#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gx4 s ARG 2 N 0.00 1.42 0.55 2.12 1.70 -1.26 -4.98 118.95 118.51 3gx4 s ARG 2 Ca 0.00 -1.73 0.30 0.00 -0.47 0.00 0.00 55.73 53.84 3gx4 s ARG 2 Cb 0.00 -0.80 1.61 0.00 -0.57 0.00 0.00 34.95 35.19 3gx4 s ARG 2 CO 0.00 -0.06 2.13 1.98 -1.08 0.00 0.00 175.30 178.27 3gx4 h MET 3 N 2.39 0.00 0.00 3.89 4.05 -2.05 1.06 114.93 124.27 3gx4 h MET 3 Ca -0.39 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 3gx4 h MET 3 Cb 1.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 3gx4 h MET 3 CO 0.66 0.08 -0.26 0.38 0.23 0.00 0.00 176.91 178.00 3gx4 h ASP 4 N 0.00 0.00 -0.03 1.39 3.04 -1.98 -1.10 116.42 117.74 3gx4 h ASP 4 Ca -0.00 -0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 53.75 3gx4 h ASP 4 Cb 0.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 3gx4 h ASP 4 CO 0.01 0.01 -0.11 -0.33 -2.04 0.00 0.00 179.24 176.77 3gx4 h GLU 5 N 0.00 0.13 0.05 4.15 5.08 0.56 -1.97 114.58 122.58 3gx4 h GLU 5 Ca 0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3gx4 h GLU 5 Cb 0.96 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 3gx4 h GLU 5 CO 0.00 0.74 -0.52 0.35 -1.00 0.00 0.00 179.01 178.58 3gx4 h PHE 6 N -0.45 -1.51 -0.86 4.33 3.57 -0.51 0.34 116.94 121.85 3gx4 h PHE 6 Ca -0.01 0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.70 3gx4 h PHE 6 Cb 0.75 0.65 -0.10 0.00 2.79 0.00 0.00 35.95 40.04 3gx4 h PHE 6 CO 0.14 -0.58 0.43 1.88 -2.23 0.00 0.00 178.31 177.96 3gx4 h TYR 7 N -0.70 0.75 -0.02 0.41 -1.99 -1.22 -0.60 116.97 113.60 3gx4 h TYR 7 Ca 0.01 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.80 3gx4 h TYR 7 Cb 0.73 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 3gx4 h TYR 7 CO -0.48 0.14 -0.10 1.15 -0.00 0.00 0.00 178.16 178.87 3gx4 h THR 8 N 0.58 0.74 -0.54 -2.88 2.02 0.09 -1.51 112.91 111.41 3gx4 h THR 8 Ca 0.49 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.68 3gx4 h THR 8 Cb 0.75 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3gx4 h THR 8 CO -0.40 0.00 0.35 0.11 0.37 0.00 0.00 175.52 175.95 3gx4 h LYS 9 N -0.16 0.68 -0.37 6.66 1.79 0.99 0.12 116.57 126.27 3gx4 h LYS 9 Ca 0.04 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3gx4 h LYS 9 Cb 0.22 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 3gx4 h LYS 9 CO -0.11 0.45 0.06 0.28 -1.08 0.00 0.00 179.45 179.04 3gx4 h VAL 10 N 0.70 0.80 -0.13 0.50 2.07 -1.11 1.06 116.25 120.13 3gx4 h VAL 10 Ca 0.21 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 3gx4 h VAL 10 Cb -0.04 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3gx4 h VAL 10 CO -0.07 0.03 -0.18 1.88 0.02 0.00 0.00 177.57 179.26 3gx4 h TYR 11 N 0.18 0.23 -0.56 1.57 0.99 0.24 -0.73 116.97 118.88 3gx4 h TYR 11 Ca 0.18 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 3gx4 h TYR 11 Cb 0.21 -0.06 -0.03 0.00 1.00 0.00 0.00 36.73 37.85 3gx4 h TYR 11 CO -0.20 0.39 0.32 -0.44 -0.00 0.00 0.00 178.16 178.23 3gx4 h ASP 12 N 0.20 0.69 -0.45 3.88 3.45 0.45 -2.05 116.42 122.59 3gx4 h ASP 12 Ca 0.04 -0.08 0.09 0.00 0.43 0.00 0.00 57.03 57.51 3gx4 h ASP 12 Cb 0.44 -0.18 -0.10 0.00 -0.56 0.00 0.00 39.33 38.94 3gx4 h ASP 12 CO 0.03 0.57 -0.31 0.00 -1.57 0.00 0.00 179.24 177.96 3gx4 h ALA 13 N 1.15 -0.10 -0.20 3.45 0.00 0.25 -2.88 119.26 120.94 3gx4 h ALA 13 Ca 0.20 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 3gx4 h ALA 13 Cb 0.02 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3gx4 h ALA 13 CO -0.03 -0.69 -0.65 0.28 0.00 0.00 0.00 179.25 178.16 3gx4 h VAL 14 N -0.21 1.29 -0.44 0.00 2.07 -1.15 1.36 116.25 119.17 3gx4 h VAL 14 Ca 0.19 -1.87 0.13 0.00 0.82 0.00 0.00 66.70 65.97 3gx4 h VAL 14 Cb 0.53 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3gx4 h VAL 14 CO -0.57 0.60 0.45 0.00 0.02 0.00 0.00 177.57 178.06 3gx4 n GLU 16 N -3.79 0.06 -2.52 0.00 1.02 0.47 -4.87 120.64 111.01 3gx4 n GLU 16 Ca 0.08 0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.98 3gx4 n GLU 16 Cb 0.63 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 3gx4 n GLU 16 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3gx4 s ILE 17 N -3.06 4.37 0.26 -3.67 1.01 -0.06 -4.91 121.20 115.15 3gx4 s ILE 17 Ca 0.10 1.69 -0.31 0.00 0.00 0.00 0.00 60.65 62.13 3gx4 s ILE 17 Cb 0.13 -4.09 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 3gx4 s ILE 17 CO 0.42 0.04 1.58 -0.81 0.00 0.00 0.00 174.94 176.16 3gx4 n PRO 18 N 4.81 2.56 -1.00 2.79 -0.04 -1.26 -4.88 135.00 137.99 3gx4 n PRO 18 Ca 0.10 0.91 -0.37 0.00 -0.04 0.00 0.00 63.50 64.10 3gx4 n PRO 18 Cb 0.47 -2.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 3gx4 n PRO 18 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3gx4 n TYR 19 N 2.43 0.12 -0.77 0.54 4.19 -1.26 -1.66 117.16 120.75 3gx4 n TYR 19 Ca 0.11 0.70 0.00 0.00 3.31 0.00 0.00 57.90 62.02 3gx4 n TYR 19 Cb 0.35 -1.39 0.00 0.00 0.49 0.00 0.00 39.34 38.79 3gx4 n TYR 19 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3gx4 n GLY 20 N 1.17 1.34 3.77 2.98 0.00 -1.26 -4.97 105.19 108.21 3gx4 n GLY 20 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3gx4 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gx4 s LYS 21 N -0.04 2.41 0.23 1.61 -0.14 -0.66 -4.83 119.74 118.32 3gx4 s LYS 21 Ca 0.00 -1.57 0.01 0.00 -1.36 0.00 0.00 55.97 53.05 3gx4 s LYS 21 Cb 0.00 -2.21 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 3gx4 s LYS 21 CO 0.00 0.02 0.09 0.14 -0.76 0.00 0.00 175.35 174.84 3gx4 s VAL 22 N -2.45 0.44 0.30 3.17 -7.23 0.23 -4.74 120.40 110.13 3gx4 s VAL 22 Ca 0.40 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 3gx4 s VAL 22 Cb -0.02 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3gx4 s VAL 22 CO 0.24 -0.07 0.14 -0.55 -0.31 0.00 0.00 175.10 174.55 3gx4 s SER 23 N -3.25 1.58 -0.02 4.85 0.15 0.47 0.62 113.70 118.09 3gx4 s SER 23 Ca 0.36 -1.53 -0.03 0.00 0.70 0.00 0.00 55.95 55.45 3gx4 s SER 23 Cb 0.07 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 3gx4 s SER 23 CO 0.12 -0.85 0.17 0.28 1.20 0.00 0.00 173.24 174.15 3gx4 s THR 24 N -3.60 5.38 0.09 6.45 -1.32 -1.26 -0.26 115.64 121.13 3gx4 s THR 24 Ca 0.35 -0.14 -0.24 0.00 -1.21 0.00 0.00 61.69 60.45 3gx4 s THR 24 Cb 0.05 -3.49 -0.08 0.00 -1.51 0.00 0.00 72.50 67.47 3gx4 s THR 24 CO 0.17 0.36 1.39 1.88 -2.21 0.00 0.00 174.62 176.21 3gx4 h TYR 25 N 3.97 -1.20 -0.83 9.09 -1.99 -1.23 -0.73 116.97 124.04 3gx4 h TYR 25 Ca -0.50 0.05 0.20 0.00 2.00 0.00 0.00 58.73 60.49 3gx4 h TYR 25 Cb 1.19 0.55 -0.12 0.00 2.00 0.00 0.00 36.73 40.35 3gx4 h TYR 25 CO 0.68 -0.36 0.26 0.78 -0.00 0.00 0.00 178.16 179.51 3gx4 h GLY 26 N -0.33 1.29 1.43 3.88 0.00 -1.84 -2.31 103.07 105.19 3gx4 h GLY 26 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3gx4 h GLY 26 CO -0.39 -0.27 0.38 0.83 0.00 0.00 0.00 176.54 177.09 3gx4 h GLU 27 N 0.29 0.77 -0.12 4.80 4.39 -1.55 -1.94 114.58 121.22 3gx4 h GLU 27 Ca 0.50 -0.05 -0.20 0.00 0.34 0.00 0.00 59.36 59.96 3gx4 h GLU 27 Cb 0.94 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.43 3gx4 h GLU 27 CO -0.57 0.51 -0.71 0.82 -1.16 0.00 0.00 179.01 177.91 3gx4 h ILE 28 N 0.79 1.31 -0.29 3.13 1.08 -0.99 0.52 117.51 123.06 3gx4 h ILE 28 Ca 0.21 -1.95 0.03 0.00 -0.39 0.00 0.00 64.86 62.76 3gx4 h ILE 28 Cb -0.09 2.11 -0.05 0.00 -3.07 0.00 0.00 36.82 35.73 3gx4 h ILE 28 CO -0.05 0.61 -0.35 0.00 -0.69 0.00 0.00 178.15 177.68 3gx4 h ALA 29 N 0.50 -0.56 -0.45 1.87 0.00 -0.85 -0.25 119.26 119.51 3gx4 h ALA 29 Ca -0.06 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3gx4 h ALA 29 Cb 1.35 1.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.06 3gx4 h ALA 29 CO 0.15 -0.74 -0.49 0.00 0.00 0.00 0.00 179.25 178.17 3gx4 h ARG 30 N -0.22 -0.27 -0.96 0.00 3.08 -1.23 -0.23 114.38 114.56 3gx4 h ARG 30 Ca 0.05 0.02 0.29 0.00 0.07 0.00 0.00 59.98 60.41 3gx4 h ARG 30 Cb 0.35 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 30.32 3gx4 h ARG 30 CO -0.39 -0.18 0.45 -0.92 -1.07 0.00 0.00 179.97 177.86 3gx4 h TYR 31 N -0.28 0.73 -0.32 3.04 3.20 0.11 0.13 116.97 123.58 3gx4 h TYR 31 Ca 0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3gx4 h TYR 31 Cb 0.48 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3gx4 h TYR 31 CO -0.77 -0.18 0.00 1.33 -1.64 0.00 0.00 178.16 176.90 3gx4 n VAL 32 N -5.11 0.42 -0.03 1.81 0.24 -0.20 -4.81 118.33 110.64 3gx4 n VAL 32 Ca 0.28 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3gx4 n VAL 32 Cb 0.87 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 3gx4 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gx4 n GLY 33 N 1.08 0.98 2.79 7.63 0.00 0.44 -4.98 105.19 113.13 3gx4 n GLY 33 Ca 0.13 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3gx4 n GLY 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gx4 n MET 34 N -2.03 3.15 0.14 1.61 2.81 -0.13 -4.87 117.12 117.79 3gx4 n MET 34 Ca 0.00 -4.81 0.19 0.00 -1.81 0.00 0.00 57.70 51.27 3gx4 n MET 34 Cb 0.00 -2.26 0.78 0.00 -0.71 0.00 0.00 33.22 31.03 3gx4 n MET 34 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3gx4 h PRO 35 N 3.38 0.00 -0.27 0.03 0.11 -1.82 0.24 132.00 133.67 3gx4 h PRO 35 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3gx4 h PRO 35 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3gx4 h PRO 35 CO 0.84 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.50 3gx4 n SER 36 N -3.82 3.17 -1.98 -2.05 3.41 -1.26 -4.45 113.62 106.63 3gx4 n SER 36 Ca 0.05 -1.93 -0.21 0.00 -0.26 0.00 0.00 58.87 56.51 3gx4 n SER 36 Cb 0.47 -0.17 0.06 0.00 -0.26 0.00 0.00 64.21 64.31 3gx4 n SER 36 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gx4 n TYR 37 N 1.30 1.99 -0.06 7.33 4.02 0.07 -4.57 117.16 127.25 3gx4 n TYR 37 Ca 0.16 -2.14 -0.12 0.00 -0.01 0.00 0.00 57.90 55.79 3gx4 n TYR 37 Cb 0.56 -1.04 -0.06 0.00 -0.02 0.00 0.00 39.34 38.78 3gx4 n TYR 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gx4 h ALA 38 N 1.59 0.26 -1.00 -0.72 0.00 -1.80 0.29 119.26 117.88 3gx4 h ALA 38 Ca 0.38 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 55.27 3gx4 h ALA 38 Cb 1.05 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 3gx4 h ALA 38 CO 0.95 0.02 0.62 0.00 0.00 0.00 0.00 179.25 180.84 3gx4 h ARG 39 N 0.08 0.58 0.00 0.00 3.08 -1.94 -0.89 114.38 115.29 3gx4 h ARG 39 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gx4 h ARG 39 Cb 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3gx4 h ARG 39 CO 0.02 0.38 -0.54 -0.56 -1.07 0.00 0.00 179.97 178.20 3gx4 h GLN 40 N 0.60 0.00 -0.81 0.04 -0.00 -1.51 0.70 115.11 114.13 3gx4 h GLN 40 Ca 0.57 0.00 0.14 0.00 -0.00 0.00 0.00 58.65 59.36 3gx4 h GLN 40 Cb 1.13 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.55 3gx4 h GLN 40 CO -0.34 0.00 0.53 0.28 -0.00 0.00 0.00 178.83 179.30 3gx4 h VAL 41 N 0.00 0.83 0.22 1.86 2.07 0.90 0.44 116.25 122.57 3gx4 h VAL 41 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3gx4 h VAL 41 Cb 0.97 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3gx4 h VAL 41 CO 0.00 0.10 -0.10 1.23 0.02 0.00 0.00 177.57 178.82 3gx4 h GLY 42 N 0.57 -0.30 1.35 2.17 0.00 -0.27 -2.90 103.07 103.69 3gx4 h GLY 42 Ca 0.40 0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.75 3gx4 h GLY 42 CO -0.16 -0.11 -0.08 1.46 0.00 0.00 0.00 176.54 177.65 3gx4 h GLN 43 N -0.68 0.78 -0.76 4.80 1.08 -0.98 0.36 115.11 119.71 3gx4 h GLN 43 Ca -0.03 -0.24 0.14 0.00 -1.45 0.00 0.00 58.65 57.07 3gx4 h GLN 43 Cb 0.48 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.78 3gx4 h GLN 43 CO 0.05 0.84 0.51 0.00 -0.95 0.00 0.00 178.83 179.27 3gx4 h ALA 44 N 1.20 2.05 0.07 3.87 0.00 0.06 0.14 119.26 126.64 3gx4 h ALA 44 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gx4 h ALA 44 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gx4 h ALA 44 CO 0.03 -0.25 -0.03 0.52 0.00 0.00 0.00 179.25 179.52 3gx4 h MET 45 N 0.47 -0.09 -0.91 0.00 2.86 -0.17 -2.70 114.93 114.39 3gx4 h MET 45 Ca 0.37 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 58.21 3gx4 h MET 45 Cb 0.78 0.02 -0.17 0.00 0.06 0.00 0.00 31.60 32.29 3gx4 h MET 45 CO -0.13 0.47 -0.20 -0.22 1.06 0.00 0.00 176.91 177.90 3gx4 h LYS 46 N -0.76 0.00 -1.77 1.72 3.64 -0.08 -2.65 116.57 116.67 3gx4 h LYS 46 Ca -0.01 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3gx4 h LYS 46 Cb 0.60 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3gx4 h LYS 46 CO 0.02 0.00 0.06 0.72 -2.27 0.00 0.00 179.45 177.98 3gx4 n HIS 47 N -5.56 0.23 -3.60 1.91 -0.00 0.40 -4.88 115.22 103.71 3gx4 n HIS 47 Ca 0.15 -1.05 -0.23 0.00 -0.00 0.00 0.00 57.72 56.58 3gx4 n HIS 47 Cb 0.48 -0.52 -0.02 0.00 -0.00 0.00 0.00 29.99 29.93 3gx4 n HIS 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3gx4 s LEU 48 N -0.27 4.13 0.42 2.41 1.43 -1.00 -5.02 118.68 120.79 3gx4 s LEU 48 Ca 0.05 0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.23 3gx4 s LEU 48 Cb 0.04 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 43.02 3gx4 s LEU 48 CO 0.00 -0.20 1.22 -1.00 0.23 0.00 0.00 176.35 176.60 3gx4 s HIS 49 N -2.16 2.91 0.00 0.29 3.76 -1.26 -4.77 115.29 114.05 3gx4 s HIS 49 Ca 0.38 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.79 3gx4 s HIS 49 Cb -0.10 -3.50 0.00 0.00 1.11 0.00 0.00 32.58 30.10 3gx4 s HIS 49 CO 0.33 -1.68 0.56 -2.30 -0.85 0.00 0.00 174.74 170.80 3gx4 n PRO 50 N -0.08 0.51 -0.08 8.40 -0.02 -1.26 -1.69 135.00 140.77 3gx4 n PRO 50 Ca 0.05 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.45 3gx4 n PRO 50 Cb 0.46 -1.25 -0.16 0.00 -0.02 0.00 0.00 33.50 32.53 3gx4 n PRO 50 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gx4 n GLU 51 N 0.85 0.68 -1.54 -0.52 4.71 -1.26 -5.02 120.64 118.54 3gx4 n GLU 51 Ca 0.00 -0.00 -0.48 0.00 -0.01 0.00 0.00 57.16 56.67 3gx4 n GLU 51 Cb 0.25 -1.54 -0.03 0.00 -1.01 0.00 0.00 31.44 29.11 3gx4 n GLU 51 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 3gx4 n THR 52 N -2.72 1.39 1.18 2.62 5.66 -0.68 -4.87 114.28 116.84 3gx4 n THR 52 Ca -0.29 -0.35 0.03 0.00 -3.05 0.00 0.00 64.05 60.40 3gx4 n THR 52 Cb 1.09 -0.64 0.18 0.00 -1.55 0.00 0.00 70.33 69.40 3gx4 n THR 52 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3gx4 n HIS 53 N 0.80 0.00 -3.47 1.09 8.25 -1.26 -4.85 115.22 115.78 3gx4 n HIS 53 Ca 0.14 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.24 3gx4 n HIS 53 Cb 0.26 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.30 3gx4 n HIS 53 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gx4 s VAL 54 N -2.00 5.26 0.00 1.59 1.01 -1.26 -4.92 120.40 120.08 3gx4 s VAL 54 Ca 0.09 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 3gx4 s VAL 54 Cb 0.04 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 3gx4 s VAL 54 CO 0.07 0.38 2.04 -0.81 0.00 0.00 0.00 175.10 176.78 3gx4 n PRO 55 N 3.50 1.00 0.06 2.72 -0.04 -1.26 -4.67 135.00 136.31 3gx4 n PRO 55 Ca -0.11 -0.48 0.20 0.00 -0.04 0.00 0.00 63.50 63.08 3gx4 n PRO 55 Cb 0.52 -1.71 0.59 0.00 -0.04 0.00 0.00 33.50 32.85 3gx4 n PRO 55 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3gx4 h TRP 56 N 4.25 0.00 0.00 0.54 5.08 -1.94 0.27 115.95 124.15 3gx4 h TRP 56 Ca 0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.06 3gx4 h TRP 56 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 3gx4 h TRP 56 CO 1.32 0.00 0.00 -2.39 -1.28 0.00 0.00 178.44 176.09 3gx4 n HIS 57 N -3.31 0.35 1.10 0.12 1.44 -1.26 -2.26 115.22 111.39 3gx4 n HIS 57 Ca 0.10 0.13 0.07 0.00 -2.01 0.00 0.00 57.72 56.01 3gx4 n HIS 57 Cb 0.91 -0.71 0.22 0.00 0.12 0.00 0.00 29.99 30.53 3gx4 n HIS 57 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3gx4 n ARG 58 N -1.81 1.70 -3.91 -1.40 1.74 0.94 -4.80 116.66 109.12 3gx4 n ARG 58 Ca 0.04 -1.08 -0.36 0.00 -0.77 0.00 0.00 57.85 55.68 3gx4 n ARG 58 Cb 0.24 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.27 3gx4 n ARG 58 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gx4 s VAL 59 N -1.65 3.99 0.25 1.55 1.01 -0.96 0.18 120.40 124.76 3gx4 s VAL 59 Ca 0.24 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3gx4 s VAL 59 Cb 0.13 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3gx4 s VAL 59 CO 0.18 0.39 0.17 2.30 0.00 0.00 0.00 175.10 178.14 3gx4 n ILE 60 N 4.61 0.00 -2.99 2.22 -5.35 0.65 -4.92 119.36 113.57 3gx4 n ILE 60 Ca -0.17 -1.70 -0.29 0.00 -0.27 0.00 0.00 62.75 60.33 3gx4 n ILE 60 Cb 0.51 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.18 3gx4 n ILE 60 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3gx4 s ASN 61 N -2.67 6.42 0.00 7.28 4.22 -0.92 -0.67 114.94 128.60 3gx4 s ASN 61 Ca 0.24 0.91 0.23 0.00 -2.14 0.00 0.00 52.86 52.10 3gx4 s ASN 61 Cb 0.01 -2.23 1.31 0.00 1.28 0.00 0.00 41.25 41.62 3gx4 s ASN 61 CO 0.17 -0.37 1.75 -1.54 -2.04 0.00 0.00 177.10 175.07 3gx4 n SER 62 N -1.44 0.00 -0.55 3.54 3.41 -1.26 0.14 113.62 117.45 3gx4 n SER 62 Ca 0.00 -0.52 0.05 0.00 -0.26 0.00 0.00 58.87 58.14 3gx4 n SER 62 Cb 0.54 -0.08 0.15 0.00 -0.26 0.00 0.00 64.21 64.56 3gx4 n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gx4 n ARG 63 N -1.08 1.70 -1.10 4.33 1.74 -1.26 -4.94 116.66 116.04 3gx4 n ARG 63 Ca 0.15 -1.08 -0.03 0.00 -0.77 0.00 0.00 57.85 56.12 3gx4 n ARG 63 Cb 0.11 -1.24 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 3gx4 n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gx4 n GLY 64 N 0.99 0.64 0.40 -0.13 0.00 0.36 -4.89 105.19 102.56 3gx4 n GLY 64 Ca 0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 3gx4 n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gx4 n THR 65 N -2.87 0.00 -4.86 2.61 -2.24 -1.25 -1.71 114.28 103.97 3gx4 n THR 65 Ca -0.03 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 3gx4 n THR 65 Cb 0.12 -0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 3gx4 n THR 65 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gx4 s ILE 66 N -0.56 3.13 0.23 2.28 1.01 -1.10 -2.17 121.20 124.02 3gx4 s ILE 66 Ca 0.02 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.71 3gx4 s ILE 66 Cb -0.00 -2.24 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 3gx4 s ILE 66 CO 0.01 0.59 0.88 -0.44 0.00 0.00 0.00 174.94 175.98 3gx4 s SER 67 N -0.66 7.47 0.11 3.58 0.01 -1.26 -4.70 113.70 118.25 3gx4 s SER 67 Ca 0.10 1.80 0.14 0.00 1.31 0.00 0.00 55.95 59.30 3gx4 s SER 67 Cb -0.11 -2.56 0.64 0.00 0.21 0.00 0.00 66.02 64.20 3gx4 s SER 67 CO 0.01 0.12 1.44 0.29 0.41 0.00 0.00 173.24 175.51 3gx4 n LYS 68 N 1.28 0.07 -1.29 12.44 4.76 -1.26 -4.69 118.16 129.47 3gx4 n LYS 68 Ca -0.02 0.42 -0.06 0.00 -2.87 0.00 0.00 58.31 55.77 3gx4 n LYS 68 Cb 0.48 -1.66 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 3gx4 n LYS 68 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3gx4 n ARG 69 N -1.80 -1.25 0.00 1.97 0.63 -1.26 -4.73 116.66 110.21 3gx4 n ARG 69 Ca 0.01 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 3gx4 n ARG 69 Cb 0.12 -4.53 0.00 0.00 0.45 0.00 0.00 32.46 28.50 3gx4 n ARG 69 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3gx4 n ASP 70 N 0.11 0.00 0.00 6.15 5.75 -1.26 -4.34 116.55 122.96 3gx4 n ASP 70 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 3gx4 n ASP 70 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3gx4 n ASP 70 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3gx4 n ILE 71 N 0.00 0.00 -1.39 2.12 5.41 -1.26 -4.30 119.36 119.93 3gx4 n ILE 71 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.92 3gx4 n ILE 71 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 3gx4 n ILE 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3gx4 n SER 72 N 0.00 -7.71 0.16 4.38 3.41 -1.26 -4.79 113.62 107.80 3gx4 n SER 72 Ca 0.00 1.34 0.04 0.00 -0.26 0.00 0.00 58.87 60.00 3gx4 n SER 72 Cb 0.00 -4.76 0.10 0.00 -0.26 0.00 0.00 64.21 59.30 3gx4 n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gx4 h ALA 73 N -1.37 0.76 0.00 7.33 0.00 -1.88 -3.43 119.26 120.67 3gx4 h ALA 73 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3gx4 h ALA 73 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3gx4 h ALA 73 CO 0.07 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.26 3gx4 n GLY 74 N 1.04 0.00 0.00 0.00 0.00 -1.26 -0.31 105.19 104.66 3gx4 n GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gx4 n GLY 74 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gx4 n GLU 75 N -1.66 0.00 -0.30 1.61 0.28 -1.26 0.86 120.64 120.17 3gx4 n GLU 75 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 3gx4 n GLU 75 Cb 0.00 -1.17 0.29 0.00 1.43 0.00 0.00 31.44 31.98 3gx4 n GLU 75 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3gx4 h GLN 76 N 0.00 0.30 -0.79 3.44 5.75 -1.06 -2.79 115.11 119.96 3gx4 h GLN 76 Ca 0.00 -0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.64 3gx4 h GLN 76 Cb 0.17 -0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.55 3gx4 h GLN 76 CO 0.00 0.20 0.32 -0.09 -2.65 0.00 0.00 178.83 176.61 3gx4 h ARG 77 N 0.31 0.43 -0.17 1.69 2.43 0.22 0.35 114.38 119.64 3gx4 h ARG 77 Ca 0.54 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.70 3gx4 h ARG 77 Cb 1.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 3gx4 h ARG 77 CO -0.57 0.28 0.05 0.37 -1.51 0.00 0.00 179.97 178.60 3gx4 h GLN 78 N 0.44 0.13 -0.87 0.20 4.15 -1.71 -2.81 115.11 114.64 3gx4 h GLN 78 Ca 0.44 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.83 3gx4 h GLN 78 Cb 0.71 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 3gx4 h GLN 78 CO -0.43 0.09 0.46 -0.22 -1.93 0.00 0.00 178.83 176.79 3gx4 h LYS 79 N 0.14 1.24 0.00 1.69 3.64 -1.08 -0.74 116.57 121.46 3gx4 h LYS 79 Ca 0.07 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3gx4 h LYS 79 Cb 0.05 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3gx4 h LYS 79 CO -0.08 0.92 0.00 -0.25 -2.27 0.00 0.00 179.45 177.77 3gx4 n ASP 80 N -4.33 0.28 -0.11 4.20 8.00 -0.04 -1.14 116.55 123.41 3gx4 n ASP 80 Ca 0.09 0.58 -0.25 0.00 0.71 0.00 0.00 54.79 55.93 3gx4 n ASP 80 Cb 0.11 -0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 40.46 3gx4 n ASP 80 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gx4 n ARG 81 N -1.83 0.62 0.20 -1.24 5.12 -0.71 -2.99 116.66 115.83 3gx4 n ARG 81 Ca 0.02 0.31 0.04 0.00 -1.93 0.00 0.00 57.85 56.29 3gx4 n ARG 81 Cb 0.16 -1.58 0.40 0.00 -1.16 0.00 0.00 32.46 30.28 3gx4 n ARG 81 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3gx4 h LEU 82 N -0.66 0.00 -1.29 0.55 3.38 -0.62 0.24 115.31 116.90 3gx4 h LEU 82 Ca -0.57 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 3gx4 h LEU 82 Cb 1.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 3gx4 h LEU 82 CO -0.25 0.32 -0.29 -0.33 0.09 0.00 0.00 178.44 177.99 3gx4 h GLU 83 N 0.00 0.00 0.00 1.13 5.08 -1.26 -1.05 114.58 118.47 3gx4 h GLU 83 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gx4 h GLU 83 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3gx4 h GLU 83 CO 0.04 0.29 0.00 0.39 -1.00 0.00 0.00 179.01 178.73 3gx4 n GLU 84 N -3.68 0.32 -1.43 2.33 1.02 0.82 -0.26 120.64 119.77 3gx4 n GLU 84 Ca -0.01 0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 3gx4 n GLU 84 Cb 0.40 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.42 3gx4 n GLU 84 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gx4 n GLU 85 N -1.23 2.76 -0.97 3.49 1.02 -0.49 -4.91 120.64 120.32 3gx4 n GLU 85 Ca 0.10 -3.66 -0.05 0.00 -0.02 0.00 0.00 57.16 53.52 3gx4 n GLU 85 Cb 0.13 -2.09 -0.02 0.00 -0.02 0.00 0.00 31.44 29.44 3gx4 n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gx4 n GLY 86 N -0.91 0.46 3.77 0.62 0.00 0.64 -4.60 105.19 105.18 3gx4 n GLY 86 Ca 0.42 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 3gx4 n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gx4 s VAL 87 N -1.24 3.18 -0.12 1.61 1.01 -0.66 -4.98 120.40 119.21 3gx4 s VAL 87 Ca 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 3gx4 s VAL 87 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3gx4 s VAL 87 CO 0.00 -0.09 0.05 -0.70 0.00 0.00 0.00 175.10 174.36 3gx4 s GLU 88 N -2.98 3.32 -0.01 2.72 2.12 -1.26 -4.28 118.70 118.32 3gx4 s GLU 88 Ca 0.68 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.70 3gx4 s GLU 88 Cb -0.26 -2.98 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 3gx4 s GLU 88 CO 0.30 0.62 -0.07 0.42 -0.54 0.00 0.00 175.26 175.99 3gx4 s ILE 89 N -0.63 0.58 0.00 -3.70 1.01 -1.26 -4.65 121.20 112.54 3gx4 s ILE 89 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3gx4 s ILE 89 Cb -0.12 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.85 3gx4 s ILE 89 CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.14 3gx4 n TYR 90 N 3.05 0.00 -4.23 3.97 4.11 -0.20 -4.88 117.16 118.97 3gx4 n TYR 90 Ca -0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.62 3gx4 n TYR 90 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.80 3gx4 n TYR 90 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 3gx4 s GLN 91 N 0.48 1.07 0.04 -3.48 1.11 -1.26 0.21 119.66 117.83 3gx4 s GLN 91 Ca 0.00 -1.50 0.07 0.00 0.01 0.00 0.00 55.36 53.94 3gx4 s GLN 91 Cb 0.00 -0.30 -0.03 0.00 -1.01 0.00 0.00 33.01 31.66 3gx4 s GLN 91 CO 0.00 -0.09 -0.16 0.99 0.01 0.00 0.00 175.29 176.04 3gx4 s THR 92 N -3.61 2.94 -0.43 -0.19 2.01 -1.09 -4.93 115.64 110.34 3gx4 s THR 92 Ca 0.21 -1.14 -0.40 0.00 0.31 0.00 0.00 61.69 60.67 3gx4 s THR 92 Cb 0.06 -2.26 -0.17 0.00 0.01 0.00 0.00 72.50 70.14 3gx4 s THR 92 CO 0.02 0.33 1.41 -1.54 -0.69 0.00 0.00 174.62 174.15 3gx4 n SER 93 N 1.48 1.01 -1.89 3.53 3.41 -1.26 -2.46 113.62 117.44 3gx4 n SER 93 Ca -0.16 0.99 -0.02 0.00 -0.26 0.00 0.00 58.87 59.42 3gx4 n SER 93 Cb 0.52 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3gx4 n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gx4 n LEU 94 N 3.67 -3.80 0.00 1.04 4.77 -1.26 -4.78 117.00 116.64 3gx4 n LEU 94 Ca 0.28 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3gx4 n LEU 94 Cb -0.05 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 3gx4 n LEU 94 CO 0.77 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 3gx4 n GLY 95 N -0.25 0.00 0.00 -0.72 0.00 -1.03 -4.87 105.19 98.32 3gx4 n GLY 95 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3gx4 n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gx4 n GLU 96 N 0.00 0.00 -1.79 1.61 -0.58 -1.26 -2.86 120.64 115.76 3gx4 n GLU 96 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 3gx4 n GLU 96 Cb 0.00 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 30.91 3gx4 n GLU 96 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3gx4 s TYR 97 N 0.00 2.28 0.07 -0.32 2.02 -1.26 -2.67 117.35 117.48 3gx4 s TYR 97 Ca 0.00 1.38 -0.26 0.00 -0.37 0.00 0.00 57.07 57.82 3gx4 s TYR 97 Cb 0.00 -3.79 0.09 0.00 -0.40 0.00 0.00 41.96 37.85 3gx4 s TYR 97 CO 0.00 -2.89 0.75 0.21 -1.57 0.00 0.00 175.55 172.05 3gx4 s LYS 98 N -2.92 1.03 0.33 -0.62 2.20 0.13 -2.70 119.74 117.20 3gx4 s LYS 98 Ca 0.72 -0.38 -0.02 0.00 -0.36 0.00 0.00 55.97 55.93 3gx4 s LYS 98 Cb -0.40 0.48 -0.00 0.00 -1.51 0.00 0.00 37.83 36.39 3gx4 s LYS 98 CO 0.47 -0.45 0.44 -0.48 -0.36 0.00 0.00 175.35 174.97 3gx4 s LEU 99 N -2.61 1.06 -0.44 5.43 0.05 -0.69 -1.03 118.68 120.45 3gx4 s LEU 99 Ca 0.03 -1.48 -0.22 0.00 0.05 0.00 0.00 54.13 52.52 3gx4 s LEU 99 Cb -0.01 1.33 0.02 0.00 -2.05 0.00 0.00 46.19 45.49 3gx4 s LEU 99 CO -0.11 -1.24 0.72 0.21 -0.55 0.00 0.00 176.35 175.38 3gx4 s ASN 100 N -3.23 6.38 -0.07 1.48 3.84 -1.26 -4.84 114.94 117.23 3gx4 s ASN 100 Ca 0.31 -0.18 -0.24 0.00 0.21 0.00 0.00 52.86 52.97 3gx4 s ASN 100 Cb 0.00 -2.35 -0.30 0.00 -0.55 0.00 0.00 41.25 38.05 3gx4 s ASN 100 CO 0.20 -0.83 0.87 0.25 -2.79 0.00 0.00 177.10 174.80 3gx4 h LEU 101 N 9.89 0.35 -1.52 3.21 5.85 -1.93 -2.21 115.31 128.96 3gx4 h LEU 101 Ca -0.25 -0.96 0.10 0.00 0.84 0.00 0.00 57.88 57.61 3gx4 h LEU 101 Cb 1.09 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 3gx4 h LEU 101 CO 0.92 1.29 0.45 -0.65 -0.34 0.00 0.00 178.44 180.12 3gx4 h PRO 102 N -0.52 0.52 -0.10 5.25 0.11 -1.94 1.20 132.00 136.51 3gx4 h PRO 102 Ca -0.10 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.88 3gx4 h PRO 102 Cb 1.47 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3gx4 h PRO 102 CO 0.11 0.34 -0.30 1.49 -0.21 0.00 0.00 178.00 179.44 3gx4 h GLU 103 N 0.54 0.39 -0.00 1.05 4.81 -1.90 -3.33 114.58 116.12 3gx4 h GLU 103 Ca 0.32 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gx4 h GLU 103 Cb 0.53 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3gx4 h GLU 103 CO -0.10 0.89 -0.54 0.66 -0.73 0.00 0.00 179.01 179.20 3gx4 n TYR 104 N -4.42 0.00 -1.92 0.92 4.02 -0.66 -4.96 117.16 110.14 3gx4 n TYR 104 Ca -0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.42 3gx4 n TYR 104 Cb 0.48 -0.12 0.01 0.00 -0.02 0.00 0.00 39.34 39.69 3gx4 n TYR 104 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 3gx4 s MET 105 N -2.78 3.78 -0.55 -0.72 1.75 0.40 0.77 119.30 121.96 3gx4 s MET 105 Ca 0.15 2.28 -0.26 0.00 -1.25 0.00 0.00 55.69 56.61 3gx4 s MET 105 Cb 0.18 -2.67 0.03 0.00 2.84 0.00 0.00 34.83 35.21 3gx4 s MET 105 CO 0.67 -0.69 1.06 -0.46 -0.65 0.00 0.00 175.02 174.94 3gx4 s TRP 106 N -1.24 2.73 -0.57 4.11 -0.00 0.20 -4.66 118.94 119.51 3gx4 s TRP 106 Ca 0.60 0.26 -0.06 0.00 -0.00 0.00 0.00 56.10 56.90 3gx4 s TRP 106 Cb -0.41 -4.27 0.15 0.00 -0.00 0.00 0.00 33.47 28.94 3gx4 s TRP 106 CO 0.52 -1.41 0.41 0.15 -0.00 0.00 0.00 176.95 176.62 3gx4 s LYS 107 N 4.38 2.57 0.00 5.86 1.02 -1.26 -4.95 119.74 127.36 3gx4 s LYS 107 Ca 0.38 -2.19 0.27 0.00 0.02 0.00 0.00 55.97 54.45 3gx4 s LYS 107 Cb -0.10 -3.85 0.73 0.00 -0.52 0.00 0.00 37.83 34.09 3gx4 s LYS 107 CO 0.24 -1.18 1.56 -0.35 -0.92 0.00 0.00 175.35 174.70