20 s LEU 79 N -2.98 1.81 -0.07 0.66 2.96 0.19 -1.37 118.68 119.88 3k20 s LEU 79 Ca 0.16 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 3k20 s LEU 79 Cb 0.07 0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.99 3k20 s LEU 79 CO -0.03 -0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.11 3k20 s VAL 80 N -0.22 1.14 -0.06 1.68 1.01 -0.50 -1.01 120.40 122.45 3k20 s VAL 80 Ca -0.03 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3k20 s VAL 80 Cb -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3k20 s VAL 80 CO 0.00 0.36 -0.17 0.68 0.00 0.00 0.00 175.10 175.97 3k20 s VAL 81 N 0.70 1.46 0.01 2.92 -7.23 -0.80 -0.79 120.40 116.66 3k20 s VAL 81 Ca -0.14 -0.71 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 3k20 s VAL 81 Cb -0.16 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 3k20 s VAL 81 CO 0.03 0.42 -0.10 0.00 -0.31 0.00 0.00 175.10 175.15 3k20 s ALA 82 N 0.22 0.80 0.02 1.32 0.00 -0.27 -0.34 121.76 123.52 3k20 s ALA 82 Ca -0.08 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 3k20 s ALA 82 Cb -0.13 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3k20 s ALA 82 CO 0.04 0.17 0.29 -0.08 0.00 0.00 0.00 175.76 176.18 3k20 s THR 83 N -0.44 0.07 0.67 0.00 -1.32 -0.96 -2.38 115.64 111.28 3k20 s THR 83 Ca 0.02 -0.61 -0.11 0.00 -1.21 0.00 0.00 61.69 59.78 3k20 s THR 83 Cb -0.05 -0.79 -0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3k20 s THR 83 CO 0.00 -0.34 1.06 -2.84 -2.21 0.00 0.00 174.62 170.29 3k20 s PRO 84 N -2.03 3.12 -0.38 7.08 0.02 -1.26 -1.76 135.00 139.79 3k20 s PRO 84 Ca -0.09 0.52 -0.11 0.00 0.02 0.00 0.00 61.00 61.34 3k20 s PRO 84 Cb -0.03 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.46 3k20 s PRO 84 CO -0.00 -0.85 0.21 0.08 -0.33 0.00 0.00 177.00 176.12 3k20 s VAL 85 N -3.27 4.55 -0.11 3.83 1.01 -1.10 -3.88 120.40 121.44 3k20 s VAL 85 Ca 0.57 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3k20 s VAL 85 Cb -0.11 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3k20 s VAL 85 CO 0.52 -0.26 -0.07 -0.36 0.00 0.00 0.00 175.10 174.92 3k20 s PHE 86 N 1.54 2.93 -1.46 5.22 0.08 -0.30 -4.62 117.98 121.37 3k20 s PHE 86 Ca 0.02 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.78 3k20 s PHE 86 Cb -0.19 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 3k20 s PHE 86 CO 0.06 0.07 0.47 1.63 -0.10 0.00 0.00 175.22 177.35 3k20 n LYS 87 N 3.01 -3.25 -2.74 0.44 4.76 -1.26 -1.89 118.16 117.23 3k20 n LYS 87 Ca -0.18 0.39 -0.21 0.00 -2.87 0.00 0.00 58.31 55.44 3k20 n LYS 87 Cb 0.53 -4.60 0.01 0.00 -1.84 0.00 0.00 35.03 29.12 3k20 n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k20 n ALA 88 N -4.41 -0.82 -3.17 7.82 0.00 -1.26 -4.94 120.51 113.73 3k20 n ALA 88 Ca -0.24 0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.43 3k20 n ALA 88 Cb 0.65 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.09 3k20 n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k20 n SER 89 N -2.26 -0.29 -4.74 0.00 2.88 -0.79 -4.93 113.62 103.48 3k20 n SER 89 Ca -0.17 -1.14 -0.30 0.00 -1.33 0.00 0.00 58.87 55.93 3k20 n SER 89 Cb 0.65 0.47 0.12 0.00 -0.75 0.00 0.00 64.21 64.69 3k20 n SER 89 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3k20 s TYR 90 N -4.73 2.47 0.34 0.66 -0.85 -1.26 -1.15 117.35 112.83 3k20 s TYR 90 Ca 0.04 1.31 -0.27 0.00 -0.52 0.00 0.00 57.07 57.64 3k20 s TYR 90 Cb -0.00 -3.12 -0.09 0.00 0.38 0.00 0.00 41.96 39.12 3k20 s TYR 90 CO 0.01 -2.14 1.11 0.99 -1.52 0.00 0.00 175.55 174.00 3k20 s THR 91 N -2.96 3.42 0.26 -3.49 2.01 -1.25 -4.60 115.64 109.02 3k20 s THR 91 Ca 0.62 1.27 -0.03 0.00 0.31 0.00 0.00 61.69 63.86 3k20 s THR 91 Cb -0.17 -3.75 0.24 0.00 0.01 0.00 0.00 72.50 68.83 3k20 s THR 91 CO 0.56 0.19 1.86 1.23 -0.69 0.00 0.00 174.62 177.77 3k20 h GLY 92 N 3.14 1.42 1.11 4.40 0.00 -1.94 -0.70 103.07 110.50 3k20 h GLY 92 Ca -0.48 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.40 3k20 h GLY 92 CO 0.64 0.27 0.37 -2.00 0.00 0.00 0.00 176.54 175.82 3k20 h LEU 93 N 1.04 1.04 0.66 3.11 5.85 -1.96 -2.88 115.31 122.17 3k20 h LEU 93 Ca 0.41 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 3k20 h LEU 93 Cb 0.22 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3k20 h LEU 93 CO -0.19 0.89 -0.34 0.15 -0.34 0.00 0.00 178.44 178.61 3k20 h PHE 94 N 1.13 -0.89 0.00 1.25 3.57 -1.54 -2.34 116.94 118.13 3k20 h PHE 94 Ca 0.27 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3k20 h PHE 94 Cb 0.13 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3k20 h PHE 94 CO 0.01 -0.54 0.00 1.17 -2.23 0.00 0.00 178.31 176.73 3k20 n LYS 95 N -5.49 0.00 0.00 1.11 3.00 -0.41 -2.98 118.16 113.39 3k20 n LYS 95 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 3k20 n LYS 95 Cb 0.38 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.18 3k20 n LYS 95 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3k20 n PHE 97 N 0.84 0.00 0.10 5.64 7.35 -0.88 -0.35 117.46 130.17 3k20 n PHE 97 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 3k20 n PHE 97 Cb 0.00 0.00 0.20 0.00 0.35 0.00 0.00 39.48 40.03 3k20 n PHE 97 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3k20 h PHE 98 N 0.00 0.24 -0.95 -5.13 0.04 -1.83 -2.88 116.94 106.42 3k20 h PHE 98 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3k20 h PHE 98 Cb 0.00 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.05 3k20 h PHE 98 CO 0.00 0.64 0.60 -0.44 -0.60 0.00 0.00 178.31 178.50 3k20 h ASP 99 N 0.16 1.13 0.51 2.17 3.32 -0.99 -2.20 116.42 120.51 3k20 h ASP 99 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3k20 h ASP 99 Cb 0.90 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3k20 h ASP 99 CO 0.07 0.85 0.00 -0.38 -1.72 0.00 0.00 179.24 178.06 3k20 n ILE 100 N -4.36 0.92 -2.71 0.35 -0.00 -1.09 -4.82 119.36 107.64 3k20 n ILE 100 Ca 0.11 0.38 -0.33 0.00 -0.00 0.00 0.00 62.75 62.91 3k20 n ILE 100 Cb 0.04 -1.32 -0.06 0.00 -0.00 0.00 0.00 39.64 38.30 3k20 n ILE 100 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3k20 s LEU 101 N -4.41 3.86 0.60 1.39 1.43 -0.83 -5.03 118.68 115.68 3k20 s LEU 101 Ca 0.02 1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 54.58 3k20 s LEU 101 Cb 0.08 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 3k20 s LEU 101 CO 0.33 -0.42 1.15 -1.81 0.23 0.00 0.00 176.35 175.83 3k20 s ASP 102 N -2.44 5.33 0.27 2.29 1.01 -1.26 -4.91 116.67 116.96 3k20 s ASP 102 Ca 0.61 2.20 0.01 0.00 0.71 0.00 0.00 52.55 56.07 3k20 s ASP 102 Cb -0.09 -2.58 0.63 0.00 1.01 0.00 0.00 42.92 41.89 3k20 s ASP 102 CO 0.18 -1.49 1.71 0.74 0.21 0.00 0.00 175.17 176.52 3k20 h THR 103 N 0.72 0.53 -0.48 -1.27 2.02 -1.96 -1.06 112.91 111.41 3k20 h THR 103 Ca -0.49 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3k20 h THR 103 Cb 1.27 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3k20 h THR 103 CO 0.55 0.08 0.00 -0.90 0.37 0.00 0.00 175.52 175.62 3k20 n ASP 104 N -5.04 3.94 0.09 4.18 5.75 -1.26 -4.55 116.55 119.66 3k20 n ASP 104 Ca 0.19 -2.42 0.11 0.00 -0.01 0.00 0.00 54.79 52.66 3k20 n ASP 104 Cb 0.57 -0.53 0.59 0.00 -1.03 0.00 0.00 41.12 40.71 3k20 n ASP 104 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k20 h ALA 105 N 3.72 2.07 0.00 2.12 0.00 -1.54 -3.09 119.26 122.53 3k20 h ALA 105 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k20 h ALA 105 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3k20 h ALA 105 CO 0.22 -0.14 -0.02 1.28 0.00 0.00 0.00 179.25 180.60 3k20 n LEU 106 N -4.48 1.93 -4.66 0.00 4.77 -1.26 -4.39 117.00 108.91 3k20 n LEU 106 Ca 0.03 -2.22 -0.53 0.00 -0.03 0.00 0.00 56.01 53.27 3k20 n LEU 106 Cb 0.26 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3k20 n LEU 106 CO 0.35 0.53 1.17 0.41 -1.33 0.00 0.00 177.39 178.53 3k20 n THR 107 N -0.78 0.19 -1.55 -5.08 -1.04 -1.17 -3.80 114.28 101.05 3k20 n THR 107 Ca 0.06 -0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 3k20 n THR 107 Cb 0.42 -1.20 -0.01 0.00 -1.82 0.00 0.00 70.33 67.72 3k20 n THR 107 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k20 n GLY 108 N 3.51 -3.34 3.02 3.41 0.00 0.46 -4.91 105.19 107.33 3k20 n GLY 108 Ca 0.22 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3k20 n GLY 108 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k20 s PRO 110 N -1.19 1.45 -0.04 1.61 0.02 -1.26 -4.31 135.00 131.29 3k20 s PRO 110 Ca -0.04 -0.39 -0.09 0.00 0.02 0.00 0.00 61.00 60.50 3k20 s PRO 110 Cb 0.00 -1.25 0.01 0.00 0.02 0.00 0.00 34.50 33.29 3k20 s PRO 110 CO 0.10 0.07 0.21 0.99 -0.33 0.00 0.00 177.00 178.04 3k20 s THR 111 N 0.47 0.04 -0.16 0.99 2.01 -0.17 -0.63 115.64 118.19 3k20 s THR 111 Ca -0.10 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 3k20 s THR 111 Cb -0.13 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 3k20 s THR 111 CO 0.02 -0.20 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.00 3k20 s ILE 112 N -0.75 2.92 -0.15 1.82 1.01 -0.18 -1.05 121.20 124.83 3k20 s ILE 112 Ca -0.08 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 3k20 s ILE 112 Cb -0.05 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 3k20 s ILE 112 CO 0.02 0.50 0.17 0.27 0.00 0.00 0.00 174.94 175.90 3k20 s ILE 113 N 0.80 5.42 0.05 2.92 -4.36 -1.26 -1.91 121.20 122.86 3k20 s ILE 113 Ca -0.04 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.63 3k20 s ILE 113 Cb -0.15 -3.47 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 3k20 s ILE 113 CO 0.01 0.52 -0.04 0.00 0.24 0.00 0.00 174.94 175.67 3k20 s ALA 114 N -0.34 0.48 0.02 2.27 0.00 0.54 -1.25 121.76 123.49 3k20 s ALA 114 Ca 0.13 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 3k20 s ALA 114 Cb -0.12 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.23 3k20 s ALA 114 CO 0.02 -0.22 0.52 0.00 0.00 0.00 0.00 175.76 176.08 3k20 s ALA 115 N -2.67 -1.33 0.08 0.00 0.00 -0.31 -2.27 121.76 115.26 3k20 s ALA 115 Ca -0.02 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.65 3k20 s ALA 115 Cb -0.01 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3k20 s ALA 115 CO -0.05 -0.45 -0.11 -0.08 0.00 0.00 0.00 175.76 175.07 3k20 s THR 116 N -2.12 0.93 0.09 0.00 -1.32 -0.72 -0.46 115.64 112.05 3k20 s THR 116 Ca -0.07 -1.47 -0.27 0.00 -1.21 0.00 0.00 61.69 58.67 3k20 s THR 116 Cb -0.01 -1.17 0.09 0.00 -1.51 0.00 0.00 72.50 69.90 3k20 s THR 116 CO 0.01 -0.44 1.09 0.00 -2.21 0.00 0.00 174.62 173.07 3k20 s ALA 117 N -1.96 -1.89 0.00 11.08 0.00 -0.56 -2.70 121.76 125.74 3k20 s ALA 117 Ca 0.01 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3k20 s ALA 117 Cb -0.06 0.54 -0.00 0.00 0.00 0.00 0.00 23.12 23.59 3k20 s ALA 117 CO 0.01 -1.05 1.01 0.78 0.00 0.00 0.00 175.76 176.51 3k20 h GLY 118 N 2.00 -0.03 -1.03 0.00 0.00 -1.93 0.57 103.07 102.65 3k20 h GLY 118 Ca -0.27 0.01 -0.36 0.00 0.00 0.00 0.00 47.33 46.72 3k20 h GLY 118 CO 0.27 -0.01 0.09 -1.14 0.00 0.00 0.00 176.54 175.75 3k20 n SER 119 N -2.07 1.04 -0.92 0.19 3.41 -1.26 -1.53 113.62 112.47 3k20 n SER 119 Ca -0.00 -1.88 0.08 0.00 -0.26 0.00 0.00 58.87 56.81 3k20 n SER 119 Cb 0.01 -0.50 0.21 0.00 -0.26 0.00 0.00 64.21 63.67 3k20 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k20 n ALA 120 N -2.93 2.28 0.29 7.33 0.00 -1.26 -4.57 120.51 121.65 3k20 n ALA 120 Ca -0.13 -1.16 0.17 0.00 0.00 0.00 0.00 53.44 52.32 3k20 n ALA 120 Cb 0.46 -0.64 0.80 0.00 0.00 0.00 0.00 19.45 20.07 3k20 n ALA 120 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3k20 h ARG 121 N 3.04 0.00 -0.29 0.00 0.11 -1.99 -2.02 114.38 113.22 3k20 h ARG 121 Ca 0.00 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 3k20 h ARG 121 Cb 0.83 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.87 3k20 h ARG 121 CO 0.00 0.00 -0.01 0.72 0.10 0.00 0.00 179.97 180.78 3k20 n HIS 122 N -2.72 0.99 0.25 4.08 8.25 -1.26 -4.66 115.22 120.16 3k20 n HIS 122 Ca -0.01 -1.12 0.12 0.00 -0.26 0.00 0.00 57.72 56.45 3k20 n HIS 122 Cb 0.15 -0.38 0.65 0.00 1.12 0.00 0.00 29.99 31.53 3k20 n HIS 122 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3k20 h SER 123 N 1.46 0.00 0.15 0.41 4.64 -1.68 -2.50 113.55 116.03 3k20 h SER 123 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3k20 h SER 123 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3k20 h SER 123 CO 0.28 0.15 0.00 0.18 -0.87 0.00 0.00 176.83 176.57 3k20 n LEU 124 N -3.50 0.00 0.27 5.97 4.77 -1.26 -2.02 117.00 121.22 3k20 n LEU 124 Ca -0.01 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.30 3k20 n LEU 124 Cb 0.30 -0.20 0.76 0.00 -2.33 0.00 0.00 43.42 41.94 3k20 n LEU 124 CO 0.31 -0.13 1.02 1.62 -1.33 0.00 0.00 177.39 178.88 3k20 h VAL 125 N 0.00 0.66 -0.48 4.08 3.04 -1.80 -1.13 116.25 120.61 3k20 h VAL 125 Ca 0.00 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 3k20 h VAL 125 Cb 0.08 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 3k20 h VAL 125 CO 0.00 0.08 0.22 -0.07 -1.01 0.00 0.00 177.57 176.79 3k20 h LEU 126 N 0.00 0.64 0.00 3.16 3.38 -1.66 -0.45 115.31 120.38 3k20 h LEU 126 Ca -0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3k20 h LEU 126 Cb 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3k20 h LEU 126 CO 0.01 0.61 -1.26 0.47 0.09 0.00 0.00 178.44 178.36 3k20 n ASP 127 N -4.60 0.77 -0.84 -0.43 8.00 -0.96 -0.86 116.55 117.62 3k20 n ASP 127 Ca 0.01 0.31 0.10 0.00 0.71 0.00 0.00 54.79 55.93 3k20 n ASP 127 Cb 0.13 0.49 0.11 0.00 -0.02 0.00 0.00 41.12 41.82 3k20 n ASP 127 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k20 n TYR 128 N -2.72 0.10 0.07 1.24 4.01 -0.47 -4.23 117.16 115.17 3k20 n TYR 128 Ca -0.04 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3k20 n TYR 128 Cb 0.67 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 3k20 n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k20 n ALA 129 N 1.15 3.00 -0.07 -0.72 0.00 -0.22 -4.83 120.51 118.82 3k20 n ALA 129 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 3k20 n ALA 129 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 3k20 n ALA 129 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k20 h LEU 130 N 0.00 0.90 -0.00 0.00 4.07 -1.50 -2.79 115.31 115.98 3k20 h LEU 130 Ca 0.00 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.50 3k20 h LEU 130 Cb 0.00 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.48 3k20 h LEU 130 CO 0.00 1.24 0.00 -0.09 -1.08 0.00 0.00 178.44 178.51 3k20 h ARG 131 N 0.64 0.00 -0.60 1.13 2.43 -1.22 -0.90 114.38 115.86 3k20 h ARG 131 Ca 0.02 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3k20 h ARG 131 Cb 1.10 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3k20 h ARG 131 CO 0.11 0.18 0.40 -1.35 -1.51 0.00 0.00 179.97 177.79 3k20 h PRO 132 N -0.17 0.71 0.48 0.20 0.11 -1.73 -0.17 132.00 131.43 3k20 h PRO 132 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3k20 h PRO 132 Cb 0.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3k20 h PRO 132 CO -0.00 0.47 -0.23 1.25 -0.21 0.00 0.00 178.00 179.28 3k20 h LEU 133 N 0.73 -0.55 -1.50 2.35 5.85 -1.15 0.12 115.31 121.16 3k20 h LEU 133 Ca 0.24 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 3k20 h LEU 133 Cb 0.04 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3k20 h LEU 133 CO -0.06 -0.23 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.48 3k20 h LEU 134 N -0.89 0.00 -0.25 2.25 -0.00 -1.09 -2.46 115.31 112.88 3k20 h LEU 134 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.67 3k20 h LEU 134 Cb 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3k20 h LEU 134 CO 0.11 0.26 -0.41 0.28 -0.00 0.00 0.00 178.44 178.68 3k20 h SER 135 N 0.00 0.79 0.00 -0.43 0.02 -0.94 -0.43 113.55 112.55 3k20 h SER 135 Ca -0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3k20 h SER 135 Cb 0.50 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3k20 h SER 135 CO 0.03 1.16 0.00 0.00 -1.14 0.00 0.00 176.83 176.88 3k20 n TYR 136 N -4.19 0.00 -2.16 3.45 9.36 0.42 -4.29 117.16 119.75 3k20 n TYR 136 Ca -0.05 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.17 3k20 n TYR 136 Cb 0.54 -0.18 -0.01 0.00 -0.63 0.00 0.00 39.34 39.07 3k20 n TYR 136 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3k20 n ARG 138 N 1.56 0.00 -2.72 2.98 1.74 -1.13 -5.11 116.66 113.98 3k20 n ARG 138 Ca 0.00 -1.14 -0.32 0.00 -0.77 0.00 0.00 57.85 55.62 3k20 n ARG 138 Cb 0.00 -0.05 -0.05 0.00 -1.02 0.00 0.00 32.46 31.34 3k20 n ARG 138 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k20 s ALA 139 N 0.00 3.15 -0.52 7.54 0.00 -0.19 -0.41 121.76 131.34 3k20 s ALA 139 Ca 0.11 0.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 3k20 s ALA 139 Cb 0.12 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.34 3k20 s ALA 139 CO -0.05 0.00 0.56 0.54 0.00 0.00 0.00 175.76 176.81 3k20 s VAL 140 N -2.35 5.03 -0.26 0.00 0.11 -1.26 -4.50 120.40 117.17 3k20 s VAL 140 Ca 0.58 -0.97 -0.25 0.00 -2.93 0.00 0.00 61.98 58.41 3k20 s VAL 140 Cb -0.10 -4.31 -0.00 0.00 -1.53 0.00 0.00 36.38 30.45 3k20 s VAL 140 CO 0.24 -0.83 0.84 -0.69 -3.33 0.00 0.00 175.10 171.33 3k20 s VAL 141 N 2.17 4.80 0.64 2.04 1.01 -1.26 -1.00 120.40 128.81 3k20 s VAL 141 Ca 0.09 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 3k20 s VAL 141 Cb -0.24 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3k20 s VAL 141 CO 0.07 -0.15 1.30 0.68 0.00 0.00 0.00 175.10 177.01 3k20 s VAL 142 N 2.94 2.00 0.23 2.92 -7.23 -0.21 -4.91 120.40 116.13 3k20 s VAL 142 Ca 0.35 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.45 3k20 s VAL 142 Cb -0.15 -3.00 0.18 0.00 0.56 0.00 0.00 36.38 33.97 3k20 s VAL 142 CO 0.09 -0.00 1.77 -0.65 -0.31 0.00 0.00 175.10 176.00 3k20 h PRO 143 N 0.58 0.56 -6.36 4.82 0.11 -1.96 -3.39 132.00 126.36 3k20 h PRO 143 Ca -0.51 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.03 3k20 h PRO 143 Cb 1.34 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3k20 h PRO 143 CO 0.53 0.37 1.10 0.99 -0.21 0.00 0.00 178.00 180.78 3k20 s THR 144 N -6.06 3.74 0.31 -1.15 2.01 -1.26 -4.98 115.64 108.26 3k20 s THR 144 Ca -0.13 0.55 -0.10 0.00 0.31 0.00 0.00 61.69 62.33 3k20 s THR 144 Cb 0.18 -4.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.01 3k20 s THR 144 CO 0.76 -1.43 0.65 -0.83 -0.69 0.00 0.00 174.62 173.08 3k20 s GLY 145 N 4.37 2.09 -0.23 4.40 0.00 -1.26 -4.71 107.32 111.98 3k20 s GLY 145 Ca 0.46 -0.25 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 3k20 s GLY 145 CO 0.21 -0.09 -0.06 0.14 0.00 0.00 0.00 173.10 173.29 3k20 s VAL 146 N -2.08 3.09 -0.30 1.40 1.01 -0.38 -5.03 120.40 118.12 3k20 s VAL 146 Ca 0.49 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3k20 s VAL 146 Cb -0.11 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.89 3k20 s VAL 146 CO 0.25 0.34 -0.04 0.12 0.00 0.00 0.00 175.10 175.78 3k20 s PHE 147 N 1.41 3.46 -0.46 5.22 5.36 -1.26 -1.17 117.98 130.54 3k20 s PHE 147 Ca 0.04 -2.55 -0.26 0.00 -0.96 0.00 0.00 56.93 53.19 3k20 s PHE 147 Cb -0.15 -2.35 0.03 0.00 -0.34 0.00 0.00 43.02 40.21 3k20 s PHE 147 CO -0.04 -0.90 0.96 0.00 -1.46 0.00 0.00 175.22 173.77 3k20 s ALA 148 N 1.04 3.22 -0.53 11.12 0.00 0.40 -4.98 121.76 132.03 3k20 s ALA 148 Ca -0.01 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 3k20 s ALA 148 Cb -0.20 -3.68 0.10 0.00 0.00 0.00 0.00 23.12 19.35 3k20 s ALA 148 CO -0.06 -2.09 0.51 0.00 0.00 0.00 0.00 175.76 174.13 3k20 s ALA 149 N 3.85 3.57 0.27 0.00 0.00 -1.26 -1.50 121.76 126.70 3k20 s ALA 149 Ca 0.39 -2.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.02 3k20 s ALA 149 Cb -0.10 -3.26 0.60 0.00 0.00 0.00 0.00 23.12 20.36 3k20 s ALA 149 CO 0.27 -1.99 1.63 1.15 0.00 0.00 0.00 175.76 176.83 3k20 h THR 150 N 5.85 0.29 0.00 0.00 2.02 -0.21 0.35 112.91 121.21 3k20 h THR 150 Ca -0.29 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3k20 h THR 150 Cb 1.10 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3k20 h THR 150 CO 1.00 0.03 0.00 -0.33 0.37 0.00 0.00 175.52 176.58 3k20 h GLU 151 N 0.14 0.00 -0.61 6.66 5.08 -1.51 -2.88 114.58 121.46 3k20 h GLU 151 Ca 0.50 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.73 3k20 h GLU 151 Cb 0.96 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.13 3k20 h GLU 151 CO -0.69 0.00 0.14 -0.25 -1.00 0.00 0.00 179.01 177.21 3k20 n ASP 152 N -3.06 4.83 -4.85 1.42 8.00 0.12 -4.99 116.55 118.03 3k20 n ASP 152 Ca -0.03 -3.15 -0.32 0.00 0.71 0.00 0.00 54.79 52.01 3k20 n ASP 152 Cb 0.09 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.45 3k20 n ASP 152 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3k20 s PHE 153 N -2.93 3.43 0.00 1.24 0.08 -1.09 -3.48 117.98 115.23 3k20 s PHE 153 Ca 0.53 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.87 3k20 s PHE 153 Cb 0.42 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 3k20 s PHE 153 CO 0.13 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 3k20 n GLY 154 N -1.21 -2.01 7.00 4.36 0.00 -1.26 -4.71 105.19 107.37 3k20 n GLY 154 Ca 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3k20 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k20 n GLY 155 N -1.41 -1.27 0.23 -0.02 0.00 -1.26 -1.95 105.19 99.50 3k20 n GLY 155 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.82 3k20 n GLY 155 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k20 h PRO 156 N 0.00 0.26 0.43 1.61 0.11 -1.97 -1.35 132.00 131.09 3k20 h PRO 156 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3k20 h PRO 156 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3k20 h PRO 156 CO 0.00 0.17 -0.42 0.93 -0.21 0.00 0.00 178.00 178.47 3k20 h GLU 157 N 0.27 -0.84 -0.91 1.05 5.08 -1.87 0.70 114.58 118.06 3k20 h GLU 157 Ca 0.31 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.88 3k20 h GLU 157 Cb 0.46 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 3k20 h GLU 157 CO -0.39 -0.56 0.51 0.78 -1.00 0.00 0.00 179.01 178.35 3k20 h GLY 158 N -0.87 1.51 1.94 -3.84 0.00 -0.96 0.24 103.07 101.10 3k20 h GLY 158 Ca -0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 3k20 h GLY 158 CO -0.06 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 175.92 3k20 h ALA 159 N 1.57 1.03 0.00 3.60 0.00 -0.95 -1.10 119.26 123.41 3k20 h ALA 159 Ca 0.49 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3k20 h ALA 159 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3k20 h ALA 159 CO -0.34 0.70 -0.76 1.49 0.00 0.00 0.00 179.25 180.35 3k20 h GLU 160 N 0.04 0.00 -0.05 0.00 4.22 0.77 -2.65 114.58 116.92 3k20 h GLU 160 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 3k20 h GLU 160 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3k20 h GLU 160 CO 0.08 0.76 -0.05 0.35 -2.18 0.00 0.00 179.01 177.96 3k20 h PHE 161 N 0.00 0.14 -0.04 0.92 3.57 -0.15 -1.83 116.94 119.55 3k20 h PHE 161 Ca -0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3k20 h PHE 161 Cb 1.37 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 3k20 h PHE 161 CO 0.00 0.59 0.03 -0.91 -2.23 0.00 0.00 178.31 175.79 3k20 h ASN 162 N -0.35 0.05 -0.59 0.41 2.35 -1.23 0.16 115.58 116.38 3k20 h ASN 162 Ca 0.01 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 3k20 h ASN 162 Cb 0.57 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3k20 h ASN 162 CO 0.01 0.04 0.04 0.50 -1.65 0.00 0.00 177.43 176.37 3k20 h LYS 163 N 0.06 1.04 -0.34 0.81 1.63 -1.24 -2.19 116.57 116.35 3k20 h LYS 163 Ca 0.02 -0.30 -0.06 0.00 -0.85 0.00 0.00 60.65 59.46 3k20 h LYS 163 Cb -0.01 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3k20 h LYS 163 CO -0.00 0.99 -0.03 -0.09 -3.45 0.00 0.00 179.45 176.86 3k20 h ARG 164 N 0.96 0.62 -0.94 1.90 2.43 0.11 -1.81 114.38 117.66 3k20 h ARG 164 Ca 0.18 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3k20 h ARG 164 Cb 0.49 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 3k20 h ARG 164 CO 0.02 0.76 0.62 0.82 -1.51 0.00 0.00 179.97 180.68 3k20 h ILE 165 N 0.42 1.20 -0.60 1.20 2.04 -0.98 0.14 117.51 120.92 3k20 h ILE 165 Ca 0.09 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3k20 h ILE 165 Cb 0.50 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3k20 h ILE 165 CO 0.02 0.22 0.06 0.00 0.00 0.00 0.00 178.15 178.46 3k20 h ALA 166 N 1.44 0.80 -0.26 1.87 0.00 -1.20 0.13 119.26 122.03 3k20 h ALA 166 Ca 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k20 h ALA 166 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3k20 h ALA 166 CO -0.10 0.59 0.14 -0.09 0.00 0.00 0.00 179.25 179.79 3k20 h ARG 167 N 0.92 0.37 -0.80 0.00 2.43 -0.32 0.11 114.38 117.10 3k20 h ARG 167 Ca 0.18 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3k20 h ARG 167 Cb 0.48 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3k20 h ARG 167 CO 0.02 0.34 0.40 0.00 -1.51 0.00 0.00 179.97 179.22 3k20 h ALA 168 N 1.01 1.03 -0.71 2.80 0.00 -0.60 -2.09 119.26 120.70 3k20 h ALA 168 Ca 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3k20 h ALA 168 Cb 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3k20 h ALA 168 CO -0.01 0.58 0.47 0.00 0.00 0.00 0.00 179.25 180.28 3k20 h ALA 169 N 1.21 0.90 -0.43 0.00 0.00 -0.12 -2.31 119.26 118.51 3k20 h ALA 169 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3k20 h ALA 169 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3k20 h ALA 169 CO -0.04 0.32 0.21 0.78 0.00 0.00 0.00 179.25 180.52 3k20 h GLY 170 N 0.96 0.66 0.54 0.00 0.00 -0.33 0.22 103.07 105.13 3k20 h GLY 170 Ca 0.26 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.32 3k20 h GLY 170 CO -0.06 0.31 0.02 0.83 0.00 0.00 0.00 176.54 177.65 3k20 h GLU 171 N 0.55 0.12 -0.04 4.80 5.08 -1.11 0.73 114.58 124.72 3k20 h GLU 171 Ca 0.15 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3k20 h GLU 171 Cb 0.12 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3k20 h GLU 171 CO -0.02 0.08 0.01 1.25 -1.00 0.00 0.00 179.01 179.33 3k20 h LEU 172 N 0.12 0.06 -0.87 1.33 5.85 -1.18 -2.64 115.31 117.99 3k20 h LEU 172 Ca 0.15 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.75 3k20 h LEU 172 Cb 0.19 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 3k20 h LEU 172 CO -0.24 0.30 0.48 0.00 -0.34 0.00 0.00 178.44 178.65 3k20 h ALA 173 N 0.76 1.30 -0.69 1.25 0.00 -0.18 0.17 119.26 121.88 3k20 h ALA 173 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3k20 h ALA 173 Cb 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3k20 h ALA 173 CO 0.00 0.02 0.39 0.77 0.00 0.00 0.00 179.25 180.42 3k20 h SER 174 N 0.73 0.85 -0.13 0.00 0.02 -0.71 -1.65 113.55 112.67 3k20 h SER 174 Ca 0.45 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 3k20 h SER 174 Cb 0.55 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3k20 h SER 174 CO -0.31 0.69 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.66 3k20 h LEU 175 N 0.94 0.65 -0.21 5.07 4.07 -0.81 -2.94 115.31 122.08 3k20 h LEU 175 Ca 0.24 -0.27 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 3k20 h LEU 175 Cb 0.02 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3k20 h LEU 175 CO -0.04 0.94 -0.03 0.40 -1.08 0.00 0.00 178.44 178.62 3k20 h ILE 176 N 0.53 1.28 0.00 1.22 2.04 -0.21 -2.92 117.51 119.44 3k20 h ILE 176 Ca 0.06 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3k20 h ILE 176 Cb 0.83 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3k20 h ILE 176 CO 0.07 0.30 0.00 1.33 0.00 0.00 0.00 178.15 179.85 3k20 n VAL 177 N -4.63 0.18 0.09 1.67 0.24 -0.67 -3.02 118.33 112.19 3k20 n VAL 177 Ca -0.04 0.04 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 3k20 n VAL 177 Cb 0.27 -0.62 -0.14 0.00 -1.47 0.00 0.00 33.84 31.88 3k20 n VAL 177 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3k20 h GLU 178 N 0.00 0.24 -6.58 7.34 4.81 -1.32 -3.45 114.58 115.62 3k20 h GLU 178 Ca 0.00 -0.41 -0.53 0.00 -0.13 0.00 0.00 59.36 58.29 3k20 h GLU 178 Cb 0.25 0.15 0.03 0.00 0.63 0.00 0.00 28.75 29.82 3k20 h GLU 178 CO 0.00 1.18 0.80 -1.21 -0.73 0.00 0.00 179.01 179.05 3k20 s GLU 179 N -2.65 4.27 0.00 1.92 2.02 -1.17 -5.11 118.70 117.97 3k20 s GLU 179 Ca -0.04 2.22 0.21 0.00 0.02 0.00 0.00 54.97 57.38 3k20 s GLU 179 Cb 0.07 -3.20 0.17 0.00 0.10 0.00 0.00 34.13 31.27 3k20 s GLU 179 CO 0.87 -0.52 1.17 0.45 0.02 0.00 0.00 175.26 177.25