#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5k s MET 4 N 0.00 0.45 0.13 1.57 1.00 -1.26 -5.09 119.30 116.11 3g5k s MET 4 Ca 0.00 1.38 -0.01 0.00 0.00 0.00 0.00 55.69 57.06 3g5k s MET 4 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 34.83 33.11 3g5k s MET 4 CO 0.00 -2.96 0.05 0.45 0.00 0.00 0.00 175.02 172.55 3g5k s SER 5 N -2.60 0.40 -0.00 3.03 0.15 -1.26 -5.16 113.70 108.26 3g5k s SER 5 Ca 0.67 -1.19 -0.00 0.00 0.70 0.00 0.00 55.95 56.13 3g5k s SER 5 Cb -0.24 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 3g5k s SER 5 CO 0.60 -0.71 0.09 -0.36 1.20 0.00 0.00 173.24 174.06 3g5k s PHE 6 N -4.01 3.30 0.12 3.44 0.40 -1.26 -5.11 117.98 114.87 3g5k s PHE 6 Ca 0.23 0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.83 3g5k s PHE 6 Cb 0.07 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 3g5k s PHE 6 CO 0.01 0.56 -0.15 -1.12 0.70 0.00 0.00 175.22 175.22 3g5k s SER 7 N -1.78 2.09 0.02 1.36 0.01 -1.26 -5.16 113.70 108.98 3g5k s SER 7 Ca 0.23 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.71 3g5k s SER 7 Cb -0.12 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 3g5k s SER 7 CO 0.15 -0.12 -0.05 -1.38 0.41 0.00 0.00 173.24 172.25 3g5k s HIS 8 N -2.04 0.43 -0.24 2.43 -3.43 -1.26 -5.11 115.29 106.06 3g5k s HIS 8 Ca 0.09 -0.31 -0.20 0.00 -0.80 0.00 0.00 55.06 53.84 3g5k s HIS 8 Cb -0.05 -0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 30.81 3g5k s HIS 8 CO 0.03 -0.07 0.63 0.08 -2.00 0.00 0.00 174.74 173.41 3g5k s VAL 9 N -0.81 5.00 0.49 -5.38 1.01 -1.26 -4.55 120.40 114.89 3g5k s VAL 9 Ca -0.06 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.82 3g5k s VAL 9 Cb -0.06 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3g5k s VAL 9 CO -0.00 0.05 1.37 0.00 0.00 0.00 0.00 175.10 176.52 3g5k s GLN 11 N -2.66 2.47 0.21 0.00 -1.52 -1.26 -4.35 119.66 112.56 3g5k s GLN 11 Ca 0.66 -1.24 -0.32 0.00 -1.95 0.00 0.00 55.36 52.50 3g5k s GLN 11 Cb -0.41 -2.31 -0.13 0.00 -0.22 0.00 0.00 33.01 29.94 3g5k s GLN 11 CO 0.51 0.40 1.56 1.55 -0.25 0.00 0.00 175.29 179.06 3g5k n VAL 12 N -0.74 0.41 0.00 1.09 3.14 -0.13 -1.67 118.33 120.43 3g5k n VAL 12 Ca -0.08 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 3g5k n VAL 12 Cb 0.58 -1.67 0.00 0.00 -1.06 0.00 0.00 33.84 31.68 3g5k n VAL 12 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g5k n GLY 13 N 2.99 2.07 3.69 7.55 0.00 -1.26 -5.08 105.19 115.15 3g5k n GLY 13 Ca 0.14 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3g5k n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g5k s ASP 14 N -0.38 6.84 0.46 1.61 -1.08 -0.67 -4.88 116.67 118.57 3g5k s ASP 14 Ca 0.00 2.11 0.32 0.00 -0.52 0.00 0.00 52.55 54.45 3g5k s ASP 14 Cb 0.00 -2.56 1.48 0.00 -1.46 0.00 0.00 42.92 40.38 3g5k s ASP 14 CO 0.00 -0.73 1.95 1.55 0.52 0.00 0.00 175.17 178.46 3g5k h PRO 15 N 7.91 0.00 0.00 4.34 0.13 -1.98 -1.70 132.00 140.70 3g5k h PRO 15 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3g5k h PRO 15 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3g5k h PRO 15 CO 0.91 0.00 -0.02 -0.24 -0.23 0.00 0.00 178.00 178.42 3g5k h VAL 16 N 0.00 0.52 -0.00 1.56 3.04 -1.92 -0.66 116.25 118.79 3g5k h VAL 16 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3g5k h VAL 16 Cb 0.27 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 3g5k h VAL 16 CO 0.00 0.02 -0.10 0.18 -1.01 0.00 0.00 177.57 176.65 3g5k n LEU 17 N -3.81 0.17 -0.20 3.16 4.77 -0.64 -3.49 117.00 116.97 3g5k n LEU 17 Ca -0.03 0.28 0.04 0.00 -0.03 0.00 0.00 56.01 56.27 3g5k n LEU 17 Cb 0.10 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3g5k n LEU 17 CO 0.28 0.04 0.23 0.54 -1.33 0.00 0.00 177.39 177.14 3g5k n ARG 18 N -1.35 1.80 -2.04 3.23 3.00 -0.29 -4.15 116.66 116.86 3g5k n ARG 18 Ca 0.10 -0.62 -0.28 0.00 -0.01 0.00 0.00 57.85 57.04 3g5k n ARG 18 Cb 0.31 -1.04 0.14 0.00 0.00 0.00 0.00 32.46 31.87 3g5k n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3g5k s GLY 19 N -1.04 1.72 -0.35 -0.13 0.00 -1.00 -4.52 107.32 102.01 3g5k s GLY 19 Ca 0.07 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.57 3g5k s GLY 19 CO 0.17 -0.46 0.26 0.14 0.00 0.00 0.00 173.10 173.21 3g5k s VAL 20 N -3.63 5.27 0.49 1.40 1.01 -1.26 -2.20 120.40 121.48 3g5k s VAL 20 Ca 0.68 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.22 3g5k s VAL 20 Cb -0.07 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 3g5k s VAL 20 CO 0.50 -0.04 1.40 0.00 0.00 0.00 0.00 175.10 176.96 3g5k s ALA 21 N 1.76 3.06 0.46 5.51 0.00 -0.68 -4.98 121.76 126.90 3g5k s ALA 21 Ca 0.07 1.42 -0.20 0.00 0.00 0.00 0.00 51.96 53.25 3g5k s ALA 21 Cb -0.17 -3.59 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 3g5k s ALA 21 CO 0.11 -1.29 1.00 0.00 0.00 0.00 0.00 175.76 175.58 3g5k s ALA 22 N -1.24 2.95 0.66 0.00 0.00 -0.32 -4.60 121.76 119.21 3g5k s ALA 22 Ca 0.66 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 3g5k s ALA 22 Cb -0.43 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3g5k s ALA 22 CO 0.53 -0.11 1.12 -1.25 0.00 0.00 0.00 175.76 176.05 3g5k s PRO 23 N -3.23 2.75 0.20 0.00 0.04 -1.26 -0.49 135.00 133.00 3g5k s PRO 23 Ca 0.65 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 3g5k s PRO 23 Cb -0.13 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3g5k s PRO 23 CO 0.17 -1.30 0.95 0.08 0.04 0.00 0.00 177.00 176.94 3g5k s VAL 24 N -2.26 4.21 0.31 -0.36 1.01 -1.26 -4.78 120.40 117.26 3g5k s VAL 24 Ca 0.68 2.07 -0.18 0.00 0.00 0.00 0.00 61.98 64.56 3g5k s VAL 24 Cb -0.22 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 3g5k s VAL 24 CO 0.41 0.43 0.77 -1.61 0.00 0.00 0.00 175.10 175.11 3g5k s GLU 25 N -0.77 4.14 0.28 2.72 0.41 -1.26 -4.96 118.70 119.25 3g5k s GLU 25 Ca 0.43 0.83 0.01 0.00 -0.41 0.00 0.00 54.97 55.82 3g5k s GLU 25 Cb -0.25 -2.55 0.65 0.00 -1.78 0.00 0.00 34.13 30.20 3g5k s GLU 25 CO 0.31 0.21 1.67 0.00 -0.49 0.00 0.00 175.26 176.96 3g5k h ARG 26 N 2.59 0.27 0.00 1.61 2.47 -1.98 -0.27 114.38 119.07 3g5k h ARG 26 Ca -0.48 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3g5k h ARG 26 Cb 1.18 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 3g5k h ARG 26 CO 0.65 0.18 0.00 0.00 0.56 0.00 0.00 179.97 181.35 3g5k n ALA 27 N -2.64 1.40 0.51 0.04 0.00 -1.26 -1.66 120.51 116.90 3g5k n ALA 27 Ca 0.20 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.85 3g5k n ALA 27 Cb 0.61 -1.31 0.10 0.00 0.00 0.00 0.00 19.45 18.85 3g5k n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g5k n GLN 28 N -2.08 0.33 -1.94 0.00 1.13 -0.12 -4.80 117.38 109.91 3g5k n GLN 28 Ca 0.01 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.71 3g5k n GLN 28 Cb 0.14 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 28.79 3g5k n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3g5k s LEU 29 N -4.25 4.37 0.00 1.08 1.43 -0.66 -1.21 118.68 119.44 3g5k s LEU 29 Ca 0.04 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 3g5k s LEU 29 Cb 0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3g5k s LEU 29 CO 0.76 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3g5k n GLY 30 N 3.28 1.25 3.84 -3.19 0.00 0.11 -4.97 105.19 105.51 3g5k n GLY 30 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3g5k n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5k s GLY 31 N -2.00 1.65 0.19 -0.02 0.00 -0.35 -4.90 107.32 101.89 3g5k s GLY 31 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 3g5k s GLY 31 CO 0.00 0.24 1.78 -2.55 0.00 0.00 0.00 173.10 172.56 3g5k h PRO 32 N -0.73 0.47 -0.57 2.90 0.11 -1.95 -1.61 132.00 130.62 3g5k h PRO 32 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3g5k h PRO 32 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3g5k h PRO 32 CO 0.60 0.31 0.18 1.49 -0.21 0.00 0.00 178.00 180.37 3g5k h GLU 33 N 0.48 0.88 -0.40 1.05 4.81 -1.95 0.17 114.58 119.62 3g5k h GLU 33 Ca 0.25 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 3g5k h GLU 33 Cb 0.19 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3g5k h GLU 33 CO -0.19 0.79 -0.28 1.25 -0.73 0.00 0.00 179.01 179.85 3g5k h LEU 34 N 0.80 0.90 -0.88 1.64 5.85 -1.78 -2.29 115.31 119.54 3g5k h LEU 34 Ca 0.19 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.57 3g5k h LEU 34 Cb 0.27 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3g5k h LEU 34 CO -0.01 1.12 0.58 1.56 -0.34 0.00 0.00 178.44 181.35 3g5k h GLN 35 N 0.74 1.12 -0.54 1.25 4.20 -0.79 0.53 115.11 121.61 3g5k h GLN 35 Ca 0.09 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3g5k h GLN 35 Cb 0.84 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3g5k h GLN 35 CO 0.07 0.74 0.07 0.00 -0.67 0.00 0.00 178.83 179.04 3g5k h ARG 36 N 1.15 0.87 -0.13 1.46 3.08 -0.85 -1.10 114.38 118.87 3g5k h ARG 36 Ca 0.34 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3g5k h ARG 36 Cb -0.07 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 3g5k h ARG 36 CO -0.09 0.83 -0.10 1.25 -1.07 0.00 0.00 179.97 180.78 3g5k h LEU 37 N 0.82 0.31 -0.79 3.04 5.85 -0.80 -1.69 115.31 122.04 3g5k h LEU 37 Ca 0.17 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 3g5k h LEU 37 Cb 0.40 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3g5k h LEU 37 CO 0.01 0.70 0.29 0.71 -0.34 0.00 0.00 178.44 179.81 3g5k h THR 38 N -0.08 1.26 -0.82 1.05 1.35 -0.84 -0.91 112.91 113.92 3g5k h THR 38 Ca 0.02 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.99 3g5k h THR 38 Cb 0.60 0.35 -0.04 0.00 -1.73 0.00 0.00 68.15 67.34 3g5k h THR 38 CO 0.03 0.35 0.36 -0.61 -0.25 0.00 0.00 175.52 175.39 3g5k h GLN 39 N 1.15 1.20 -0.28 4.72 4.15 -1.15 -1.36 115.11 123.53 3g5k h GLN 39 Ca 0.26 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 3g5k h GLN 39 Cb 0.25 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3g5k h GLN 39 CO -0.02 0.95 -0.09 -0.09 -1.93 0.00 0.00 178.83 177.65 3g5k h ARG 40 N 1.18 0.56 -0.28 1.69 9.65 -0.98 -0.20 114.38 125.99 3g5k h ARG 40 Ca 0.28 -0.23 0.05 0.00 -1.10 0.00 0.00 59.98 58.98 3g5k h ARG 40 Cb 0.17 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 3g5k h ARG 40 CO -0.03 0.78 -0.03 -0.07 2.80 0.00 0.00 179.97 183.42 3g5k h LEU 41 N 0.31 -0.18 -0.95 3.80 3.38 -0.94 0.19 115.31 120.92 3g5k h LEU 41 Ca 0.07 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3g5k h LEU 41 Cb 0.59 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3g5k h LEU 41 CO 0.03 -0.05 0.08 0.58 0.09 0.00 0.00 178.44 179.17 3g5k h VAL 42 N 0.05 1.24 -0.54 1.22 2.07 -1.15 -0.87 116.25 118.27 3g5k h VAL 42 Ca 0.13 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.64 3g5k h VAL 42 Cb 0.19 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3g5k h VAL 42 CO -0.25 0.33 -0.10 -0.61 0.02 0.00 0.00 177.57 176.96 3g5k h GLN 43 N 0.80 1.01 -0.47 1.57 4.15 -0.49 0.03 115.11 121.71 3g5k h GLN 43 Ca 0.17 -0.37 -0.10 0.00 0.77 0.00 0.00 58.65 59.11 3g5k h GLN 43 Cb 0.37 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3g5k h GLN 43 CO 0.01 1.06 -0.10 0.28 -1.93 0.00 0.00 178.83 178.14 3g5k h VAL 44 N 0.89 1.27 -0.06 2.39 2.07 -0.77 -1.08 116.25 120.95 3g5k h VAL 44 Ca 0.14 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.45 3g5k h VAL 44 Cb 0.66 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3g5k h VAL 44 CO 0.05 0.42 -0.05 -0.03 0.02 0.00 0.00 177.57 177.98 3g5k h MET 45 N 0.76 -0.06 -0.36 1.57 1.85 -1.01 -1.29 114.93 116.39 3g5k h MET 45 Ca 0.12 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 59.10 3g5k h MET 45 Cb 0.65 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 3g5k h MET 45 CO 0.05 -0.04 -0.25 0.00 -0.40 0.00 0.00 176.91 176.27 3g5k h ARG 46 N -0.06 0.72 -0.77 0.39 3.08 -0.86 -1.82 114.38 115.06 3g5k h ARG 46 Ca 0.04 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3g5k h ARG 46 Cb 0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3g5k h ARG 46 CO -0.10 0.89 0.43 0.00 -1.07 0.00 0.00 179.97 180.12 3g5k h ARG 47 N 0.62 1.06 -0.01 0.04 3.08 -0.91 -2.08 114.38 116.19 3g5k h ARG 47 Ca 0.08 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3g5k h ARG 47 Cb 0.74 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3g5k h ARG 47 CO 0.06 0.77 -0.07 0.54 -1.07 0.00 0.00 179.97 180.20 3g5k n ARG 48 N -4.36 1.03 -3.06 0.04 5.12 -0.51 -4.93 116.66 109.98 3g5k n ARG 48 Ca 0.08 -0.40 -0.22 0.00 -1.93 0.00 0.00 57.85 55.38 3g5k n ARG 48 Cb 0.09 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 29.94 3g5k n ARG 48 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g5k n ARG 49 N -0.64 -5.16 -3.58 5.56 5.12 -0.74 -4.99 116.66 112.23 3g5k n ARG 49 Ca 0.17 0.89 -0.22 0.00 -1.93 0.00 0.00 57.85 56.77 3g5k n ARG 49 Cb 0.27 -5.74 -0.02 0.00 -1.16 0.00 0.00 32.46 25.81 3g5k n ARG 49 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3g5k n VAL 51 N -1.67 0.26 -3.48 0.00 0.24 -1.26 -4.66 118.33 107.77 3g5k n VAL 51 Ca 0.04 -0.63 -0.12 0.00 -2.04 0.00 0.00 64.34 61.59 3g5k n VAL 51 Cb 0.62 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 3g5k n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3g5k s GLY 52 N -0.62 -0.53 -0.04 7.63 0.00 -1.26 -0.94 107.32 111.56 3g5k s GLY 52 Ca 0.08 0.95 -0.27 0.00 0.00 0.00 0.00 44.72 45.49 3g5k s GLY 52 CO 0.08 0.45 0.58 -2.27 0.00 0.00 0.00 173.10 171.94 3g5k s LEU 53 N -2.22 -0.27 0.17 0.66 2.96 -0.69 -4.97 118.68 114.32 3g5k s LEU 53 Ca -0.00 0.54 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 3g5k s LEU 53 Cb -0.01 2.22 -0.04 0.00 0.50 0.00 0.00 46.19 48.86 3g5k s LEU 53 CO -0.06 -0.58 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.27 3g5k s SER 54 N -1.27 2.68 0.30 3.68 1.04 -1.26 -0.63 113.70 118.25 3g5k s SER 54 Ca -0.11 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.46 3g5k s SER 54 Cb -0.01 -0.16 0.56 0.00 0.10 0.00 0.00 66.02 66.51 3g5k s SER 54 CO 0.08 -0.04 1.89 0.00 0.98 0.00 0.00 173.24 176.15 3g5k h ALA 55 N 3.20 1.55 -0.11 5.32 0.00 -1.27 -0.96 119.26 126.99 3g5k h ALA 55 Ca -0.42 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3g5k h ALA 55 Cb 1.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3g5k h ALA 55 CO 0.52 0.28 0.11 -1.35 0.00 0.00 0.00 179.25 178.81 3g5k h PRO 56 N 0.99 0.00 0.00 0.00 0.11 -1.49 0.13 132.00 131.74 3g5k h PRO 56 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3g5k h PRO 56 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3g5k h PRO 56 CO -0.18 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.57 3g5k h GLN 57 N 0.00 0.00 -0.65 1.05 4.20 -1.45 -0.68 115.11 117.58 3g5k h GLN 57 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3g5k h GLN 57 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3g5k h GLN 57 CO -0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 3g5k n LEU 58 N -2.35 4.40 0.00 1.46 4.77 0.39 0.04 117.00 125.72 3g5k n LEU 58 Ca 0.04 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3g5k n LEU 58 Cb 0.37 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3g5k n LEU 58 CO 0.27 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 3g5k n GLY 59 N 1.14 0.67 3.14 -0.72 0.00 -0.26 -4.95 105.19 104.21 3g5k n GLY 59 Ca 0.24 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3g5k n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g5k s VAL 60 N -2.00 2.91 -1.45 1.61 1.01 -0.74 -4.97 120.40 116.77 3g5k s VAL 60 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 61.98 60.25 3g5k s VAL 60 Cb 0.00 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.63 3g5k s VAL 60 CO 0.00 -0.26 2.43 -0.81 0.00 0.00 0.00 175.10 176.46 3g5k n PRO 61 N 4.56 3.62 -4.17 2.72 -0.04 -1.26 -1.52 135.00 138.91 3g5k n PRO 61 Ca -0.09 -2.81 -0.17 0.00 -0.04 0.00 0.00 63.50 60.38 3g5k n PRO 61 Cb 0.43 -2.93 -0.12 0.00 -0.04 0.00 0.00 33.50 30.84 3g5k n PRO 61 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g5k s ARG 62 N 1.48 0.81 -1.21 0.54 0.52 -1.26 -1.17 118.95 118.66 3g5k s ARG 62 Ca 0.54 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.55 3g5k s ARG 62 Cb 0.15 -0.72 0.04 0.00 0.52 0.00 0.00 34.95 34.95 3g5k s ARG 62 CO -0.06 0.15 1.71 -0.65 0.02 0.00 0.00 175.30 176.46 3g5k s GLN 63 N -2.03 3.68 -0.02 3.54 -0.21 0.36 -4.44 119.66 120.53 3g5k s GLN 63 Ca -0.00 -1.65 -0.01 0.00 0.02 0.00 0.00 55.36 53.71 3g5k s GLN 63 Cb -0.08 -5.45 0.02 0.00 1.00 0.00 0.00 33.01 28.50 3g5k s GLN 63 CO 0.02 -2.49 0.05 0.08 -2.12 0.00 0.00 175.29 170.83 3g5k s VAL 64 N 5.41 -0.02 0.08 1.09 1.01 -1.26 -0.82 120.40 125.88 3g5k s VAL 64 Ca 0.55 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 3g5k s VAL 64 Cb 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.31 3g5k s VAL 64 CO 0.04 0.04 0.23 -1.48 0.00 0.00 0.00 175.10 173.94 3g5k s LEU 65 N 0.49 1.20 0.08 3.92 0.05 -0.57 -0.96 118.68 122.89 3g5k s LEU 65 Ca -0.04 -0.50 0.06 0.00 0.05 0.00 0.00 54.13 53.70 3g5k s LEU 65 Cb -0.06 1.18 -0.03 0.00 -2.05 0.00 0.00 46.19 45.23 3g5k s LEU 65 CO -0.02 -0.71 -0.16 0.00 -0.55 0.00 0.00 176.35 174.91 3g5k s ALA 66 N -3.49 1.37 -0.04 1.48 0.00 0.20 -0.95 121.76 120.34 3g5k s ALA 66 Ca 0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 3g5k s ALA 66 Cb 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3g5k s ALA 66 CO -0.09 0.23 0.08 -0.51 0.00 0.00 0.00 175.76 175.47 3g5k s LEU 67 N -1.75 1.22 -0.27 0.00 1.43 -0.25 -1.70 118.68 117.36 3g5k s LEU 67 Ca 0.01 0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 3g5k s LEU 67 Cb -0.10 0.19 0.08 0.00 0.03 0.00 0.00 46.19 46.39 3g5k s LEU 67 CO 0.03 -0.09 0.74 -0.70 0.23 0.00 0.00 176.35 176.56 3g5k s GLU 68 N 0.70 0.80 -0.33 1.70 2.12 -0.12 -1.51 118.70 122.05 3g5k s GLU 68 Ca -0.05 0.99 -0.01 0.00 0.36 0.00 0.00 54.97 56.25 3g5k s GLU 68 Cb -0.08 0.37 0.11 0.00 0.26 0.00 0.00 34.13 34.80 3g5k s GLU 68 CO -0.03 -0.10 0.14 -1.17 -0.54 0.00 0.00 175.26 173.56 3g5k s LEU 69 N 0.49 1.88 0.57 2.70 2.96 -0.57 -4.37 118.68 122.33 3g5k s LEU 69 Ca -0.01 -1.82 -0.18 0.00 -0.22 0.00 0.00 54.13 51.90 3g5k s LEU 69 Cb -0.05 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 3g5k s LEU 69 CO -0.02 -0.38 1.10 -2.84 -1.32 0.00 0.00 176.35 172.89 3g5k s PRO 70 N 1.41 3.28 0.40 0.98 0.02 -1.26 -1.27 135.00 138.55 3g5k s PRO 70 Ca 0.12 1.46 0.09 0.00 0.02 0.00 0.00 61.00 62.69 3g5k s PRO 70 Cb -0.19 -2.01 0.87 0.00 0.02 0.00 0.00 34.50 33.19 3g5k s PRO 70 CO -0.19 -0.88 2.00 1.49 -0.33 0.00 0.00 177.00 179.08 3g5k h GLU 71 N 0.85 0.57 -0.79 5.54 4.81 -1.95 -2.56 114.58 121.04 3g5k h GLU 71 Ca -0.49 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.83 3g5k h GLU 71 Cb 1.25 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.41 3g5k h GLU 71 CO 0.57 0.37 0.40 0.00 -0.73 0.00 0.00 179.01 179.62 3g5k h ALA 72 N 1.68 1.14 -0.51 2.92 0.00 -1.99 -0.66 119.26 121.84 3g5k h ALA 72 Ca 0.24 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3g5k h ALA 72 Cb 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3g5k h ALA 72 CO -0.07 -0.06 -0.02 1.25 0.00 0.00 0.00 179.25 180.35 3g5k h LEU 73 N 0.62 0.84 -1.00 0.00 5.85 -1.83 -1.12 115.31 118.67 3g5k h LEU 73 Ca 0.41 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3g5k h LEU 73 Cb 0.52 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3g5k h LEU 73 CO -0.32 0.91 0.27 0.00 -0.34 0.00 0.00 178.44 178.96 3g5k h ARG 75 N 0.97 0.00 -0.48 0.00 3.08 -0.42 -2.68 114.38 114.85 3g5k h ARG 75 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 3g5k h ARG 75 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3g5k h ARG 75 CO -0.02 0.00 0.17 0.93 -1.07 0.00 0.00 179.97 179.98 3g5k h GLU 76 N 0.00 0.69 -6.36 0.04 5.08 -1.13 -3.42 114.58 109.49 3g5k h GLU 76 Ca -0.00 -0.11 -0.55 0.00 -1.00 0.00 0.00 59.36 57.71 3g5k h GLU 76 Cb 0.75 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3g5k h GLU 76 CO 0.00 0.59 0.72 0.00 -1.00 0.00 0.00 179.01 179.31 3g5k n PRO 78 N 5.04 1.17 -0.35 0.00 -0.02 -1.26 -4.56 135.00 135.02 3g5k n PRO 78 Ca 0.11 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3g5k n PRO 78 Cb 0.45 -1.78 0.32 0.00 -0.02 0.00 0.00 33.50 32.48 3g5k n PRO 78 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3g5k h PRO 79 N 2.24 0.72 -0.42 0.52 0.11 -1.92 0.12 132.00 133.36 3g5k h PRO 79 Ca -0.39 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 3g5k h PRO 79 Cb 1.35 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3g5k h PRO 79 CO 0.63 0.47 0.12 -0.09 -0.21 0.00 0.00 178.00 178.92 3g5k h ARG 80 N 0.74 0.67 -0.36 1.05 9.65 -1.99 -0.74 114.38 123.39 3g5k h ARG 80 Ca 0.57 -0.15 -0.15 0.00 -1.10 0.00 0.00 59.98 59.16 3g5k h ARG 80 Cb 0.90 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 3g5k h ARG 80 CO -0.39 0.67 -0.34 1.96 2.80 0.00 0.00 179.97 184.67 3g5k h GLN 81 N 0.55 0.87 -0.58 0.20 4.20 -1.51 -1.24 115.11 117.60 3g5k h GLN 81 Ca 0.13 -0.45 0.08 0.00 0.06 0.00 0.00 58.65 58.47 3g5k h GLN 81 Cb 0.29 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 3g5k h GLN 81 CO -0.00 1.10 0.24 -0.09 -0.67 0.00 0.00 178.83 179.40 3g5k h ARG 82 N 0.67 0.42 -0.29 1.46 2.43 -0.68 0.16 114.38 118.56 3g5k h ARG 82 Ca 0.06 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 3g5k h ARG 82 Cb 0.93 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3g5k h ARG 82 CO 0.09 0.28 -0.43 0.00 -1.51 0.00 0.00 179.97 178.40 3g5k h ALA 83 N 1.38 0.69 -0.30 2.80 0.00 -0.94 -0.10 119.26 122.79 3g5k h ALA 83 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3g5k h ALA 83 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3g5k h ALA 83 CO -0.27 0.67 0.17 -0.07 0.00 0.00 0.00 179.25 179.75 3g5k h LEU 84 N 0.59 0.38 -0.00 0.00 3.38 -0.98 -2.37 115.31 116.30 3g5k h LEU 84 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3g5k h LEU 84 Cb 0.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3g5k h LEU 84 CO 0.09 0.35 -0.00 0.54 0.09 0.00 0.00 178.44 179.51 3g5k n ARG 85 N -4.81 0.48 -3.60 1.13 1.74 0.02 -4.92 116.66 106.70 3g5k n ARG 85 Ca -0.02 -0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 3g5k n ARG 85 Cb 0.08 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.06 3g5k n ARG 85 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3g5k n GLN 86 N -1.26 -3.80 -3.41 5.56 6.02 -0.13 -2.72 117.38 117.64 3g5k n GLN 86 Ca 0.15 0.65 -0.39 0.00 -0.01 0.00 0.00 57.00 57.40 3g5k n GLN 86 Cb 0.23 -5.13 -0.09 0.00 1.02 0.00 0.00 30.24 26.28 3g5k n GLN 86 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3g5k s MET 87 N -5.65 4.06 0.02 -1.09 1.75 -0.72 -2.47 119.30 115.20 3g5k s MET 87 Ca 0.18 0.05 0.01 0.00 -1.25 0.00 0.00 55.69 54.69 3g5k s MET 87 Cb -0.05 -3.62 -0.02 0.00 2.84 0.00 0.00 34.83 33.99 3g5k s MET 87 CO 0.80 -0.19 -0.05 -1.21 -0.65 0.00 0.00 175.02 173.73 3g5k s GLU 88 N 1.79 0.37 0.76 4.11 0.41 -1.26 -4.87 118.70 120.02 3g5k s GLU 88 Ca 0.15 -0.52 -0.11 0.00 -0.41 0.00 0.00 54.97 54.09 3g5k s GLU 88 Cb -0.15 -0.15 0.05 0.00 -1.78 0.00 0.00 34.13 32.10 3g5k s GLU 88 CO 0.09 0.02 1.09 -1.25 -0.49 0.00 0.00 175.26 174.72 3g5k s PRO 89 N -1.10 2.35 -0.04 0.39 0.04 -1.26 -4.83 135.00 130.55 3g5k s PRO 89 Ca -0.09 1.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.86 3g5k s PRO 89 Cb -0.07 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.60 3g5k s PRO 89 CO -0.00 -1.56 0.50 -0.59 0.04 0.00 0.00 177.00 175.38 3g5k s PHE 90 N -2.93 -0.43 0.78 0.56 -0.71 -0.40 -4.97 117.98 109.88 3g5k s PHE 90 Ca 0.61 0.75 -0.11 0.00 -1.04 0.00 0.00 56.93 57.13 3g5k s PHE 90 Cb -0.17 0.25 0.06 0.00 -1.21 0.00 0.00 43.02 41.95 3g5k s PHE 90 CO 0.56 -0.48 1.08 -1.25 -1.34 0.00 0.00 175.22 173.79 3g5k s PRO 91 N -1.14 2.23 0.32 1.99 0.04 -1.26 -1.52 135.00 135.66 3g5k s PRO 91 Ca -0.11 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 3g5k s PRO 91 Cb -0.03 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 3g5k s PRO 91 CO 0.07 -1.57 1.51 -1.17 0.04 0.00 0.00 177.00 175.88 3g5k s LEU 92 N -5.80 4.35 -0.02 -3.56 2.96 -1.26 -4.66 118.68 110.69 3g5k s LEU 92 Ca 0.60 2.92 -0.02 0.00 -0.22 0.00 0.00 54.13 57.42 3g5k s LEU 92 Cb -0.15 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3g5k s LEU 92 CO 0.55 -0.84 0.04 -0.13 -1.32 0.00 0.00 176.35 174.65 3g5k s ARG 93 N -1.11 0.05 -0.11 1.98 0.52 -0.57 -5.00 118.95 114.71 3g5k s ARG 93 Ca 0.58 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.88 3g5k s ARG 93 Cb -0.46 0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.03 3g5k s ARG 93 CO 0.53 -0.01 -0.20 0.08 0.02 0.00 0.00 175.30 175.72 3g5k s VAL 94 N 0.03 2.43 -0.03 3.52 1.01 -1.26 -1.09 120.40 125.00 3g5k s VAL 94 Ca -0.00 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.16 3g5k s VAL 94 Cb -0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 3g5k s VAL 94 CO 0.00 0.55 -0.24 -0.36 0.00 0.00 0.00 175.10 175.05 3g5k s PHE 95 N 0.35 2.41 -0.08 5.22 0.40 -0.12 -4.42 117.98 121.74 3g5k s PHE 95 Ca -0.16 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.76 3g5k s PHE 95 Cb -0.17 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 3g5k s PHE 95 CO 0.08 -0.04 -0.18 0.08 0.70 0.00 0.00 175.22 175.86 3g5k s VAL 96 N -0.55 2.72 -1.37 -0.44 1.01 0.12 -1.51 120.40 120.37 3g5k s VAL 96 Ca 0.08 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 3g5k s VAL 96 Cb -0.11 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3g5k s VAL 96 CO 0.00 0.56 0.42 0.59 0.00 0.00 0.00 175.10 176.67 3g5k n ASN 97 N 2.91 -1.34 -4.86 3.32 3.02 -0.00 -0.54 115.26 117.77 3g5k n ASN 97 Ca -0.18 -1.11 -0.31 0.00 -0.03 0.00 0.00 54.58 52.95 3g5k n ASN 97 Cb 0.52 -2.58 -0.01 0.00 -0.61 0.00 0.00 39.78 37.10 3g5k n ASN 97 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3g5k s PRO 98 N -6.77 3.72 0.11 3.52 0.04 -1.26 -4.56 135.00 129.79 3g5k s PRO 98 Ca 0.14 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.06 3g5k s PRO 98 Cb -0.06 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 3g5k s PRO 98 CO 0.92 -0.46 -0.15 -1.54 0.04 0.00 0.00 177.00 175.81 3g5k s SER 99 N -3.79 2.02 -0.05 6.66 1.04 0.74 -4.95 113.70 115.37 3g5k s SER 99 Ca 0.56 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 56.29 3g5k s SER 99 Cb -0.11 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 3g5k s SER 99 CO 0.46 -0.09 -0.14 -0.22 0.98 0.00 0.00 173.24 174.22 3g5k s LEU 100 N -2.20 2.73 -0.09 2.42 0.20 -1.26 -0.69 118.68 119.78 3g5k s LEU 100 Ca 0.06 -0.20 0.02 0.00 0.69 0.00 0.00 54.13 54.70 3g5k s LEU 100 Cb -0.07 -1.55 0.01 0.00 -0.43 0.00 0.00 46.19 44.15 3g5k s LEU 100 CO 0.03 0.35 -0.15 -0.60 -0.29 0.00 0.00 176.35 175.68 3g5k s ARG 101 N -0.74 2.16 -0.06 1.98 3.52 -0.23 -5.00 118.95 120.59 3g5k s ARG 101 Ca 0.11 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 3g5k s ARG 101 Cb -0.11 -1.79 -0.02 0.00 -1.56 0.00 0.00 34.95 31.48 3g5k s ARG 101 CO 0.00 0.00 1.02 0.08 -0.81 0.00 0.00 175.30 175.60 3g5k s VAL 102 N 0.80 4.74 -0.15 7.11 1.01 -1.26 -0.55 120.40 132.09 3g5k s VAL 102 Ca -0.11 1.99 0.14 0.00 0.00 0.00 0.00 61.98 64.00 3g5k s VAL 102 Cb -0.16 -4.28 -0.20 0.00 0.00 0.00 0.00 36.38 31.75 3g5k s VAL 102 CO 0.02 0.06 0.07 0.18 0.00 0.00 0.00 175.10 175.43 3g5k n LEU 103 N 4.58 0.00 -3.68 3.92 4.77 0.06 -4.88 117.00 121.76 3g5k n LEU 103 Ca 0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 3g5k n LEU 103 Cb 0.49 0.38 -0.17 0.00 -2.33 0.00 0.00 43.42 41.80 3g5k n LEU 103 CO 0.52 0.38 -0.35 -0.62 -1.33 0.00 0.00 177.39 176.00 3g5k s ASP 104 N -4.94 2.38 0.00 -1.43 -1.08 -0.68 -4.95 116.67 105.97 3g5k s ASP 104 Ca -0.08 -0.58 0.19 0.00 -0.52 0.00 0.00 52.55 51.56 3g5k s ASP 104 Cb 0.05 -0.40 0.67 0.00 -1.46 0.00 0.00 42.92 41.79 3g5k s ASP 104 CO 0.66 -0.31 1.50 -1.54 0.52 0.00 0.00 175.17 176.00 3g5k n SER 105 N 5.18 1.67 -4.76 -0.34 3.41 -1.26 -2.50 113.62 115.00 3g5k n SER 105 Ca -0.07 -1.76 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 3g5k n SER 105 Cb 0.48 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 3g5k n SER 105 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3g5k n ARG 106 N 0.34 2.61 -3.72 4.33 0.63 -1.26 -4.75 116.66 114.83 3g5k n ARG 106 Ca 0.15 0.92 -0.37 0.00 -0.92 0.00 0.00 57.85 57.63 3g5k n ARG 106 Cb 0.32 -2.63 -0.06 0.00 0.45 0.00 0.00 32.46 30.53 3g5k n ARG 106 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3g5k s LEU 107 N -1.85 4.37 -0.05 6.15 1.43 -1.26 -0.35 118.68 127.12 3g5k s LEU 107 Ca 0.54 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 3g5k s LEU 107 Cb -0.49 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.49 3g5k s LEU 107 CO 0.63 0.32 -0.14 0.68 0.23 0.00 0.00 176.35 178.07 3g5k s VAL 108 N -0.70 1.24 -0.16 -1.59 -7.23 0.46 -4.89 120.40 107.54 3g5k s VAL 108 Ca 0.17 -0.60 -0.00 0.00 -1.81 0.00 0.00 61.98 59.74 3g5k s VAL 108 Cb -0.13 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 3g5k s VAL 108 CO 0.06 0.37 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.19 3g5k s THR 109 N 0.21 2.87 0.16 5.32 2.01 -1.26 -0.79 115.64 124.15 3g5k s THR 109 Ca -0.06 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 3g5k s THR 109 Cb -0.12 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 3g5k s THR 109 CO 0.02 0.51 0.29 -0.36 -0.69 0.00 0.00 174.62 174.39 3g5k s PHE 110 N 0.76 0.37 0.36 4.92 0.08 -1.21 -4.92 117.98 118.33 3g5k s PHE 110 Ca -0.05 -0.73 -0.27 0.00 0.12 0.00 0.00 56.93 56.00 3g5k s PHE 110 Cb -0.15 -0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.16 3g5k s PHE 110 CO 0.01 -0.72 1.15 -2.14 -0.10 0.00 0.00 175.22 173.43 3g5k s PRO 111 N -3.96 4.28 0.11 0.24 0.02 -1.26 -1.66 135.00 132.77 3g5k s PRO 111 Ca 0.16 1.84 -0.04 0.00 0.02 0.00 0.00 61.00 62.98 3g5k s PRO 111 Cb 0.03 -2.86 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 3g5k s PRO 111 CO -0.01 -0.13 0.12 -1.83 -0.33 0.00 0.00 177.00 174.82 3g5k s GLU 112 N -2.01 0.89 0.31 5.54 -1.05 -0.27 -4.92 118.70 117.19 3g5k s GLU 112 Ca 0.52 -1.24 0.03 0.00 -0.15 0.00 0.00 54.97 54.14 3g5k s GLU 112 Cb -0.31 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 33.62 3g5k s GLU 112 CO 0.40 -0.27 0.14 0.20 0.95 0.00 0.00 175.26 176.68 3g5k s GLY 113 N -2.96 2.08 -0.01 -3.83 0.00 -1.26 -1.53 107.32 99.80 3g5k s GLY 113 Ca 0.15 -1.73 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3g5k s GLY 113 CO -0.04 -1.64 -0.02 0.00 0.00 0.00 0.00 173.10 171.40 3g5k h GLU 115 N 6.37 0.00 -0.22 0.00 4.39 -1.96 -1.61 114.58 121.54 3g5k h GLU 115 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3g5k h GLU 115 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3g5k h GLU 115 CO 0.50 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.78 3g5k n SER 116 N -2.77 2.15 -3.15 1.42 7.64 -1.26 -4.00 113.62 113.64 3g5k n SER 116 Ca -0.02 -1.79 -0.21 0.00 1.01 0.00 0.00 58.87 57.86 3g5k n SER 116 Cb 0.10 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.12 3g5k n SER 116 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3g5k n VAL 117 N 0.64 0.55 -1.66 0.44 0.31 -0.61 -0.96 118.33 117.05 3g5k n VAL 117 Ca 0.17 -4.73 -0.47 0.00 -0.01 0.00 0.00 64.34 59.30 3g5k n VAL 117 Cb 0.40 -0.90 -0.04 0.00 -0.91 0.00 0.00 33.84 32.39 3g5k n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5k n ALA 118 N 0.40 1.10 -0.09 3.52 0.00 -1.24 -3.07 120.51 121.14 3g5k n ALA 118 Ca 0.26 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.14 3g5k n ALA 118 Cb 0.57 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3g5k n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5k n GLY 119 N 3.41 0.81 3.20 0.00 0.00 -1.26 -5.07 105.19 106.28 3g5k n GLY 119 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 3g5k n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5k s PHE 120 N -2.06 1.12 0.12 1.61 0.08 -1.17 -1.11 117.98 116.56 3g5k s PHE 120 Ca 0.00 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.40 3g5k s PHE 120 Cb 0.00 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 3g5k s PHE 120 CO 0.00 0.02 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.52 3g5k s LEU 121 N -2.65 2.47 0.10 -0.37 1.43 -0.45 -4.29 118.68 114.92 3g5k s LEU 121 Ca 0.09 -0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 52.06 3g5k s LEU 121 Cb -0.01 -0.33 0.05 0.00 0.03 0.00 0.00 46.19 45.93 3g5k s LEU 121 CO -0.00 -0.30 0.51 0.00 0.23 0.00 0.00 176.35 176.80 3g5k s ALA 122 N -2.89 -1.31 0.26 4.21 0.00 -0.58 -0.65 121.76 120.80 3g5k s ALA 122 Ca 0.11 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 3g5k s ALA 122 Cb -0.00 0.63 -0.09 0.00 0.00 0.00 0.00 23.12 23.65 3g5k s ALA 122 CO 0.00 -0.63 1.12 0.00 0.00 0.00 0.00 175.76 176.26 3g5k s VAL 124 N -0.96 -0.06 0.23 0.00 1.01 -0.66 -1.26 120.40 118.69 3g5k s VAL 124 Ca 0.46 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 3g5k s VAL 124 Cb -0.32 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.86 3g5k s VAL 124 CO 0.41 0.11 1.12 -2.16 0.00 0.00 0.00 175.10 174.58 3g5k s PRO 125 N 1.34 4.59 0.03 2.72 0.04 -1.26 -3.34 135.00 139.12 3g5k s PRO 125 Ca -0.06 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 3g5k s PRO 125 Cb -0.13 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3g5k s PRO 125 CO -0.03 0.11 -0.03 1.03 0.04 0.00 0.00 177.00 178.12 3g5k s ARG 126 N -0.87 0.41 0.48 4.56 1.81 0.02 -4.90 118.95 120.46 3g5k s ARG 126 Ca 0.48 -0.80 -0.22 0.00 -1.72 0.00 0.00 55.73 53.46 3g5k s ARG 126 Cb -0.31 0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.26 3g5k s ARG 126 CO 0.38 -0.07 1.18 -0.06 -0.68 0.00 0.00 175.30 176.05 3g5k s PHE 127 N -2.25 2.80 0.32 -0.53 0.40 -1.26 -0.40 117.98 117.05 3g5k s PHE 127 Ca -0.09 1.52 0.01 0.00 -0.60 0.00 0.00 56.93 57.78 3g5k s PHE 127 Cb -0.04 -3.40 0.54 0.00 0.51 0.00 0.00 43.02 40.63 3g5k s PHE 127 CO -0.04 -1.63 1.91 0.37 0.70 0.00 0.00 175.22 176.53 3g5k h GLN 128 N 1.89 0.75 -2.95 0.44 5.75 -0.39 -3.42 115.11 117.18 3g5k h GLN 128 Ca -0.50 -0.11 -0.14 0.00 -0.15 0.00 0.00 58.65 57.75 3g5k h GLN 128 Cb 1.25 -0.14 -0.25 0.00 1.07 0.00 0.00 27.48 29.42 3g5k h GLN 128 CO 0.59 0.62 -0.34 0.00 -2.65 0.00 0.00 178.83 177.06 3g5k s ALA 129 N -5.34 -0.80 0.18 3.38 0.00 -1.08 -0.87 121.76 117.23 3g5k s ALA 129 Ca -0.09 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 3g5k s ALA 129 Cb 0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3g5k s ALA 129 CO 0.78 -0.16 0.28 0.14 0.00 0.00 0.00 175.76 176.80 3g5k s VAL 130 N 0.15 0.04 0.01 0.00 -7.23 -0.71 -0.76 120.40 111.90 3g5k s VAL 130 Ca -0.00 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 3g5k s VAL 130 Cb -0.02 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 3g5k s VAL 130 CO 0.01 -0.20 -0.16 0.00 -0.31 0.00 0.00 175.10 174.43 3g5k s GLN 131 N -4.02 1.21 -0.10 4.82 -2.07 0.28 -1.45 119.66 118.33 3g5k s GLN 131 Ca 0.23 -0.68 0.01 0.00 -1.82 0.00 0.00 55.36 53.09 3g5k s GLN 131 Cb 0.04 -1.21 -0.02 0.00 -1.09 0.00 0.00 33.01 30.73 3g5k s GLN 131 CO 0.04 0.32 -0.12 -1.50 -1.32 0.00 0.00 175.29 172.71 3g5k s ILE 132 N -0.57 3.17 -0.01 3.63 2.07 0.18 -1.07 121.20 128.59 3g5k s ILE 132 Ca 0.05 -0.64 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 3g5k s ILE 132 Cb -0.07 -2.31 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 3g5k s ILE 132 CO 0.00 0.55 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.95 3g5k s SER 133 N -0.04 2.26 0.00 4.50 0.01 0.13 -1.00 113.70 119.56 3g5k s SER 133 Ca -0.03 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3g5k s SER 133 Cb -0.14 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.84 3g5k s SER 133 CO 0.04 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.53 3g5k n GLY 134 N 2.57 0.48 3.92 3.44 0.00 -0.55 -0.18 105.19 114.87 3g5k n GLY 134 Ca -0.15 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 3g5k n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5k s LEU 135 N 0.00 4.29 0.83 0.99 1.43 0.30 -0.93 118.68 125.59 3g5k s LEU 135 Ca 0.00 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 3g5k s LEU 135 Cb 0.00 -2.89 0.09 0.00 0.03 0.00 0.00 46.19 43.42 3g5k s LEU 135 CO 0.00 0.12 1.12 -1.81 0.23 0.00 0.00 176.35 176.01 3g5k s ASP 136 N -2.83 4.29 0.60 2.29 1.01 -0.26 0.11 116.67 121.88 3g5k s ASP 136 Ca 0.34 1.08 0.38 0.00 0.71 0.00 0.00 52.55 55.07 3g5k s ASP 136 Cb -0.12 -1.74 1.88 0.00 1.01 0.00 0.00 42.92 43.96 3g5k s ASP 136 CO 0.28 -2.07 2.18 -0.65 0.21 0.00 0.00 175.17 175.11 3g5k h PRO 137 N -1.16 0.00 0.00 8.23 0.11 -1.92 -1.42 132.00 135.83 3g5k h PRO 137 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3g5k h PRO 137 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3g5k h PRO 137 CO 0.62 0.01 -0.36 -0.91 -0.21 0.00 0.00 178.00 177.15 3g5k h ASN 138 N 0.00 0.00 0.00 -2.05 2.35 -1.94 0.31 115.58 114.25 3g5k h ASN 138 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g5k h ASN 138 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3g5k h ASN 138 CO 0.00 0.36 0.00 0.61 -1.65 0.00 0.00 177.43 176.75 3g5k n GLY 139 N 0.01 1.28 3.76 2.83 0.00 -0.53 -4.45 105.19 108.07 3g5k n GLY 139 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3g5k n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g5k s GLU 140 N -0.03 4.59 0.40 1.61 2.02 -1.26 -4.75 118.70 121.29 3g5k s GLU 140 Ca 0.00 1.20 -0.26 0.00 0.02 0.00 0.00 54.97 55.93 3g5k s GLU 140 Cb 0.00 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.84 3g5k s GLU 140 CO 0.00 0.44 1.32 -1.14 0.02 0.00 0.00 175.26 175.90 3g5k s GLN 141 N -0.71 3.97 -0.07 1.61 2.00 -1.26 -1.10 119.66 124.10 3g5k s GLN 141 Ca 0.38 2.19 -0.13 0.00 -2.00 0.00 0.00 55.36 55.80 3g5k s GLN 141 Cb -0.23 -2.77 0.03 0.00 0.80 0.00 0.00 33.01 30.84 3g5k s GLN 141 CO 0.26 -0.50 0.32 0.54 -0.50 0.00 0.00 175.29 175.41 3g5k s VAL 142 N -1.25 0.03 -0.16 1.34 0.11 -0.11 -4.89 120.40 115.47 3g5k s VAL 142 Ca 0.57 -0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 3g5k s VAL 142 Cb -0.39 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 3g5k s VAL 142 CO 0.50 -0.14 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.32 3g5k s VAL 143 N -0.60 2.98 -0.16 2.04 1.01 -1.26 -1.48 120.40 122.93 3g5k s VAL 143 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3g5k s VAL 143 Cb -0.04 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.07 3g5k s VAL 143 CO 0.02 0.50 -0.18 0.86 0.00 0.00 0.00 175.10 176.30 3g5k s TRP 144 N 0.79 2.75 -0.10 5.22 -0.00 -0.17 -4.98 118.94 122.44 3g5k s TRP 144 Ca -0.04 -1.28 -0.01 0.00 -0.00 0.00 0.00 56.10 54.77 3g5k s TRP 144 Cb -0.15 -1.88 -0.03 0.00 -0.00 0.00 0.00 33.47 31.41 3g5k s TRP 144 CO 0.01 -0.60 -0.06 -0.65 -0.00 0.00 0.00 176.95 175.65 3g5k s GLN 145 N 0.95 3.14 0.22 5.86 -0.21 -1.26 -0.65 119.66 127.70 3g5k s GLN 145 Ca -0.03 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 54.66 3g5k s GLN 145 Cb -0.15 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.15 3g5k s GLN 145 CO -0.04 0.48 0.49 0.00 -2.12 0.00 0.00 175.29 174.10 3g5k s ALA 146 N -0.30 -0.56 0.31 6.09 0.00 -0.53 -5.02 121.76 121.76 3g5k s ALA 146 Ca 0.04 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3g5k s ALA 146 Cb -0.13 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3g5k s ALA 146 CO 0.02 -0.82 0.14 -1.54 0.00 0.00 0.00 175.76 173.57 3g5k s SER 147 N -2.94 1.71 0.87 0.00 1.04 -1.26 -1.74 113.70 111.38 3g5k s SER 147 Ca 0.15 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.04 3g5k s SER 147 Cb -0.01 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3g5k s SER 147 CO 0.03 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3g5k n GLY 148 N -0.62 2.46 0.35 7.32 0.00 -0.05 -2.84 105.19 111.82 3g5k n GLY 148 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 3g5k n GLY 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3g5k h TRP 149 N 0.00 1.09 -0.62 1.61 2.91 -1.28 -1.45 115.95 118.21 3g5k h TRP 149 Ca 0.00 -0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.03 3g5k h TRP 149 Cb 0.00 -0.35 -0.04 0.00 -0.51 0.00 0.00 29.16 28.26 3g5k h TRP 149 CO 0.00 0.76 0.37 0.00 -1.03 0.00 0.00 178.44 178.54 3g5k h ALA 150 N 1.36 0.81 -0.75 2.65 0.00 -1.75 -1.09 119.26 120.48 3g5k h ALA 150 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3g5k h ALA 150 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3g5k h ALA 150 CO -0.04 0.08 0.47 0.00 0.00 0.00 0.00 179.25 179.76 3g5k h ALA 151 N 1.29 1.42 -0.46 0.00 0.00 -1.16 -1.51 119.26 118.84 3g5k h ALA 151 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3g5k h ALA 151 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3g5k h ALA 151 CO -0.13 0.52 0.24 -0.09 0.00 0.00 0.00 179.25 179.79 3g5k h ARG 152 N 1.03 0.65 -0.39 0.00 2.43 -0.55 -1.26 114.38 116.30 3g5k h ARG 152 Ca 0.27 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3g5k h ARG 152 Cb -0.07 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3g5k h ARG 152 CO -0.05 0.54 0.22 0.82 -1.51 0.00 0.00 179.97 179.99 3g5k h ILE 153 N 0.60 1.14 -0.62 1.20 2.04 -0.87 -0.91 117.51 120.09 3g5k h ILE 153 Ca 0.16 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.75 3g5k h ILE 153 Cb 0.09 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 3g5k h ILE 153 CO -0.02 0.14 0.30 0.40 0.00 0.00 0.00 178.15 178.97 3g5k h ILE 154 N 0.50 0.89 -0.34 -0.67 2.04 -1.15 -1.19 117.51 117.59 3g5k h ILE 154 Ca 0.14 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 3g5k h ILE 154 Cb 0.03 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3g5k h ILE 154 CO -0.02 0.10 -0.02 1.56 0.00 0.00 0.00 178.15 179.77 3g5k h GLN 155 N 0.55 0.62 -0.48 2.37 4.20 -0.83 0.72 115.11 122.25 3g5k h GLN 155 Ca 0.29 -0.21 0.03 0.00 0.06 0.00 0.00 58.65 58.83 3g5k h GLN 155 Cb 0.26 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 3g5k h GLN 155 CO -0.23 0.75 0.26 1.25 -0.67 0.00 0.00 178.83 180.19 3g5k h HIS 156 N 0.42 0.48 -0.25 2.96 2.76 -0.89 -0.31 115.15 120.32 3g5k h HIS 156 Ca 0.09 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.09 3g5k h HIS 156 Cb 0.48 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.30 3g5k h HIS 156 CO 0.04 0.26 -0.60 1.49 -1.30 0.00 0.00 177.93 177.81 3g5k h GLU 157 N 0.52 0.83 -0.72 5.26 4.57 -1.02 -2.84 114.58 121.17 3g5k h GLU 157 Ca 0.20 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3g5k h GLU 157 Cb 0.08 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 3g5k h GLU 157 CO -0.12 1.19 0.45 0.52 -1.18 0.00 0.00 179.01 179.87 3g5k h MET 158 N 0.62 0.96 -0.67 1.92 2.86 -0.73 -1.91 114.93 117.99 3g5k h MET 158 Ca -0.00 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3g5k h MET 158 Cb 1.21 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 3g5k h MET 158 CO 0.13 0.66 0.44 -0.44 1.06 0.00 0.00 176.91 178.76 3g5k h ASP 159 N 0.99 0.76 -0.13 1.22 3.32 -0.85 -1.02 116.42 120.72 3g5k h ASP 159 Ca 0.26 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3g5k h ASP 159 Cb -0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3g5k h ASP 159 CO -0.05 0.55 0.07 0.45 -1.72 0.00 0.00 179.24 178.54 3g5k h HIS 160 N 0.90 0.20 0.00 4.55 3.86 -1.12 -0.28 115.15 123.26 3g5k h HIS 160 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3g5k h HIS 160 Cb -0.09 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.31 3g5k h HIS 160 CO -0.00 0.16 0.00 1.28 0.86 0.00 0.00 177.93 180.23 3g5k n LEU 161 N -4.48 0.78 -1.35 2.43 4.77 -0.39 -2.10 117.00 116.66 3g5k n LEU 161 Ca -0.01 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.70 3g5k n LEU 161 Cb 0.11 -0.41 0.32 0.00 -2.33 0.00 0.00 43.42 41.10 3g5k n LEU 161 CO 0.35 -0.33 0.77 0.00 -1.33 0.00 0.00 177.39 176.85 3g5k n GLN 162 N -2.28 2.76 -0.91 3.23 1.13 -0.36 -1.69 117.38 119.26 3g5k n GLN 162 Ca 0.04 -2.61 0.00 0.00 -1.94 0.00 0.00 57.00 52.49 3g5k n GLN 162 Cb 0.36 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3g5k n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g5k n GLY 163 N 1.60 0.49 3.65 1.08 0.00 -0.89 -4.62 105.19 106.49 3g5k n GLY 163 Ca 0.24 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3g5k n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5k s LEU 165 N -0.62 2.96 0.43 0.00 1.43 -1.26 -3.21 118.68 118.41 3g5k s LEU 165 Ca 0.10 -1.08 0.22 0.00 -1.03 0.00 0.00 54.13 52.34 3g5k s LEU 165 Cb -0.12 -1.27 0.92 0.00 0.03 0.00 0.00 46.19 45.76 3g5k s LEU 165 CO 0.02 -0.31 1.84 2.19 0.23 0.00 0.00 176.35 180.33 3g5k h PHE 166 N 1.77 0.00 0.00 0.29 -5.15 -1.97 -0.00 116.94 111.88 3g5k h PHE 166 Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 3g5k h PHE 166 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 3g5k h PHE 166 CO 0.70 0.27 0.05 0.44 -2.00 0.00 0.00 178.31 177.77 3g5k n ILE 167 N -3.53 0.94 0.70 0.88 -5.35 -1.26 -1.28 119.36 110.46 3g5k n ILE 167 Ca -0.00 0.75 0.12 0.00 -0.27 0.00 0.00 62.75 63.35 3g5k n ILE 167 Cb 0.42 -1.75 0.30 0.00 -1.74 0.00 0.00 39.64 36.87 3g5k n ILE 167 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3g5k n ASP 168 N -2.25 0.62 0.00 7.28 8.00 -0.01 -4.13 116.55 126.06 3g5k n ASP 168 Ca -0.01 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3g5k n ASP 168 Cb 0.08 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3g5k n ASP 168 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g5k n LYS 169 N -2.00 -0.11 -1.43 -1.24 5.02 -0.40 -5.07 118.16 112.93 3g5k n LYS 169 Ca 0.05 -0.32 -0.30 0.00 -2.02 0.00 0.00 58.31 55.72 3g5k n LYS 169 Cb 0.41 -0.80 0.09 0.00 -0.02 0.00 0.00 35.03 34.71 3g5k n LYS 169 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5k s MET 170 N -0.07 2.13 -0.61 1.97 0.23 -0.69 -4.42 119.30 117.83 3g5k s MET 170 Ca 0.00 0.84 -0.25 0.00 -1.03 0.00 0.00 55.69 55.24 3g5k s MET 170 Cb 0.00 -1.91 0.04 0.00 -1.53 0.00 0.00 34.83 31.43 3g5k s MET 170 CO 0.00 -1.64 1.08 0.34 -2.03 0.00 0.00 175.02 172.77 3g5k s ASP 171 N -3.69 6.30 0.57 -1.18 -1.08 -0.39 -4.91 116.67 112.29 3g5k s ASP 171 Ca 0.61 -0.37 0.36 0.00 -0.52 0.00 0.00 52.55 52.63 3g5k s ASP 171 Cb -0.16 -2.49 1.65 0.00 -1.46 0.00 0.00 42.92 40.46 3g5k s ASP 171 CO 0.55 -1.45 2.08 0.77 0.52 0.00 0.00 175.17 177.64 3g5k h SER 172 N 9.56 0.00 0.11 -0.34 4.64 -1.94 -0.96 113.55 124.61 3g5k h SER 172 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3g5k h SER 172 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3g5k h SER 172 CO 1.17 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.67 3g5k n ARG 173 N -3.06 0.74 -0.08 4.77 1.74 -1.26 -2.25 116.66 117.25 3g5k n ARG 173 Ca -0.00 0.01 0.07 0.00 -0.77 0.00 0.00 57.85 57.16 3g5k n ARG 173 Cb 0.24 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.29 3g5k n ARG 173 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3g5k n THR 174 N -1.06 0.34 -2.03 0.55 -2.24 -0.37 -4.98 114.28 104.50 3g5k n THR 174 Ca 0.18 -0.67 -0.41 0.00 -2.27 0.00 0.00 64.05 60.88 3g5k n THR 174 Cb 0.12 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 3g5k n THR 174 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3g5k s PHE 175 N -1.15 3.00 -0.13 4.78 5.36 -0.96 -4.35 117.98 124.54 3g5k s PHE 175 Ca 0.22 1.15 -0.19 0.00 -0.96 0.00 0.00 56.93 57.15 3g5k s PHE 175 Cb 0.14 -3.79 0.05 0.00 -0.34 0.00 0.00 43.02 39.07 3g5k s PHE 175 CO 0.19 -2.44 0.48 -0.08 -1.46 0.00 0.00 175.22 171.92 3g5k s THR 176 N -0.41 0.01 0.57 0.12 -1.32 0.18 -5.00 115.64 109.79 3g5k s THR 176 Ca 0.56 -0.11 -0.21 0.00 -1.21 0.00 0.00 61.69 60.72 3g5k s THR 176 Cb -0.41 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 3g5k s THR 176 CO 0.47 -0.06 1.33 0.59 -2.21 0.00 0.00 174.62 174.75 3g5k n ASN 177 N 2.17 2.48 0.25 8.08 3.02 -1.26 -1.34 115.26 128.65 3g5k n ASN 177 Ca -0.16 0.94 0.17 0.00 -0.03 0.00 0.00 54.58 55.50 3g5k n ASN 177 Cb 0.56 -1.57 0.78 0.00 -0.61 0.00 0.00 39.78 38.95 3g5k n ASN 177 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3g5k h VAL 178 N 1.20 0.00 -0.00 2.41 -1.51 -1.46 -1.98 116.25 114.91 3g5k h VAL 178 Ca -0.51 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3g5k h VAL 178 Cb 1.31 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3g5k h VAL 178 CO 0.56 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.90 3g5k n TYR 179 N -2.82 0.00 -4.57 5.19 0.18 -1.26 -4.62 117.16 109.26 3g5k n TYR 179 Ca -0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 3g5k n TYR 179 Cb 0.19 -0.09 -0.12 0.00 -0.38 0.00 0.00 39.34 38.95 3g5k n TYR 179 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 3g5k s TRP 180 N -2.18 2.95 0.02 -3.48 0.52 -0.75 -5.12 118.94 110.91 3g5k s TRP 180 Ca 0.42 -0.16 -0.17 0.00 0.02 0.00 0.00 56.10 56.20 3g5k s TRP 180 Cb 0.21 -1.81 0.03 0.00 -1.15 0.00 0.00 33.47 30.76 3g5k s TRP 180 CO 0.40 0.15 0.38 0.00 0.02 0.00 0.00 176.95 177.90 3g5k s MET 181 N -0.29 0.84 0.23 4.98 0.23 -1.26 -4.80 119.30 119.22 3g5k s MET 181 Ca 0.04 -0.29 -0.27 0.00 -1.03 0.00 0.00 55.69 54.15 3g5k s MET 181 Cb -0.13 0.37 -0.09 0.00 -1.53 0.00 0.00 34.83 33.46 3g5k s MET 181 CO 0.02 -0.27 0.87 0.15 -2.03 0.00 0.00 175.02 173.76 3g5k s LYS 182 N -2.05 4.64 0.09 3.16 1.02 -1.26 -5.08 119.74 120.27 3g5k s LYS 182 Ca -0.08 1.28 0.02 0.00 0.02 0.00 0.00 55.97 57.21 3g5k s LYS 182 Cb -0.02 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 3g5k s LYS 182 CO 0.00 0.47 -0.07 0.14 -0.92 0.00 0.00 175.35 174.97 3g5k s VAL 183 N -1.30 0.71 0.09 3.17 -7.23 -1.26 -5.13 120.40 109.46 3g5k s VAL 183 Ca 0.41 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 3g5k s VAL 183 Cb -0.22 -1.42 -0.06 0.00 0.56 0.00 0.00 36.38 35.24 3g5k s VAL 183 CO 0.27 -0.72 1.13 0.20 -0.31 0.00 0.00 175.10 175.67 3g5k s ASN 184 N -2.66 7.19 0.00 4.85 0.01 -1.26 -5.36 114.94 117.70 3g5k s ASN 184 Ca 0.07 1.99 0.13 0.00 -0.71 0.00 0.00 52.86 54.34 3g5k s ASN 184 Cb 0.01 -2.59 0.80 0.00 0.41 0.00 0.00 41.25 39.88 3g5k s ASN 184 CO -0.03 -0.35 1.22 0.47 -1.51 0.00 0.00 177.10 176.90