#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 2.01 0.32 1.57 1.00 -1.26 -5.14 119.30 117.80 3g5k s MET 4 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 55.69 54.88 3g5k s MET 4 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 34.83 32.96 3g5k s MET 4 CO 0.00 0.44 0.36 0.45 0.00 0.00 0.00 175.02 176.28 3g5k s SER 5 N -0.39 1.12 0.12 3.03 0.15 -1.26 -5.17 113.70 111.30 3g5k s SER 5 Ca 0.05 -1.57 0.08 0.00 0.70 0.00 0.00 55.95 55.21 3g5k s SER 5 Cb -0.10 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 3g5k s SER 5 CO 0.00 -1.16 -0.14 -0.36 1.20 0.00 0.00 173.24 172.79 3g5k s PHE 6 N -3.35 2.62 0.09 3.44 0.08 -1.26 -5.14 117.98 114.47 3g5k s PHE 6 Ca 0.35 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.21 3g5k s PHE 6 Cb 0.01 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 3g5k s PHE 6 CO 0.22 0.42 -0.09 0.45 -0.10 0.00 0.00 175.22 176.13 3g5k s SER 7 N -2.28 1.25 0.03 1.36 0.15 -1.26 -5.16 113.70 107.79 3g5k s SER 7 Ca 0.20 -0.82 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 3g5k s SER 7 Cb -0.10 0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 3g5k s SER 7 CO 0.12 -0.31 0.00 -1.38 1.20 0.00 0.00 173.24 172.87 3g5k s HIS 8 N -2.59 0.27 -0.28 3.44 -3.43 -1.26 -5.12 115.29 106.32 3g5k s HIS 8 Ca 0.04 -0.58 -0.17 0.00 -0.80 0.00 0.00 55.06 53.55 3g5k s HIS 8 Cb -0.02 -0.20 -0.02 0.00 -1.43 0.00 0.00 32.58 30.90 3g5k s HIS 8 CO -0.01 -0.25 0.48 0.08 -2.00 0.00 0.00 174.74 173.04 3g5k s VAL 9 N -1.99 5.08 0.39 -5.38 1.01 -1.26 -4.56 120.40 113.68 3g5k s VAL 9 Ca -0.11 0.68 -0.28 0.00 0.00 0.00 0.00 61.98 62.28 3g5k s VAL 9 Cb -0.06 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 3g5k s VAL 9 CO -0.03 0.03 1.47 0.00 0.00 0.00 0.00 175.10 176.57 3g5k s GLN 11 N -2.14 2.97 0.23 0.00 -1.52 -1.26 -4.35 119.66 113.59 3g5k s GLN 11 Ca 0.54 -0.99 -0.31 0.00 -1.95 0.00 0.00 55.36 52.66 3g5k s GLN 11 Cb -0.48 -2.61 -0.11 0.00 -0.22 0.00 0.00 33.01 29.60 3g5k s GLN 11 CO 0.63 0.42 1.55 0.54 -0.25 0.00 0.00 175.29 178.17 3g5k s VAL 12 N -2.05 2.44 0.00 1.09 0.11 0.09 -1.79 120.40 120.29 3g5k s VAL 12 Ca 0.33 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 3g5k s VAL 12 Cb -0.08 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 3g5k s VAL 12 CO 0.25 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 3g5k n GLY 13 N 2.87 1.49 3.66 6.54 0.00 -1.26 -5.08 105.19 113.41 3g5k n GLY 13 Ca 0.10 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.55 6.71 0.58 1.61 -1.08 -0.74 -4.88 116.67 118.32 3g5k s ASP 14 Ca 0.00 2.10 0.39 0.00 -0.52 0.00 0.00 52.55 54.52 3g5k s ASP 14 Cb 0.00 -2.53 2.11 0.00 -1.46 0.00 0.00 42.92 41.04 3g5k s ASP 14 CO 0.00 -0.91 2.19 1.55 0.52 0.00 0.00 175.17 178.52 3g5k h PRO 15 N 9.34 0.00 -0.04 4.34 0.13 -1.98 -1.54 132.00 142.25 3g5k h PRO 15 Ca -0.37 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 3g5k h PRO 15 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3g5k h PRO 15 CO 0.96 0.00 0.03 -0.24 -0.23 0.00 0.00 178.00 178.52 3g5k h VAL 16 N 0.00 0.92 0.00 1.56 3.04 -1.92 -1.09 116.25 118.76 3g5k h VAL 16 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g5k h VAL 16 Cb 0.01 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 3g5k h VAL 16 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 3g5k n LEU 17 N -4.44 0.78 -0.55 3.16 4.77 -0.58 -3.22 117.00 116.92 3g5k n LEU 17 Ca -0.02 0.62 0.06 0.00 -0.03 0.00 0.00 56.01 56.64 3g5k n LEU 17 Cb 0.13 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 3g5k n LEU 17 CO 0.33 -0.34 0.49 0.54 -1.33 0.00 0.00 177.39 177.08 3g5k n ARG 18 N -2.28 1.17 -2.04 3.23 3.00 -0.44 -4.18 116.66 115.12 3g5k n ARG 18 Ca 0.04 -1.43 -0.28 0.00 -0.01 0.00 0.00 57.85 56.18 3g5k n ARG 18 Cb 0.35 -1.25 0.09 0.00 0.00 0.00 0.00 32.46 31.65 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 1.66 -0.25 -0.13 0.00 -1.03 -4.58 107.32 101.93 3g5k s GLY 19 Ca 0.17 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 43.95 3g5k s GLY 19 CO 0.16 -0.37 0.08 0.14 0.00 0.00 0.00 173.10 173.12 3g5k s VAL 20 N -3.48 4.41 0.49 1.40 1.01 -1.26 -2.36 120.40 120.60 3g5k s VAL 20 Ca 0.63 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 3g5k s VAL 20 Cb -0.10 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 3g5k s VAL 20 CO 0.48 0.32 1.34 0.00 0.00 0.00 0.00 175.10 177.24 3g5k s ALA 21 N 1.63 3.02 0.43 5.51 0.00 -0.55 -4.97 121.76 126.84 3g5k s ALA 21 Ca 0.06 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 3g5k s ALA 21 Cb -0.15 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 3g5k s ALA 21 CO 0.04 -1.15 0.89 0.00 0.00 0.00 0.00 175.76 175.55 3g5k s ALA 22 N -1.30 3.15 0.61 0.00 0.00 -0.56 -4.60 121.76 119.06 3g5k s ALA 22 Ca 0.65 0.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 3g5k s ALA 22 Cb -0.39 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3g5k s ALA 22 CO 0.48 0.03 1.08 -1.25 0.00 0.00 0.00 175.76 176.10 3g5k s PRO 23 N -3.53 3.14 -0.09 0.00 0.04 -1.26 -0.63 135.00 132.67 3g5k s PRO 23 Ca 0.58 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 3g5k s PRO 23 Cb -0.10 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3g5k s PRO 23 CO 0.22 -0.97 1.06 0.08 0.04 0.00 0.00 177.00 177.44 3g5k s VAL 24 N -2.39 4.63 0.64 -0.36 1.01 -1.26 -4.79 120.40 117.88 3g5k s VAL 24 Ca 0.65 1.91 -0.15 0.00 0.00 0.00 0.00 61.98 64.39 3g5k s VAL 24 Cb -0.18 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 3g5k s VAL 24 CO 0.38 0.01 1.08 -1.61 0.00 0.00 0.00 175.10 174.96 3g5k s GLU 25 N 2.05 3.01 0.36 2.72 2.02 -1.26 -4.92 118.70 122.67 3g5k s GLU 25 Ca 0.51 1.25 0.04 0.00 0.02 0.00 0.00 54.97 56.79 3g5k s GLU 25 Cb -0.20 -1.99 0.69 0.00 0.10 0.00 0.00 34.13 32.73 3g5k s GLU 25 CO 0.19 -1.07 1.98 -0.09 0.02 0.00 0.00 175.26 176.29 3g5k h ARG 26 N 0.06 0.78 -0.01 1.61 2.43 -1.98 0.16 114.38 117.43 3g5k h ARG 26 Ca -0.46 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3g5k h ARG 26 Cb 1.23 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3g5k h ARG 26 CO 0.56 0.52 0.01 0.00 -1.51 0.00 0.00 179.97 179.55 3g5k h ALA 27 N 1.60 1.33 0.00 2.80 0.00 -2.04 -2.39 119.26 120.56 3g5k h ALA 27 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3g5k h ALA 27 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3g5k h ALA 27 CO -0.08 -0.02 -1.11 1.04 0.00 0.00 0.00 179.25 179.08 3g5k n GLN 28 N -3.53 0.26 -1.95 0.00 3.00 0.56 -4.79 117.38 110.93 3g5k n GLN 28 Ca -0.03 -0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 3g5k n GLN 28 Cb 0.09 -1.56 -0.00 0.00 0.00 0.00 0.00 30.24 28.76 3g5k n GLN 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3g5k s LEU 29 N -3.78 4.27 0.00 1.08 1.43 -0.90 -1.36 118.68 119.41 3g5k s LEU 29 Ca 0.03 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 3g5k s LEU 29 Cb 0.15 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3g5k s LEU 29 CO 0.82 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 177.16 3g5k n GLY 30 N 0.62 1.51 3.85 -3.19 0.00 0.36 -4.94 105.19 103.40 3g5k n GLY 30 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 1.66 0.21 -0.02 0.00 -0.47 -4.95 107.32 101.76 3g5k s GLY 31 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 3g5k s GLY 31 CO 0.00 0.24 1.60 -0.56 0.00 0.00 0.00 173.10 174.38 3g5k h PRO 32 N -0.57 0.68 -0.47 2.90 0.13 -1.95 -1.20 132.00 131.52 3g5k h PRO 32 Ca -0.44 -0.31 0.01 0.00 -0.87 0.00 0.00 66.00 64.38 3g5k h PRO 32 Cb 1.21 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3g5k h PRO 32 CO 0.60 0.91 0.30 1.49 -0.23 0.00 0.00 178.00 181.07 3g5k h GLU 33 N 0.57 0.60 -0.47 0.86 4.81 -1.96 -0.36 114.58 118.63 3g5k h GLU 33 Ca 0.06 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3g5k h GLU 33 Cb 0.83 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3g5k h GLU 33 CO 0.07 0.40 0.13 1.25 -0.73 0.00 0.00 179.01 180.13 3g5k h LEU 34 N 0.62 0.64 -0.74 1.64 5.85 -1.78 -2.24 115.31 119.31 3g5k h LEU 34 Ca 0.17 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3g5k h LEU 34 Cb -0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3g5k h LEU 34 CO -0.05 0.63 -0.35 -0.61 -0.34 0.00 0.00 178.44 177.72 3g5k h GLN 35 N 0.68 0.56 -0.51 1.25 4.15 -0.60 -0.29 115.11 120.36 3g5k h GLN 35 Ca 0.16 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3g5k h GLN 35 Cb 0.22 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3g5k h GLN 35 CO -0.01 0.83 0.32 0.00 -1.93 0.00 0.00 178.83 178.05 3g5k h ARG 36 N 0.47 0.68 -0.15 1.69 3.08 -0.77 -0.99 114.38 118.39 3g5k h ARG 36 Ca 0.05 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3g5k h ARG 36 Cb 0.83 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3g5k h ARG 36 CO 0.07 0.47 0.02 1.25 -1.07 0.00 0.00 179.97 180.70 3g5k h LEU 37 N 0.68 0.25 -0.86 3.04 5.85 -0.89 -1.06 115.31 122.33 3g5k h LEU 37 Ca 0.18 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3g5k h LEU 37 Cb -0.05 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3g5k h LEU 37 CO -0.04 0.47 0.05 0.71 -0.34 0.00 0.00 178.44 179.29 3g5k h THR 38 N 0.03 1.25 -0.73 1.05 1.35 -0.94 -0.24 112.91 114.69 3g5k h THR 38 Ca 0.05 -0.99 -0.06 0.00 -0.55 0.00 0.00 66.41 64.85 3g5k h THR 38 Cb 0.33 0.78 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 3g5k h THR 38 CO 0.00 0.36 0.22 1.56 -0.25 0.00 0.00 175.52 177.42 3g5k h GLN 39 N 0.84 1.13 -0.33 4.72 1.08 -1.05 -1.06 115.11 120.44 3g5k h GLN 39 Ca 0.17 -0.24 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 3g5k h GLN 39 Cb 0.43 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3g5k h GLN 39 CO 0.02 0.96 -0.25 -0.09 -0.95 0.00 0.00 178.83 178.52 3g5k h ARG 40 N 1.08 0.76 -0.39 1.46 2.43 -0.79 -0.89 114.38 118.04 3g5k h ARG 40 Ca 0.23 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3g5k h ARG 40 Cb 0.31 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3g5k h ARG 40 CO -0.01 0.99 0.21 1.25 -1.51 0.00 0.00 179.97 180.91 3g5k h LEU 41 N 0.53 0.49 -0.76 3.80 5.85 -0.86 -0.64 115.31 123.72 3g5k h LEU 41 Ca 0.06 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3g5k h LEU 41 Cb 0.82 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3g5k h LEU 41 CO 0.07 0.44 -0.38 0.58 -0.34 0.00 0.00 178.44 178.80 3g5k h VAL 42 N 0.50 1.30 -0.66 1.05 2.07 -1.11 -1.39 116.25 118.01 3g5k h VAL 42 Ca 0.14 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 3g5k h VAL 42 Cb 0.06 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3g5k h VAL 42 CO -0.02 0.48 0.36 -0.61 0.02 0.00 0.00 177.57 177.80 3g5k h GLN 43 N 0.42 0.93 -0.41 1.57 4.15 -0.79 -0.00 115.11 120.97 3g5k h GLN 43 Ca 0.04 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 3g5k h GLN 43 Cb 0.85 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3g5k h GLN 43 CO 0.07 0.70 -0.05 0.28 -1.93 0.00 0.00 178.83 177.90 3g5k h VAL 44 N 0.91 1.27 -0.56 2.39 2.07 -0.97 0.96 116.25 122.32 3g5k h VAL 44 Ca 0.23 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.71 3g5k h VAL 44 Cb 0.04 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3g5k h VAL 44 CO -0.04 0.37 0.24 -0.03 0.02 0.00 0.00 177.57 178.14 3g5k h MET 45 N 0.58 0.45 -0.16 1.57 1.85 -1.01 -0.95 114.93 117.25 3g5k h MET 45 Ca 0.11 -0.03 -0.17 0.00 -0.61 0.00 0.00 59.70 59.01 3g5k h MET 45 Cb 0.55 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.48 3g5k h MET 45 CO 0.03 0.30 -0.60 0.00 -0.40 0.00 0.00 176.91 176.24 3g5k h ARG 46 N 0.46 0.52 -0.45 0.39 3.08 -0.68 -2.08 114.38 115.62 3g5k h ARG 46 Ca 0.26 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3g5k h ARG 46 Cb 0.25 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3g5k h ARG 46 CO -0.23 0.96 -0.05 0.00 -1.07 0.00 0.00 179.97 179.58 3g5k h ARG 47 N 0.39 0.77 -0.00 0.04 3.08 -0.42 -2.52 114.38 115.71 3g5k h ARG 47 Ca -0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3g5k h ARG 47 Cb 1.15 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3g5k h ARG 47 CO 0.11 0.81 -0.07 0.54 -1.07 0.00 0.00 179.97 180.29 3g5k n ARG 48 N -4.19 0.83 -3.38 0.04 5.12 -0.40 -4.92 116.66 109.75 3g5k n ARG 48 Ca 0.02 -0.25 -0.25 0.00 -1.93 0.00 0.00 57.85 55.44 3g5k n ARG 48 Cb 0.33 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 30.15 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 -0.86 -4.58 -3.89 5.56 1.74 -0.82 -4.99 116.66 108.82 3g5k n ARG 49 Ca 0.17 0.66 -0.22 0.00 -0.77 0.00 0.00 57.85 57.69 3g5k n ARG 49 Cb 0.25 -5.48 -0.02 0.00 -1.02 0.00 0.00 32.46 26.20 3g5k n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5k n VAL 51 N -1.37 0.00 -3.59 0.00 0.24 -1.26 -4.72 118.33 107.62 3g5k n VAL 51 Ca -0.08 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 3g5k n VAL 51 Cb 0.57 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.53 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 -2.74 -0.41 -0.13 7.63 0.00 -1.26 -0.94 107.32 109.47 3g5k s GLY 52 Ca 0.16 0.68 -0.26 0.00 0.00 0.00 0.00 44.72 45.29 3g5k s GLY 52 CO 0.65 0.38 0.64 -2.27 0.00 0.00 0.00 173.10 172.50 3g5k s LEU 53 N -1.75 -0.47 0.19 0.66 2.96 -0.55 -4.98 118.68 114.74 3g5k s LEU 53 Ca -0.07 0.92 0.11 0.00 -0.22 0.00 0.00 54.13 54.86 3g5k s LEU 53 Cb -0.01 2.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.95 3g5k s LEU 53 CO 0.01 -0.44 -0.23 -0.94 -1.32 0.00 0.00 176.35 173.43 3g5k s SER 54 N -0.57 3.28 0.46 3.68 1.04 -1.26 -0.76 113.70 119.57 3g5k s SER 54 Ca -0.07 -0.86 0.12 0.00 0.48 0.00 0.00 55.95 55.62 3g5k s SER 54 Cb -0.02 -0.23 1.06 0.00 0.10 0.00 0.00 66.02 66.92 3g5k s SER 54 CO 0.06 0.09 2.09 0.00 0.98 0.00 0.00 173.24 176.46 3g5k h ALA 55 N 3.24 1.88 0.00 5.32 0.00 -1.12 -1.18 119.26 127.40 3g5k h ALA 55 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3g5k h ALA 55 Cb 1.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3g5k h ALA 55 CO 0.48 0.09 -0.04 -1.35 0.00 0.00 0.00 179.25 178.43 3g5k h PRO 56 N 0.30 0.00 0.00 0.00 0.11 -1.55 0.66 132.00 131.52 3g5k h PRO 56 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3g5k h PRO 56 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3g5k h PRO 56 CO -0.02 0.04 0.00 1.04 -0.21 0.00 0.00 178.00 178.85 3g5k n GLN 57 N -4.24 0.08 -0.50 1.05 6.02 -0.45 -0.90 117.38 118.45 3g5k n GLN 57 Ca -0.03 0.26 0.09 0.00 -0.01 0.00 0.00 57.00 57.32 3g5k n GLN 57 Cb 0.13 -1.63 0.31 0.00 1.02 0.00 0.00 30.24 30.07 3g5k n GLN 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3g5k n LEU 58 N -1.77 4.29 0.00 1.08 4.77 0.09 -0.22 117.00 125.23 3g5k n LEU 58 Ca 0.04 -2.36 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 3g5k n LEU 58 Cb 0.23 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3g5k n LEU 58 CO 0.18 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3g5k n GLY 59 N 0.98 0.77 3.13 -0.72 0.00 -0.08 -4.97 105.19 104.30 3g5k n GLY 59 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.08 2.52 -1.39 1.61 1.01 -0.41 -4.96 120.40 116.70 3g5k s VAL 60 Ca 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 61.98 60.54 3g5k s VAL 60 Cb 0.00 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 34.08 3g5k s VAL 60 CO 0.00 0.07 2.37 -0.81 0.00 0.00 0.00 175.10 176.73 3g5k n PRO 61 N 4.55 4.01 -4.22 2.72 -0.04 -1.26 -1.73 135.00 139.04 3g5k n PRO 61 Ca -0.15 -3.13 -0.19 0.00 -0.04 0.00 0.00 63.50 59.99 3g5k n PRO 61 Cb 0.44 -2.80 -0.12 0.00 -0.04 0.00 0.00 33.50 30.98 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 0.33 0.84 -1.29 0.54 0.52 -1.26 -1.50 118.95 117.13 3g5k s ARG 62 Ca 0.53 -0.89 -0.18 0.00 -0.52 0.00 0.00 55.73 54.67 3g5k s ARG 62 Cb 0.16 -0.84 0.07 0.00 0.52 0.00 0.00 34.95 34.85 3g5k s ARG 62 CO -0.06 0.19 1.72 -0.65 0.02 0.00 0.00 175.30 176.52 3g5k s GLN 63 N -1.55 3.97 -0.07 3.54 -0.21 0.20 -4.44 119.66 121.10 3g5k s GLN 63 Ca -0.01 -1.96 -0.04 0.00 0.02 0.00 0.00 55.36 53.37 3g5k s GLN 63 Cb -0.09 -5.53 0.04 0.00 1.00 0.00 0.00 33.01 28.43 3g5k s GLN 63 CO 0.02 -2.25 0.17 0.08 -2.12 0.00 0.00 175.29 171.19 3g5k s VAL 64 N 4.25 -0.04 0.09 1.09 1.01 -1.26 -0.89 120.40 124.65 3g5k s VAL 64 Ca 0.54 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 3g5k s VAL 64 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 3g5k s VAL 64 CO 0.07 0.06 0.09 -1.48 0.00 0.00 0.00 175.10 173.84 3g5k s LEU 65 N 1.09 1.86 0.06 3.92 0.05 -0.70 -0.67 118.68 124.29 3g5k s LEU 65 Ca -0.08 -0.90 0.03 0.00 0.05 0.00 0.00 54.13 53.23 3g5k s LEU 65 Cb -0.10 0.60 -0.03 0.00 -2.05 0.00 0.00 46.19 44.61 3g5k s LEU 65 CO -0.06 -0.69 -0.10 0.00 -0.55 0.00 0.00 176.35 174.95 3g5k s ALA 66 N -3.92 0.85 -0.05 1.48 0.00 0.06 -0.89 121.76 119.28 3g5k s ALA 66 Ca 0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3g5k s ALA 66 Cb 0.06 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3g5k s ALA 66 CO -0.08 0.02 0.13 -0.51 0.00 0.00 0.00 175.76 175.32 3g5k s LEU 67 N -1.84 1.12 -0.28 0.00 1.43 -0.21 -1.48 118.68 117.43 3g5k s LEU 67 Ca -0.04 0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 53.11 3g5k s LEU 67 Cb -0.08 0.38 0.09 0.00 0.03 0.00 0.00 46.19 46.61 3g5k s LEU 67 CO 0.01 -0.10 0.82 -0.70 0.23 0.00 0.00 176.35 176.60 3g5k s GLU 68 N 0.63 0.67 -0.36 1.70 2.12 -0.12 -0.99 118.70 122.36 3g5k s GLU 68 Ca -0.05 0.93 -0.00 0.00 0.36 0.00 0.00 54.97 56.21 3g5k s GLU 68 Cb -0.06 0.26 0.12 0.00 0.26 0.00 0.00 34.13 34.71 3g5k s GLU 68 CO -0.03 -0.10 0.18 -1.17 -0.54 0.00 0.00 175.26 173.60 3g5k s LEU 69 N 0.79 1.80 0.66 2.70 2.96 -0.38 -4.38 118.68 122.83 3g5k s LEU 69 Ca -0.03 -2.05 -0.16 0.00 -0.22 0.00 0.00 54.13 51.67 3g5k s LEU 69 Cb -0.05 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.93 3g5k s LEU 69 CO -0.08 -0.34 1.16 -2.84 -1.32 0.00 0.00 176.35 172.93 3g5k s PRO 70 N 1.14 2.66 0.29 0.98 0.02 -1.26 -0.89 135.00 137.94 3g5k s PRO 70 Ca 0.14 1.61 -0.01 0.00 0.02 0.00 0.00 61.00 62.77 3g5k s PRO 70 Cb -0.21 -1.91 0.47 0.00 0.02 0.00 0.00 34.50 32.87 3g5k s PRO 70 CO -0.11 -1.40 1.91 1.49 -0.33 0.00 0.00 177.00 178.55 3g5k h GLU 71 N 0.18 1.07 -0.09 5.54 4.81 -1.96 -0.42 114.58 123.72 3g5k h GLU 71 Ca -0.48 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3g5k h GLU 71 Cb 1.27 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 3g5k h GLU 71 CO 0.53 0.71 -0.00 0.00 -0.73 0.00 0.00 179.01 179.51 3g5k h ALA 72 N 1.48 0.12 -0.78 2.92 0.00 -1.98 0.47 119.26 121.49 3g5k h ALA 72 Ca 0.39 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3g5k h ALA 72 Cb 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3g5k h ALA 72 CO -0.14 -0.20 0.44 1.25 0.00 0.00 0.00 179.25 180.60 3g5k h LEU 73 N -0.13 0.64 -0.77 0.00 5.85 -1.89 -0.77 115.31 118.23 3g5k h LEU 73 Ca 0.02 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3g5k h LEU 73 Cb 0.35 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3g5k h LEU 73 CO 0.00 0.38 -0.31 0.00 -0.34 0.00 0.00 178.44 178.18 3g5k n ARG 75 N -4.08 0.21 0.24 0.00 1.74 0.15 -2.64 116.66 112.28 3g5k n ARG 75 Ca -0.01 0.12 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 3g5k n ARG 75 Cb 0.46 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 30.97 3g5k n ARG 75 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3g5k h GLU 76 N 0.00 0.00 -6.05 5.56 4.81 -1.17 -3.41 114.58 114.33 3g5k h GLU 76 Ca 0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 3g5k h GLU 76 Cb 0.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3g5k h GLU 76 CO 0.00 0.19 0.12 0.00 -0.73 0.00 0.00 179.01 178.59 3g5k n PRO 78 N 3.88 0.26 -0.19 0.00 -0.04 -1.26 -4.65 135.00 133.00 3g5k n PRO 78 Ca -0.00 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 3g5k n PRO 78 Cb 0.51 -2.40 0.19 0.00 -0.04 0.00 0.00 33.50 31.76 3g5k n PRO 78 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3g5k h PRO 79 N -0.76 0.96 -0.34 0.54 0.11 -1.97 -1.16 132.00 129.38 3g5k h PRO 79 Ca -0.47 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.43 3g5k h PRO 79 Cb 1.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3g5k h PRO 79 CO 0.46 0.75 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.81 3g5k h ARG 80 N 0.95 0.67 -0.58 1.05 2.43 -1.99 -0.42 114.38 116.49 3g5k h ARG 80 Ca 0.23 -0.27 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3g5k h ARG 80 Cb 0.11 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3g5k h ARG 80 CO -0.03 0.85 -0.05 1.96 -1.51 0.00 0.00 179.97 181.19 3g5k h GLN 81 N 0.45 1.05 -0.72 0.20 4.20 -1.83 -1.79 115.11 116.67 3g5k h GLN 81 Ca 0.08 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 3g5k h GLN 81 Cb 0.61 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3g5k h GLN 81 CO 0.04 1.05 0.25 0.00 -0.67 0.00 0.00 178.83 179.50 3g5k h ARG 82 N 0.95 1.08 -0.53 1.46 3.08 -1.05 -0.99 114.38 118.39 3g5k h ARG 82 Ca 0.16 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3g5k h ARG 82 Cb 0.61 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3g5k h ARG 82 CO 0.04 0.90 0.10 0.00 -1.07 0.00 0.00 179.97 179.95 3g5k h ALA 83 N 1.22 0.70 -0.63 0.04 0.00 -0.99 0.40 119.26 120.00 3g5k h ALA 83 Ca 0.24 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3g5k h ALA 83 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3g5k h ALA 83 CO -0.01 0.42 0.12 -0.07 0.00 0.00 0.00 179.25 179.70 3g5k h LEU 84 N 0.75 1.00 -0.10 0.00 3.38 -0.98 -2.46 115.31 116.91 3g5k h LEU 84 Ca 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3g5k h LEU 84 Cb 0.38 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3g5k h LEU 84 CO 0.01 1.00 -0.10 0.54 0.09 0.00 0.00 178.44 179.97 3g5k n ARG 85 N -4.27 0.39 -3.60 1.13 1.74 -0.40 -4.95 116.66 106.69 3g5k n ARG 85 Ca 0.04 -0.10 -0.21 0.00 -0.77 0.00 0.00 57.85 56.81 3g5k n ARG 85 Cb 0.28 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 3g5k n ARG 85 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3g5k n GLN 86 N -1.22 -4.46 -3.62 5.56 7.27 -0.00 -2.40 117.38 118.50 3g5k n GLN 86 Ca 0.12 0.67 -0.39 0.00 0.07 0.00 0.00 57.00 57.46 3g5k n GLN 86 Cb 0.29 -5.25 -0.11 0.00 2.41 0.00 0.00 30.24 27.58 3g5k n GLN 86 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 3g5k s MET 87 N -5.69 3.34 0.08 3.69 1.75 -0.40 -2.26 119.30 119.81 3g5k s MET 87 Ca 0.11 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 53.86 3g5k s MET 87 Cb -0.03 -3.64 -0.03 0.00 2.84 0.00 0.00 34.83 33.98 3g5k s MET 87 CO 0.80 -0.44 -0.11 -1.21 -0.65 0.00 0.00 175.02 173.40 3g5k s GLU 88 N 1.64 0.79 0.70 4.11 2.02 -1.26 -4.81 118.70 121.89 3g5k s GLU 88 Ca 0.05 -1.03 -0.11 0.00 0.02 0.00 0.00 54.97 53.90 3g5k s GLU 88 Cb -0.17 -0.60 0.01 0.00 0.10 0.00 0.00 34.13 33.47 3g5k s GLU 88 CO 0.07 0.11 1.06 -1.25 0.02 0.00 0.00 175.26 175.28 3g5k s PRO 89 N -2.26 2.85 -0.09 0.39 0.04 -1.26 -4.88 135.00 129.79 3g5k s PRO 89 Ca 0.01 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 61.83 3g5k s PRO 89 Cb -0.06 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.55 3g5k s PRO 89 CO 0.01 -1.17 0.50 -0.59 0.04 0.00 0.00 177.00 175.79 3g5k s PHE 90 N -3.01 -0.47 0.76 0.56 -0.71 -0.07 -4.98 117.98 110.06 3g5k s PHE 90 Ca 0.59 0.93 -0.11 0.00 -1.04 0.00 0.00 56.93 57.30 3g5k s PHE 90 Cb -0.14 0.23 0.04 0.00 -1.21 0.00 0.00 43.02 41.94 3g5k s PHE 90 CO 0.55 -0.42 1.08 -1.25 -1.34 0.00 0.00 175.22 173.84 3g5k s PRO 91 N -0.73 2.42 0.19 1.99 0.04 -1.26 -1.25 135.00 136.40 3g5k s PRO 91 Ca -0.08 0.81 -0.33 0.00 0.04 0.00 0.00 61.00 61.44 3g5k s PRO 91 Cb -0.03 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 3g5k s PRO 91 CO 0.05 -1.42 1.60 -0.11 0.04 0.00 0.00 177.00 177.16 3g5k n LEU 92 N -3.33 3.40 -4.06 -3.56 7.94 -1.26 -4.64 117.00 111.49 3g5k n LEU 92 Ca 0.07 1.09 -0.23 0.00 -1.11 0.00 0.00 56.01 55.83 3g5k n LEU 92 Cb 0.55 -1.47 -0.16 0.00 0.53 0.00 0.00 43.42 42.87 3g5k n LEU 92 CO 0.56 -0.16 -0.47 -0.13 -1.11 0.00 0.00 177.39 176.08 3g5k s ARG 93 N 0.79 1.36 -0.16 1.96 3.00 -0.16 -5.00 118.95 120.73 3g5k s ARG 93 Ca 0.76 -0.45 -0.02 0.00 0.00 0.00 0.00 55.73 56.03 3g5k s ARG 93 Cb -0.62 -1.21 -0.01 0.00 0.00 0.00 0.00 34.95 33.10 3g5k s ARG 93 CO 0.38 0.18 -0.10 0.08 0.00 0.00 0.00 175.30 175.83 3g5k s VAL 94 N 0.12 3.15 -0.04 3.52 1.01 -1.26 -1.04 120.40 125.86 3g5k s VAL 94 Ca -0.03 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3g5k s VAL 94 Cb -0.10 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3g5k s VAL 94 CO 0.01 0.49 -0.08 -0.36 0.00 0.00 0.00 175.10 175.16 3g5k s PHE 95 N 0.77 2.87 -0.06 5.22 0.40 -0.07 -4.37 117.98 122.74 3g5k s PHE 95 Ca -0.04 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.31 3g5k s PHE 95 Cb -0.15 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 3g5k s PHE 95 CO 0.01 0.31 -0.24 0.08 0.70 0.00 0.00 175.22 176.09 3g5k s VAL 96 N -0.85 1.97 -1.41 -0.44 1.01 0.77 -1.72 120.40 119.73 3g5k s VAL 96 Ca 0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 3g5k s VAL 96 Cb -0.11 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3g5k s VAL 96 CO 0.03 0.55 0.36 0.59 0.00 0.00 0.00 175.10 176.63 3g5k n ASN 97 N 3.02 -0.65 -4.80 3.32 3.02 -0.06 -1.20 115.26 117.91 3g5k n ASN 97 Ca -0.18 -1.09 -0.33 0.00 -0.03 0.00 0.00 54.58 52.95 3g5k n ASN 97 Cb 0.52 -2.63 0.01 0.00 -0.61 0.00 0.00 39.78 37.07 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 3.35 0.18 3.52 0.04 -1.26 -4.65 135.00 129.41 3g5k s PRO 98 Ca 0.07 1.28 0.08 0.00 0.04 0.00 0.00 61.00 62.47 3g5k s PRO 98 Cb -0.03 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3g5k s PRO 98 CO 0.92 -0.79 -0.17 -1.54 0.04 0.00 0.00 177.00 175.46 3g5k s SER 99 N -2.57 2.65 -0.02 6.66 1.04 0.98 -4.97 113.70 117.48 3g5k s SER 99 Ca 0.65 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 56.24 3g5k s SER 99 Cb -0.17 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 3g5k s SER 99 CO 0.34 -0.08 -0.26 -0.22 0.98 0.00 0.00 173.24 174.00 3g5k s LEU 100 N -2.91 2.06 -0.04 2.42 0.20 -1.26 -0.92 118.68 118.22 3g5k s LEU 100 Ca 0.18 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.57 3g5k s LEU 100 Cb -0.04 -1.32 -0.00 0.00 -0.43 0.00 0.00 46.19 44.40 3g5k s LEU 100 CO 0.07 0.31 -0.16 -0.60 -0.29 0.00 0.00 176.35 175.68 3g5k s ARG 101 N -0.63 1.73 -0.14 1.98 3.52 -0.56 -4.99 118.95 119.86 3g5k s ARG 101 Ca 0.10 -0.58 -0.23 0.00 -0.13 0.00 0.00 55.73 54.89 3g5k s ARG 101 Cb -0.10 -1.50 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 3g5k s ARG 101 CO -0.01 0.22 0.72 0.08 -0.81 0.00 0.00 175.30 175.51 3g5k s VAL 102 N 0.08 4.99 -0.11 7.11 1.01 -1.26 0.09 120.40 132.30 3g5k s VAL 102 Ca -0.04 1.43 0.19 0.00 0.00 0.00 0.00 61.98 63.56 3g5k s VAL 102 Cb -0.11 -4.05 -0.28 0.00 0.00 0.00 0.00 36.38 31.94 3g5k s VAL 102 CO 0.02 0.14 0.26 0.18 0.00 0.00 0.00 175.10 175.71 3g5k n LEU 103 N 4.60 0.00 -3.56 3.92 4.77 0.09 -4.89 117.00 121.93 3g5k n LEU 103 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3g5k n LEU 103 Cb 0.50 0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 41.68 3g5k n LEU 103 CO 0.47 0.24 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.90 3g5k s ASP 104 N -4.90 1.52 0.00 -1.43 -1.08 -0.66 -4.95 116.67 105.18 3g5k s ASP 104 Ca -0.09 -0.22 0.17 0.00 -0.52 0.00 0.00 52.55 51.89 3g5k s ASP 104 Cb 0.10 0.17 0.49 0.00 -1.46 0.00 0.00 42.92 42.23 3g5k s ASP 104 CO 0.83 -0.32 1.40 -1.54 0.52 0.00 0.00 175.17 176.06 3g5k n SER 105 N 5.31 2.29 -4.72 -0.34 3.41 -1.26 -2.54 113.62 115.76 3g5k n SER 105 Ca -0.06 -1.92 -0.43 0.00 -0.26 0.00 0.00 58.87 56.21 3g5k n SER 105 Cb 0.49 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.74 2.47 -3.58 4.33 0.63 -1.26 -4.73 116.66 115.26 3g5k n ARG 106 Ca 0.16 0.87 -0.37 0.00 -0.92 0.00 0.00 57.85 57.59 3g5k n ARG 106 Cb 0.38 -2.60 -0.06 0.00 0.45 0.00 0.00 32.46 30.63 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 -0.55 4.41 -0.06 6.15 1.43 -1.26 -0.76 118.68 128.04 3g5k s LEU 107 Ca 0.63 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 3g5k s LEU 107 Cb -0.54 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.24 3g5k s LEU 107 CO 0.52 0.29 -0.19 -0.69 0.23 0.00 0.00 176.35 176.51 3g5k s VAL 108 N -0.70 1.60 -0.11 -1.59 1.01 0.17 -4.91 120.40 115.87 3g5k s VAL 108 Ca 0.21 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3g5k s VAL 108 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3g5k s VAL 108 CO 0.09 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.54 3g5k s THR 109 N 0.13 1.97 0.15 3.92 2.01 -1.26 -0.98 115.64 121.58 3g5k s THR 109 Ca -0.07 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 3g5k s THR 109 Cb -0.13 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 3g5k s THR 109 CO 0.04 0.54 0.27 -0.36 -0.69 0.00 0.00 174.62 174.41 3g5k s PHE 110 N 0.52 0.35 0.38 4.92 0.08 -1.22 -4.92 117.98 118.08 3g5k s PHE 110 Ca -0.15 -0.72 -0.27 0.00 0.12 0.00 0.00 56.93 55.91 3g5k s PHE 110 Cb -0.17 -0.05 -0.09 0.00 -0.57 0.00 0.00 43.02 42.14 3g5k s PHE 110 CO 0.05 -0.69 1.23 -2.14 -0.10 0.00 0.00 175.22 173.57 3g5k s PRO 111 N -3.95 4.15 0.06 0.24 0.02 -1.26 -1.53 135.00 132.73 3g5k s PRO 111 Ca 0.15 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.19 3g5k s PRO 111 Cb 0.04 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.69 3g5k s PRO 111 CO -0.02 -0.29 -0.06 -2.00 -0.33 0.00 0.00 177.00 174.30 3g5k s GLU 112 N -2.09 0.61 0.37 5.54 2.12 0.18 -4.90 118.70 120.52 3g5k s GLU 112 Ca 0.54 -1.01 0.03 0.00 0.36 0.00 0.00 54.97 54.90 3g5k s GLU 112 Cb -0.35 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.88 3g5k s GLU 112 CO 0.45 -0.01 0.11 0.20 -0.54 0.00 0.00 175.26 175.46 3g5k s GLY 113 N -2.27 2.36 -0.02 -1.50 0.00 -1.26 -1.21 107.32 103.42 3g5k s GLY 113 Ca -0.01 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.15 3g5k s GLY 113 CO -0.03 -1.80 0.06 0.00 0.00 0.00 0.00 173.10 171.33 3g5k h GLU 115 N 5.89 0.00 -0.23 0.00 4.39 -1.96 -1.48 114.58 121.18 3g5k h GLU 115 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 3g5k h GLU 115 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3g5k h GLU 115 CO 0.46 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.74 3g5k n SER 116 N -2.84 2.29 -3.05 1.42 7.64 -1.26 -3.90 113.62 113.92 3g5k n SER 116 Ca -0.01 -1.81 -0.21 0.00 1.01 0.00 0.00 58.87 57.85 3g5k n SER 116 Cb 0.19 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.74 1.25 -1.68 0.44 0.31 -0.56 -0.73 118.33 118.09 3g5k n VAL 117 Ca 0.17 -4.93 -0.52 0.00 -0.01 0.00 0.00 64.34 59.04 3g5k n VAL 117 Cb 0.43 -0.70 -0.06 0.00 -0.91 0.00 0.00 33.84 32.60 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 0.03 0.23 0.00 3.52 0.00 -1.23 -3.15 120.51 119.92 3g5k n ALA 118 Ca 0.27 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3g5k n ALA 118 Cb 0.56 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 3.96 0.81 3.25 0.00 0.00 -1.26 -5.07 105.19 106.88 3g5k n GLY 119 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 1.37 0.08 1.61 0.08 -1.19 -1.04 117.98 116.89 3g5k s PHE 120 Ca 0.00 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.43 3g5k s PHE 120 Cb 0.00 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.72 3g5k s PHE 120 CO 0.00 0.14 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.67 3g5k s LEU 121 N -2.84 2.40 0.09 -0.37 1.43 -0.41 -4.31 118.68 114.68 3g5k s LEU 121 Ca 0.13 -0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 3g5k s LEU 121 Cb -0.01 -0.15 0.05 0.00 0.03 0.00 0.00 46.19 46.11 3g5k s LEU 121 CO 0.02 -0.33 0.53 0.00 0.23 0.00 0.00 176.35 176.80 3g5k s ALA 122 N -2.60 -1.35 0.25 4.21 0.00 -0.35 -0.81 121.76 121.11 3g5k s ALA 122 Ca 0.03 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 3g5k s ALA 122 Cb -0.02 0.57 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 3g5k s ALA 122 CO -0.02 -0.60 1.29 0.00 0.00 0.00 0.00 175.76 176.42 3g5k s VAL 124 N -0.43 -0.02 0.29 0.00 1.01 -0.58 -1.09 120.40 119.57 3g5k s VAL 124 Ca 0.53 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 3g5k s VAL 124 Cb -0.37 -0.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 3g5k s VAL 124 CO 0.43 0.12 1.06 -2.16 0.00 0.00 0.00 175.10 174.54 3g5k s PRO 125 N 1.26 4.63 0.04 2.72 0.04 -1.26 -3.41 135.00 139.02 3g5k s PRO 125 Ca -0.07 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 3g5k s PRO 125 Cb -0.13 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 3g5k s PRO 125 CO -0.03 0.23 -0.03 1.03 0.04 0.00 0.00 177.00 178.25 3g5k s ARG 126 N -1.53 0.51 0.50 4.56 1.81 -0.15 -4.90 118.95 119.75 3g5k s ARG 126 Ca 0.45 -1.02 -0.21 0.00 -1.72 0.00 0.00 55.73 53.23 3g5k s ARG 126 Cb -0.29 0.18 -0.07 0.00 -0.45 0.00 0.00 34.95 34.32 3g5k s ARG 126 CO 0.37 -0.09 1.13 -0.06 -0.68 0.00 0.00 175.30 175.97 3g5k s PHE 127 N -3.12 2.80 0.29 -0.53 2.99 -1.26 -0.66 117.98 118.49 3g5k s PHE 127 Ca -0.00 1.55 0.05 0.00 0.00 0.00 0.00 56.93 58.52 3g5k s PHE 127 Cb 0.02 -3.30 0.44 0.00 0.00 0.00 0.00 43.02 40.19 3g5k s PHE 127 CO -0.07 -1.45 1.71 0.37 -0.00 0.00 0.00 175.22 175.78 3g5k h GLN 128 N 1.59 0.32 -3.00 0.44 5.75 -0.72 -3.42 115.11 116.08 3g5k h GLN 128 Ca -0.50 -0.14 -0.16 0.00 -0.15 0.00 0.00 58.65 57.71 3g5k h GLN 128 Cb 1.25 -0.01 -0.26 0.00 1.07 0.00 0.00 27.48 29.53 3g5k h GLN 128 CO 0.58 0.64 -0.38 0.00 -2.65 0.00 0.00 178.83 177.03 3g5k s ALA 129 N -4.27 -0.73 0.14 3.38 0.00 -1.05 -0.81 121.76 118.42 3g5k s ALA 129 Ca -0.05 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 3g5k s ALA 129 Cb 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3g5k s ALA 129 CO 0.78 -0.16 0.09 0.14 0.00 0.00 0.00 175.76 176.61 3g5k s VAL 130 N 0.38 0.09 -0.14 0.00 -7.23 -0.30 -0.73 120.40 112.46 3g5k s VAL 130 Ca -0.02 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.30 3g5k s VAL 130 Cb -0.04 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3g5k s VAL 130 CO -0.02 -0.39 -0.19 -1.58 -0.31 0.00 0.00 175.10 172.61 3g5k s GLN 131 N -4.05 3.10 -0.17 4.82 0.74 0.11 -1.24 119.66 122.97 3g5k s GLN 131 Ca 0.25 -0.81 -0.06 0.00 0.05 0.00 0.00 55.36 54.79 3g5k s GLN 131 Cb 0.07 -2.51 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 3g5k s GLN 131 CO 0.03 0.01 0.01 -1.50 -0.55 0.00 0.00 175.29 173.29 3g5k s ILE 132 N 0.79 4.33 -0.06 -2.34 2.07 0.28 -1.49 121.20 124.79 3g5k s ILE 132 Ca -0.07 -0.20 0.05 0.00 -1.41 0.00 0.00 60.65 59.03 3g5k s ILE 132 Cb -0.16 -2.93 -0.01 0.00 0.13 0.00 0.00 42.46 39.50 3g5k s ILE 132 CO -0.01 0.47 -0.23 -0.44 -1.91 0.00 0.00 174.94 172.83 3g5k s SER 133 N 0.40 2.84 0.00 4.50 0.01 -0.10 -0.48 113.70 120.87 3g5k s SER 133 Ca -0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 3g5k s SER 133 Cb -0.13 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.23 3g5k s SER 133 CO 0.02 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.48 3g5k n GLY 134 N 3.09 1.55 3.86 3.44 0.00 -0.29 -0.01 105.19 116.83 3g5k n GLY 134 Ca -0.18 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 4.23 0.81 0.99 1.43 -0.34 -0.54 118.68 125.25 3g5k s LEU 135 Ca 0.00 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 3g5k s LEU 135 Cb 0.00 -2.47 0.08 0.00 0.03 0.00 0.00 46.19 43.82 3g5k s LEU 135 CO 0.00 0.28 1.12 1.51 0.23 0.00 0.00 176.35 179.48 3g5k s ASP 136 N -1.82 4.46 0.47 2.29 1.47 0.49 -0.16 116.67 123.86 3g5k s ASP 136 Ca 0.25 1.13 0.27 0.00 1.18 0.00 0.00 52.55 55.38 3g5k s ASP 136 Cb -0.12 -1.81 1.45 0.00 -0.34 0.00 0.00 42.92 42.10 3g5k s ASP 136 CO 0.16 -1.97 1.79 -0.65 0.68 0.00 0.00 175.17 175.19 3g5k h PRO 137 N -1.09 0.00 -0.01 2.11 0.11 -1.90 -0.62 132.00 130.60 3g5k h PRO 137 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g5k h PRO 137 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3g5k h PRO 137 CO 0.62 0.00 -0.14 0.09 -0.21 0.00 0.00 178.00 178.35 3g5k n ASN 138 N -2.52 0.96 0.00 -2.05 3.02 -1.26 -0.49 115.26 112.92 3g5k n ASN 138 Ca -0.02 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 3g5k n ASN 138 Cb 0.17 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3g5k n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5k n GLY 139 N 1.27 0.66 3.76 7.41 0.00 -0.24 -4.58 105.19 113.46 3g5k n GLY 139 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 3g5k n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g5k s GLU 140 N -0.72 4.60 -0.09 1.61 2.12 -1.26 -4.73 118.70 120.24 3g5k s GLU 140 Ca 0.00 1.63 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 3g5k s GLU 140 Cb 0.00 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 3g5k s GLU 140 CO 0.00 0.23 1.14 -0.65 -0.54 0.00 0.00 175.26 175.43 3g5k s GLN 141 N -1.63 4.36 -0.05 4.30 -0.21 -1.26 -0.38 119.66 124.79 3g5k s GLN 141 Ca 0.47 1.57 0.03 0.00 0.02 0.00 0.00 55.36 57.44 3g5k s GLN 141 Cb -0.28 -3.57 0.01 0.00 1.00 0.00 0.00 33.01 30.17 3g5k s GLN 141 CO 0.35 -0.44 -0.12 0.08 -2.12 0.00 0.00 175.29 173.04 3g5k s VAL 142 N 2.31 1.10 -0.12 1.09 1.01 0.30 -4.94 120.40 121.15 3g5k s VAL 142 Ca 0.53 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.04 3g5k s VAL 142 Cb -0.22 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3g5k s VAL 142 CO 0.19 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 3g5k s VAL 143 N 0.44 1.60 -0.18 2.92 1.01 -1.26 -1.13 120.40 123.79 3g5k s VAL 143 Ca -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3g5k s VAL 143 Cb -0.13 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.82 3g5k s VAL 143 CO 0.03 0.46 -0.18 0.86 0.00 0.00 0.00 175.10 176.27 3g5k s TRP 144 N 0.99 2.69 -0.25 5.22 -0.00 0.37 -4.98 118.94 122.97 3g5k s TRP 144 Ca -0.06 -1.62 -0.16 0.00 -0.00 0.00 0.00 56.10 54.26 3g5k s TRP 144 Cb -0.15 -1.85 -0.03 0.00 -0.00 0.00 0.00 33.47 31.44 3g5k s TRP 144 CO -0.02 -0.79 0.42 -1.14 -0.00 0.00 0.00 176.95 175.42 3g5k s GLN 145 N 1.32 4.07 0.08 5.86 0.74 -1.26 -0.55 119.66 129.92 3g5k s GLN 145 Ca 0.04 0.16 0.05 0.00 0.05 0.00 0.00 55.36 55.66 3g5k s GLN 145 Cb -0.14 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 3g5k s GLN 145 CO -0.12 -0.23 -0.13 0.00 -0.55 0.00 0.00 175.29 174.26 3g5k s ALA 146 N 1.93 1.17 0.24 1.58 0.00 -0.38 -5.02 121.76 121.29 3g5k s ALA 146 Ca 0.18 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3g5k s ALA 146 Cb -0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 3g5k s ALA 146 CO 0.09 0.09 0.02 -1.54 0.00 0.00 0.00 175.76 174.42 3g5k s SER 147 N -2.04 1.69 0.75 0.00 1.04 -1.26 -1.15 113.70 112.73 3g5k s SER 147 Ca 0.01 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.18 3g5k s SER 147 Cb -0.07 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3g5k s SER 147 CO 0.02 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.28 3g5k n GLY 148 N -0.43 1.52 0.32 7.32 0.00 0.01 -2.96 105.19 110.96 3g5k n GLY 148 Ca -0.04 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 0.63 -0.47 1.61 2.91 -1.09 -1.88 115.95 117.66 3g5k h TRP 149 Ca 0.00 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 3g5k h TRP 149 Cb 0.00 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.42 3g5k h TRP 149 CO 0.00 0.39 -0.03 0.00 -1.03 0.00 0.00 178.44 177.77 3g5k h ALA 150 N 1.69 1.07 -0.47 2.65 0.00 -1.75 -1.25 119.26 121.19 3g5k h ALA 150 Ca 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3g5k h ALA 150 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3g5k h ALA 150 CO -0.04 0.58 0.17 0.00 0.00 0.00 0.00 179.25 179.96 3g5k h ALA 151 N 1.23 1.42 -0.28 0.00 0.00 -1.25 -1.27 119.26 119.11 3g5k h ALA 151 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3g5k h ALA 151 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3g5k h ALA 151 CO 0.02 0.44 0.01 -0.09 0.00 0.00 0.00 179.25 179.63 3g5k h ARG 152 N 0.67 0.49 -0.34 0.00 2.43 -0.79 -0.83 114.38 116.02 3g5k h ARG 152 Ca 0.16 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3g5k h ARG 152 Cb 0.16 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3g5k h ARG 152 CO -0.01 0.64 0.16 0.82 -1.51 0.00 0.00 179.97 180.06 3g5k h ILE 153 N 0.28 0.97 -0.44 1.20 2.04 -0.98 -0.25 117.51 120.34 3g5k h ILE 153 Ca 0.08 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3g5k h ILE 153 Cb 0.41 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3g5k h ILE 153 CO 0.01 0.06 0.13 0.40 0.00 0.00 0.00 178.15 178.75 3g5k h ILE 154 N 0.33 0.82 -0.61 -0.67 2.04 -1.06 -1.09 117.51 117.28 3g5k h ILE 154 Ca 0.14 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 3g5k h ILE 154 Cb 0.07 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3g5k h ILE 154 CO -0.11 0.05 0.03 1.56 0.00 0.00 0.00 178.15 179.69 3g5k h GLN 155 N 0.28 1.05 -0.42 2.37 4.20 -0.62 -0.28 115.11 121.69 3g5k h GLN 155 Ca 0.21 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3g5k h GLN 155 Cb 0.23 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3g5k h GLN 155 CO -0.24 1.01 0.26 1.25 -0.67 0.00 0.00 178.83 180.45 3g5k h HIS 156 N 0.95 0.55 -0.36 2.96 2.76 -0.62 -0.34 115.15 121.05 3g5k h HIS 156 Ca 0.18 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.19 3g5k h HIS 156 Cb 0.52 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 3g5k h HIS 156 CO 0.04 0.38 -0.40 0.93 -1.30 0.00 0.00 177.93 177.58 3g5k h GLU 157 N 0.56 0.87 -0.89 5.26 4.39 -0.96 -2.61 114.58 121.20 3g5k h GLU 157 Ca 0.15 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 3g5k h GLU 157 Cb -0.01 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 3g5k h GLU 157 CO -0.03 1.11 0.48 0.52 -1.16 0.00 0.00 179.01 179.93 3g5k h MET 158 N 0.71 1.25 -0.57 2.33 2.86 -0.99 -2.24 114.93 118.29 3g5k h MET 158 Ca 0.06 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3g5k h MET 158 Cb 0.98 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 3g5k h MET 158 CO 0.09 0.92 0.31 -0.44 1.06 0.00 0.00 176.91 178.85 3g5k h ASP 159 N 1.25 0.69 -0.86 1.22 3.32 -0.83 -1.16 116.42 120.05 3g5k h ASP 159 Ca 0.31 -0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.44 3g5k h ASP 159 Cb 0.04 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 3g5k h ASP 159 CO -0.05 0.56 0.56 0.45 -1.72 0.00 0.00 179.24 179.04 3g5k h HIS 160 N 0.78 0.81 0.00 4.55 3.86 -1.03 0.20 115.15 124.32 3g5k h HIS 160 Ca 0.20 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3g5k h HIS 160 Cb 0.03 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.24 3g5k h HIS 160 CO 0.00 0.33 0.00 1.28 0.86 0.00 0.00 177.93 180.40 3g5k n LEU 161 N -4.54 0.65 -1.05 2.43 4.77 -0.45 -2.27 117.00 116.54 3g5k n LEU 161 Ca 0.16 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.88 3g5k n LEU 161 Cb 0.42 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 41.17 3g5k n LEU 161 CO 0.30 -0.43 0.66 0.00 -1.33 0.00 0.00 177.39 176.60 3g5k n GLN 162 N -2.18 2.38 -0.79 3.23 1.13 -0.11 -1.48 117.38 119.56 3g5k n GLN 162 Ca 0.03 -2.10 0.00 0.00 -1.94 0.00 0.00 57.00 52.99 3g5k n GLN 162 Cb 0.28 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.40 0.52 3.59 1.08 0.00 -0.90 -4.60 105.19 106.28 3g5k n GLY 163 Ca 0.17 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.18 3.04 0.46 0.00 1.43 -1.26 -3.17 118.68 119.00 3g5k s LEU 165 Ca 0.04 -0.90 0.20 0.00 -1.03 0.00 0.00 54.13 52.45 3g5k s LEU 165 Cb -0.13 -1.46 1.12 0.00 0.03 0.00 0.00 46.19 45.76 3g5k s LEU 165 CO 0.02 -0.19 1.98 2.19 0.23 0.00 0.00 176.35 180.58 3g5k h PHE 166 N 1.81 0.00 0.00 0.29 -5.15 -1.98 0.49 116.94 112.41 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 0.69 0.20 0.00 -0.84 -2.00 0.00 0.00 178.31 176.37 3g5k h ILE 167 N 0.00 0.00 0.00 0.88 3.07 -1.97 -0.78 117.51 118.71 3g5k h ILE 167 Ca -0.00 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.39 3g5k h ILE 167 Cb 0.43 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 37.57 3g5k h ILE 167 CO 0.03 0.00 0.00 0.44 -1.05 0.00 0.00 178.15 177.57 3g5k h ASP 168 N 0.00 0.00 0.00 2.16 3.32 -1.30 -3.35 116.42 117.25 3g5k h ASP 168 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g5k h ASP 168 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3g5k h ASP 168 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 3g5k n LYS 169 N -2.54 1.42 -1.65 3.56 5.02 -0.42 -5.07 118.16 118.47 3g5k n LYS 169 Ca 0.05 -0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 55.78 3g5k n LYS 169 Cb 0.45 -0.72 0.05 0.00 -0.02 0.00 0.00 35.03 34.79 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 -0.28 2.84 -0.57 1.97 0.23 -0.47 -4.47 119.30 118.56 3g5k s MET 170 Ca 0.00 0.80 -0.28 0.00 -1.03 0.00 0.00 55.69 55.18 3g5k s MET 170 Cb 0.00 -1.99 0.03 0.00 -1.53 0.00 0.00 34.83 31.34 3g5k s MET 170 CO 0.00 -1.13 1.17 0.34 -2.03 0.00 0.00 175.02 173.37 3g5k s ASP 171 N -3.94 6.46 0.53 -1.18 -1.08 -0.25 -4.91 116.67 112.31 3g5k s ASP 171 Ca 0.58 0.11 0.32 0.00 -0.52 0.00 0.00 52.55 53.04 3g5k s ASP 171 Cb -0.13 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.15 3g5k s ASP 171 CO 0.54 -1.43 1.99 0.77 0.52 0.00 0.00 175.17 177.56 3g5k h SER 172 N 9.49 0.00 0.48 -0.34 4.64 -1.94 -0.48 113.55 125.40 3g5k h SER 172 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 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 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 177.74 3g5k n ARG 173 N -3.23 0.28 -0.06 4.77 1.74 -1.26 -2.28 116.66 116.62 3g5k n ARG 173 Ca -0.00 0.08 0.10 0.00 -0.77 0.00 0.00 57.85 57.25 3g5k n ARG 173 Cb 0.31 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.32 0.20 -1.90 0.55 -2.24 -0.19 -4.97 114.28 104.40 3g5k n THR 174 Ca 0.10 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 3g5k n THR 174 Cb 0.19 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.48 2.95 -0.06 4.78 5.36 -0.97 -4.41 117.98 124.16 3g5k s PHE 175 Ca 0.26 0.78 -0.15 0.00 -0.96 0.00 0.00 56.93 56.87 3g5k s PHE 175 Cb 0.17 -3.94 0.03 0.00 -0.34 0.00 0.00 43.02 38.93 3g5k s PHE 175 CO 0.25 -3.27 0.35 -0.08 -1.46 0.00 0.00 175.22 171.00 3g5k s THR 176 N 0.44 0.03 0.63 0.12 -1.32 0.01 -4.99 115.64 110.57 3g5k s THR 176 Ca 0.65 -0.27 -0.18 0.00 -1.21 0.00 0.00 61.69 60.68 3g5k s THR 176 Cb -0.45 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.94 3g5k s THR 176 CO 0.40 -0.15 1.28 0.20 -2.21 0.00 0.00 174.62 174.14 3g5k s ASN 177 N -0.72 4.74 0.40 8.08 0.01 -1.26 -1.28 114.94 124.91 3g5k s ASN 177 Ca -0.08 2.59 0.28 0.00 -0.71 0.00 0.00 52.86 54.94 3g5k s ASN 177 Cb -0.04 -2.62 1.14 0.00 0.41 0.00 0.00 41.25 40.15 3g5k s ASN 177 CO 0.03 -1.91 1.84 -0.37 -1.51 0.00 0.00 177.10 175.18 3g5k h VAL 178 N 0.65 0.00 -0.04 1.60 -1.51 -1.43 -1.94 116.25 113.59 3g5k h VAL 178 Ca -0.51 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 3g5k h VAL 178 Cb 1.33 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 3g5k h VAL 178 CO 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.88 3g5k n TYR 179 N -2.66 0.04 -4.85 5.19 0.18 -1.26 -4.62 117.16 109.18 3g5k n TYR 179 Ca 0.02 -0.02 -0.33 0.00 1.88 0.00 0.00 57.90 59.45 3g5k n TYR 179 Cb 0.28 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.11 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 -1.96 2.74 0.01 -3.48 0.52 -0.73 -5.12 118.94 110.93 3g5k s TRP 180 Ca 0.31 -0.33 -0.16 0.00 0.02 0.00 0.00 56.10 55.95 3g5k s TRP 180 Cb 0.15 -1.71 0.03 0.00 -1.15 0.00 0.00 33.47 30.79 3g5k s TRP 180 CO 0.25 0.05 0.34 0.00 0.02 0.00 0.00 176.95 177.60 3g5k s MET 181 N -0.35 0.77 0.07 4.98 0.23 -1.26 -4.81 119.30 118.93 3g5k s MET 181 Ca 0.03 -0.29 -0.25 0.00 -1.03 0.00 0.00 55.69 54.15 3g5k s MET 181 Cb -0.12 0.34 -0.06 0.00 -1.53 0.00 0.00 34.83 33.45 3g5k s MET 181 CO 0.02 -0.23 0.76 0.15 -2.03 0.00 0.00 175.02 173.69 3g5k s LYS 182 N -1.87 4.51 0.12 3.16 1.02 -1.26 -5.07 119.74 120.36 3g5k s LYS 182 Ca -0.10 1.08 0.04 0.00 0.02 0.00 0.00 55.97 57.01 3g5k s LYS 182 Cb -0.03 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3g5k s LYS 182 CO 0.01 0.36 -0.10 0.14 -0.92 0.00 0.00 175.35 174.85 3g5k s VAL 183 N -0.35 1.03 0.16 3.17 -7.23 -1.26 -5.14 120.40 110.78 3g5k s VAL 183 Ca 0.38 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.36 3g5k s VAL 183 Cb -0.21 -1.66 -0.07 0.00 0.56 0.00 0.00 36.38 35.00 3g5k s VAL 183 CO 0.24 -0.69 0.91 0.20 -0.31 0.00 0.00 175.10 175.44 3g5k s ASN 184 N -2.89 7.51 0.00 4.85 0.01 -1.26 -5.36 114.94 117.79 3g5k s ASN 184 Ca 0.12 1.79 0.31 0.00 -0.71 0.00 0.00 52.86 54.37 3g5k s ASN 184 Cb 0.01 -2.57 1.64 0.00 0.41 0.00 0.00 41.25 40.73 3g5k s ASN 184 CO -0.00 0.06 2.08 0.47 -1.51 0.00 0.00 177.10 178.19