#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1x n ILE 2 N 0.00 0.00 -0.30 0.52 -0.00 -1.26 -5.04 119.36 113.28 1g1x n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g1x n ILE 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1g1x n ILE 2 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1g1x n THR 3 N -1.83 -0.60 0.00 7.28 -1.04 -1.26 -5.09 114.28 111.74 1g1x n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1g1x n THR 3 Cb 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1g1x n THR 3 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1g1x n LYS 4 N 0.91 0.00 0.00 -2.82 0.00 -1.26 -4.97 118.16 110.03 1g1x n LYS 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1g1x n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1g1x n LYS 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1g1x n GLU 5 N -0.76 2.75 0.28 -1.58 0.00 -1.26 -4.57 120.64 115.51 1g1x n GLU 5 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.34 1g1x n GLU 5 Cb 0.00 -0.97 0.73 0.00 0.00 0.00 0.00 31.44 31.20 1g1x n GLU 5 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1g1x h GLU 6 N 0.00 0.00 0.19 5.31 4.11 -2.00 -2.95 114.58 119.24 1g1x h GLU 6 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1g1x h GLU 6 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1g1x h GLU 6 CO 0.00 0.01 -0.09 0.87 0.07 0.00 0.00 179.01 179.86 1g1x h LYS 7 N 0.00 -0.25 -1.69 1.06 1.57 -1.93 -0.90 116.57 114.42 1g1x h LYS 7 Ca -0.00 0.02 0.51 0.00 -1.87 0.00 0.00 60.65 59.31 1g1x h LYS 7 Cb 0.47 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.74 1g1x h LYS 7 CO 0.00 -0.17 1.19 0.94 -0.57 0.00 0.00 179.45 180.84 1g1x n GLN 8 N -2.71 -0.01 0.05 3.15 7.27 -1.12 -0.31 117.38 123.70 1g1x n GLN 8 Ca -0.03 1.07 -0.02 0.00 0.07 0.00 0.00 57.00 58.09 1g1x n GLN 8 Cb 0.10 -2.35 -0.01 0.00 2.41 0.00 0.00 30.24 30.39 1g1x n GLN 8 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1g1x h LYS 9 N 0.00 -0.13 -0.94 3.69 1.57 -1.30 -1.45 116.57 118.01 1g1x h LYS 9 Ca 0.87 0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.95 1g1x h LYS 9 Cb 3.29 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 35.48 1g1x h LYS 9 CO -0.15 -0.09 0.29 0.28 -0.57 0.00 0.00 179.45 179.22 1g1x h VAL 10 N -0.27 0.20 0.31 0.50 2.07 0.45 0.27 116.25 119.77 1g1x h VAL 10 Ca -0.01 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1g1x h VAL 10 Cb 0.10 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1g1x h VAL 10 CO 0.02 0.03 -0.22 0.40 0.02 0.00 0.00 177.57 177.82 1g1x h ILE 11 N 0.15 0.00 -0.02 4.57 2.04 -0.70 -1.12 117.51 122.42 1g1x h ILE 11 Ca 0.64 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.50 1g1x h ILE 11 Cb 1.41 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1g1x h ILE 11 CO -0.73 0.00 0.20 1.56 0.00 0.00 0.00 178.15 179.18 1g1x h GLN 12 N -0.50 0.00 -0.10 2.37 4.20 0.01 0.40 115.11 121.50 1g1x h GLN 12 Ca -0.04 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 1g1x h GLN 12 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1g1x h GLN 12 CO 0.02 0.00 -0.70 1.49 -0.67 0.00 0.00 178.83 178.97 1g1x h GLU 13 N 0.00 0.44 -0.01 1.46 4.57 0.35 -3.33 114.58 118.06 1g1x h GLU 13 Ca 0.01 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1g1x h GLU 13 Cb 0.40 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1g1x h GLU 13 CO -0.00 0.97 -0.27 1.19 -1.18 0.00 0.00 179.01 179.72 1g1x n PHE 14 N -3.86 0.00 -1.66 0.92 3.01 0.11 -5.00 117.46 110.98 1g1x n PHE 14 Ca -0.04 0.00 -0.50 0.00 1.01 0.00 0.00 57.45 57.91 1g1x n PHE 14 Cb 0.69 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.11 1g1x n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1g1x n ALA 15 N -0.33 0.37 1.28 4.37 0.00 0.55 -4.49 120.51 122.26 1g1x n ALA 15 Ca 0.05 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.98 1g1x n ALA 15 Cb 0.24 -2.30 0.51 0.00 0.00 0.00 0.00 19.45 17.89 1g1x n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g1x n ARG 16 N 4.50 0.64 0.00 0.00 1.74 -1.26 -4.83 116.66 117.44 1g1x n ARG 16 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1g1x n ARG 16 Cb 0.23 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1g1x n ARG 16 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1g1x n PHE 17 N -0.92 0.00 -1.95 -1.55 1.16 -1.26 -5.05 117.46 107.89 1g1x n PHE 17 Ca 0.13 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.30 1g1x n PHE 17 Cb 0.06 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.90 1g1x n PHE 17 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 1g1x s PRO 18 N -2.00 2.92 0.00 3.97 0.02 -1.26 -2.48 135.00 136.17 1g1x s PRO 18 Ca 0.00 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.16 1g1x s PRO 18 Cb 0.00 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.20 1g1x s PRO 18 CO 0.00 -2.36 0.00 0.41 -0.33 0.00 0.00 177.00 174.72 1g1x n GLY 19 N 5.61 1.39 3.61 0.52 0.00 -1.26 -5.09 105.19 109.96 1g1x n GLY 19 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1g1x n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g1x s ASP 20 N -1.61 6.74 -0.00 1.61 2.15 -1.03 -4.86 116.67 119.65 1g1x s ASP 20 Ca 0.00 0.68 0.08 0.00 0.43 0.00 0.00 52.55 53.74 1g1x s ASP 20 Cb 0.00 -2.49 -0.08 0.00 -0.30 0.00 0.00 42.92 40.04 1g1x s ASP 20 CO 0.00 -0.91 0.31 0.35 -0.17 0.00 0.00 175.17 174.75 1g1x n THR 21 N 6.05 0.00 -1.83 1.71 -2.24 -1.26 -4.59 114.28 112.12 1g1x n THR 21 Ca 0.09 -0.31 0.04 0.00 -2.27 0.00 0.00 64.05 61.60 1g1x n THR 21 Cb 0.48 0.96 0.06 0.00 -2.10 0.00 0.00 70.33 69.73 1g1x n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g1x n GLY 22 N 1.23 2.25 3.52 3.38 0.00 -1.26 -4.71 105.19 109.60 1g1x n GLY 22 Ca 0.01 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1g1x n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g1x s SER 23 N -1.94 1.23 0.08 1.61 1.04 -1.26 -4.62 113.70 109.84 1g1x s SER 23 Ca 0.20 1.55 -0.31 0.00 0.48 0.00 0.00 55.95 57.86 1g1x s SER 23 Cb 0.20 -2.29 -0.16 0.00 0.10 0.00 0.00 66.02 63.86 1g1x s SER 23 CO -0.04 -4.05 1.63 0.74 0.98 0.00 0.00 173.24 172.50 1g1x h THR 24 N -2.52 0.36 -1.01 2.02 2.02 -1.98 -0.95 112.91 110.86 1g1x h THR 24 Ca -0.60 0.00 0.22 0.00 0.77 0.00 0.00 66.41 66.81 1g1x h THR 24 Cb 1.33 0.36 -0.11 0.00 -1.74 0.00 0.00 68.15 67.99 1g1x h THR 24 CO 0.50 0.00 0.61 -0.33 0.37 0.00 0.00 175.52 176.67 1g1x h GLU 25 N -0.77 0.62 0.20 6.66 3.07 -1.90 0.06 114.58 122.52 1g1x h GLU 25 Ca -0.06 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1g1x h GLU 25 Cb 0.63 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1g1x h GLU 25 CO 0.05 0.41 -0.10 0.28 -1.40 0.00 0.00 179.01 178.25 1g1x h VAL 26 N 0.63 0.89 -0.85 3.13 2.07 -1.70 -1.31 116.25 119.12 1g1x h VAL 26 Ca 0.61 -0.72 0.19 0.00 0.82 0.00 0.00 66.70 67.60 1g1x h VAL 26 Cb 1.12 1.30 -0.11 0.00 -1.52 0.00 0.00 31.29 32.07 1g1x h VAL 26 CO -0.41 0.16 0.36 1.56 0.02 0.00 0.00 177.57 179.25 1g1x h GLN 27 N -0.65 0.42 -0.27 1.57 4.20 0.27 0.19 115.11 120.83 1g1x h GLN 27 Ca -0.03 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1g1x h GLN 27 Cb 0.46 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1g1x h GLN 27 CO 0.05 0.28 -0.32 0.28 -0.67 0.00 0.00 178.83 178.44 1g1x h VAL 28 N 0.43 1.28 0.06 -0.54 2.07 -0.94 -1.65 116.25 116.97 1g1x h VAL 28 Ca 0.50 -1.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1g1x h VAL 28 Cb 0.88 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1g1x h VAL 28 CO -0.48 0.46 -0.03 0.00 0.02 0.00 0.00 177.57 177.54 1g1x h ALA 29 N 1.16 -0.09 -0.32 1.67 0.00 0.49 0.39 119.26 122.57 1g1x h ALA 29 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1g1x h ALA 29 Cb 0.80 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1g1x h ALA 29 CO 0.07 -0.38 0.16 -0.07 0.00 0.00 0.00 179.25 179.03 1g1x h LEU 30 N -0.42 0.24 -1.53 0.00 4.07 -1.05 -1.20 115.31 115.43 1g1x h LEU 30 Ca -0.01 0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1g1x h LEU 30 Cb 0.37 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 1g1x h LEU 30 CO 0.01 0.18 0.34 0.25 -1.08 0.00 0.00 178.44 178.15 1g1x h LEU 31 N 0.34 0.54 -0.73 1.67 6.46 -1.24 0.30 115.31 122.64 1g1x h LEU 31 Ca 0.13 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.83 1g1x h LEU 31 Cb 0.04 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1g1x h LEU 31 CO -0.09 0.38 0.25 0.74 -0.62 0.00 0.00 178.44 179.09 1g1x h THR 32 N 0.63 1.26 -0.51 1.05 2.02 0.21 -1.58 112.91 115.99 1g1x h THR 32 Ca 0.20 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1g1x h THR 32 Cb 0.04 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1g1x h THR 32 CO -0.05 0.34 0.29 0.25 0.37 0.00 0.00 175.52 176.73 1g1x h LEU 33 N 1.08 0.62 -0.12 2.58 6.46 0.08 -1.23 115.31 124.77 1g1x h LEU 33 Ca 0.24 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1g1x h LEU 33 Cb 0.28 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1g1x h LEU 33 CO -0.01 0.51 0.02 0.03 -0.62 0.00 0.00 178.44 178.37 1g1x h ARG 34 N 0.67 0.20 -0.49 1.25 3.08 -1.15 -0.88 114.38 117.06 1g1x h ARG 34 Ca 0.18 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.25 1g1x h ARG 34 Cb 0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 1g1x h ARG 34 CO -0.03 0.39 0.16 0.82 -1.07 0.00 0.00 179.97 180.23 1g1x h ILE 35 N -0.02 0.81 -0.22 2.04 2.04 -1.04 0.23 117.51 121.36 1g1x h ILE 35 Ca 0.04 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1g1x h ILE 35 Cb 0.28 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1g1x h ILE 35 CO 0.00 0.06 0.05 0.78 0.00 0.00 0.00 178.15 179.04 1g1x h ASN 36 N 0.32 0.34 -0.17 1.72 2.35 -1.15 0.32 115.58 119.32 1g1x h ASN 36 Ca 0.24 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1g1x h ASN 36 Cb 0.27 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1g1x h ASN 36 CO -0.26 0.49 -0.07 -0.09 -1.65 0.00 0.00 177.43 175.86 1g1x h ARG 37 N 0.17 -0.04 -0.33 0.81 2.43 -0.45 -1.61 114.38 115.36 1g1x h ARG 37 Ca 0.07 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1g1x h ARG 37 Cb 0.29 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1g1x h ARG 37 CO 0.00 -0.02 0.20 1.25 -1.51 0.00 0.00 179.97 179.89 1g1x h LEU 38 N -0.04 0.34 -1.03 3.80 6.46 -0.37 -0.85 115.31 123.62 1g1x h LEU 38 Ca 0.09 -0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.95 1g1x h LEU 38 Cb 0.17 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 39.95 1g1x h LEU 38 CO -0.20 0.25 0.63 0.28 -0.62 0.00 0.00 178.44 178.78 1g1x h SER 39 N 0.42 0.95 0.29 1.25 0.02 -0.67 0.52 113.55 116.32 1g1x h SER 39 Ca 0.12 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1g1x h SER 39 Cb -0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1g1x h SER 39 CO -0.04 0.54 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.56 1g1x h GLU 40 N 1.04 0.03 -0.12 3.45 5.08 -0.48 -1.26 114.58 122.31 1g1x h GLU 40 Ca 0.47 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.62 1g1x h GLU 40 Cb 0.39 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1g1x h GLU 40 CO -0.23 0.33 -0.73 1.25 -1.00 0.00 0.00 179.01 178.63 1g1x h HIS 41 N 0.03 0.96 0.00 4.33 2.76 0.12 -3.21 115.15 120.13 1g1x h HIS 41 Ca 0.00 -0.44 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1g1x h HIS 41 Cb 0.55 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1g1x h HIS 41 CO 0.00 1.26 0.00 1.28 -1.30 0.00 0.00 177.93 179.17 1g1x n LEU 42 N -4.02 0.49 0.12 0.26 4.77 0.12 -1.42 117.00 117.32 1g1x n LEU 42 Ca -0.08 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1g1x n LEU 42 Cb 0.72 -0.48 0.33 0.00 -2.33 0.00 0.00 43.42 41.66 1g1x n LEU 42 CO 0.51 -0.32 0.79 0.11 -1.33 0.00 0.00 177.39 177.16 1g1x h LYS 43 N 0.00 0.00 0.00 3.23 1.57 -1.25 -3.22 116.57 116.90 1g1x h LYS 43 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1g1x h LYS 43 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1g1x h LYS 43 CO 0.00 0.00 -1.33 0.28 -0.57 0.00 0.00 179.45 177.83 1g1x n VAL 44 N -2.39 1.50 -2.92 0.50 0.31 -0.98 -4.58 118.33 109.76 1g1x n VAL 44 Ca 0.05 0.01 -0.44 0.00 -0.01 0.00 0.00 64.34 63.95 1g1x n VAL 44 Cb 0.45 -2.21 -0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1g1x n VAL 44 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1g1x s HIS 45 N -2.65 3.40 0.18 3.52 3.76 -0.51 -4.81 115.29 118.18 1g1x s HIS 45 Ca -0.29 -2.01 -0.13 0.00 -0.15 0.00 0.00 55.06 52.48 1g1x s HIS 45 Cb 0.07 -4.34 0.08 0.00 1.11 0.00 0.00 32.58 29.50 1g1x s HIS 45 CO 0.42 -1.44 1.83 0.87 -0.85 0.00 0.00 174.74 175.58 1g1x h LYS 46 N 7.40 0.77 -0.72 1.40 1.57 -1.80 -3.08 116.57 122.11 1g1x h LYS 46 Ca 0.31 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1g1x h LYS 46 Cb 0.89 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1g1x h LYS 46 CO 1.24 0.53 0.00 1.63 -0.57 0.00 0.00 179.45 182.29 1g1x n LYS 47 N -4.66 2.08 -2.57 3.15 5.02 -1.26 -4.55 118.16 115.37 1g1x n LYS 47 Ca 0.04 -0.97 -0.43 0.00 -2.02 0.00 0.00 58.31 54.93 1g1x n LYS 47 Cb 0.03 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1g1x n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1g1x n ASP 48 N 0.20 5.03 0.16 4.39 2.03 -1.16 -4.74 116.55 122.45 1g1x n ASP 48 Ca 0.09 -3.01 0.03 0.00 0.52 0.00 0.00 54.79 52.42 1g1x n ASP 48 Cb 0.47 -1.56 0.43 0.00 -0.72 0.00 0.00 41.12 39.74 1g1x n ASP 48 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1g1x h HIS 49 N 6.54 0.14 -0.18 -0.67 3.86 -1.89 -2.71 115.15 120.23 1g1x h HIS 49 Ca 0.38 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1g1x h HIS 49 Cb 0.76 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 1g1x h HIS 49 CO 1.22 0.30 -0.08 0.45 0.86 0.00 0.00 177.93 180.68 1g1x h HIS 50 N 0.12 0.43 0.00 2.45 3.86 -1.99 -2.48 115.15 117.55 1g1x h HIS 50 Ca 0.02 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1g1x h HIS 50 Cb 0.38 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1g1x h HIS 50 CO 0.00 0.68 -0.19 0.77 0.86 0.00 0.00 177.93 180.05 1g1x h SER 51 N 0.07 0.00 -0.33 2.45 0.02 -1.96 -2.31 113.55 111.49 1g1x h SER 51 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1g1x h SER 51 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1g1x h SER 51 CO 0.03 0.19 0.20 -0.74 -1.14 0.00 0.00 176.83 175.36 1g1x h HIS 52 N 0.00 0.43 -0.93 3.45 6.17 -1.15 -2.01 115.15 121.11 1g1x h HIS 52 Ca -0.00 0.00 0.14 0.00 0.71 0.00 0.00 60.37 61.22 1g1x h HIS 52 Cb 0.63 -0.14 -0.09 0.00 2.52 0.00 0.00 27.41 30.33 1g1x h HIS 52 CO 0.00 0.30 0.55 -0.09 0.71 0.00 0.00 177.93 179.40 1g1x h ARG 53 N 0.43 0.79 0.00 5.26 2.43 -0.97 0.21 114.38 122.52 1g1x h ARG 53 Ca 0.12 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1g1x h ARG 53 Cb -0.01 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1g1x h ARG 53 CO -0.02 0.52 -0.12 0.78 -1.51 0.00 0.00 179.97 179.62 1g1x h GLY 54 N 0.81 0.00 0.77 2.80 0.00 -1.38 0.05 103.07 106.12 1g1x h GLY 54 Ca 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.76 1g1x h GLY 54 CO -0.31 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.11 1g1x h LEU 55 N 0.00 0.39 -0.35 3.11 7.12 -0.19 -1.18 115.31 124.21 1g1x h LEU 55 Ca -0.00 -0.44 0.01 0.00 0.13 0.00 0.00 57.88 57.58 1g1x h LEU 55 Cb 0.27 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 1g1x h LEU 55 CO 0.02 0.75 0.21 -0.07 -0.13 0.00 0.00 178.44 179.21 1g1x h LEU 56 N 0.03 0.34 -0.24 2.25 4.07 -0.42 -0.25 115.31 121.09 1g1x h LEU 56 Ca 0.03 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.01 1g1x h LEU 56 Cb 0.62 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1g1x h LEU 56 CO 0.03 0.25 0.10 0.24 -1.08 0.00 0.00 178.44 177.98 1g1x h MET 57 N 0.43 0.22 0.40 1.13 2.86 -0.95 -0.36 114.93 118.66 1g1x h MET 57 Ca 0.14 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1g1x h MET 57 Cb -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1g1x h MET 57 CO -0.06 0.14 -0.29 0.52 1.06 0.00 0.00 176.91 178.29 1g1x h MET 58 N 0.22 -0.65 -0.88 1.72 2.86 -0.88 0.11 114.93 117.43 1g1x h MET 58 Ca 0.10 0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.98 1g1x h MET 58 Cb 0.05 0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.80 1g1x h MET 58 CO -0.09 -0.43 0.59 0.28 1.06 0.00 0.00 176.91 178.31 1g1x h VAL 59 N -0.68 0.69 0.22 -2.22 2.07 -0.85 0.12 116.25 115.61 1g1x h VAL 59 Ca -0.04 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1g1x h VAL 59 Cb 0.58 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1g1x h VAL 59 CO 0.01 0.07 -0.11 1.23 0.02 0.00 0.00 177.57 178.80 1g1x h GLY 60 N 0.41 -0.31 1.05 2.17 0.00 -0.24 -2.75 103.07 103.40 1g1x h GLY 60 Ca 0.46 0.12 0.11 0.00 0.00 0.00 0.00 47.33 48.01 1g1x h GLY 60 CO -0.17 -0.11 0.38 -1.61 0.00 0.00 0.00 176.54 175.03 1g1x h GLN 61 N -0.74 0.31 -0.20 4.80 5.75 0.65 -0.62 115.11 125.05 1g1x h GLN 61 Ca -0.03 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 1g1x h GLN 61 Cb 0.50 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1g1x h GLN 61 CO 0.05 0.20 -0.33 -0.09 -2.65 0.00 0.00 178.83 176.01 1g1x h ARG 62 N 0.31 0.42 -0.23 1.69 2.43 -0.71 -1.33 114.38 116.96 1g1x h ARG 62 Ca 0.26 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 1g1x h ARG 62 Cb 0.62 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1g1x h ARG 62 CO -0.06 0.70 -0.53 0.00 -1.51 0.00 0.00 179.97 178.57 1g1x h ARG 63 N 0.36 0.67 -0.71 0.20 3.08 -0.84 -1.24 114.38 115.90 1g1x h ARG 63 Ca 0.04 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 1g1x h ARG 63 Cb 0.76 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1g1x h ARG 63 CO 0.06 1.03 0.33 0.00 -1.07 0.00 0.00 179.97 180.32 1g1x h ARG 64 N 0.52 1.02 -0.08 0.04 3.08 -1.09 0.55 114.38 118.42 1g1x h ARG 64 Ca 0.02 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 1g1x h ARG 64 Cb 1.09 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1g1x h ARG 64 CO 0.11 0.80 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.56 1g1x h LEU 65 N 1.01 0.29 0.61 3.04 3.38 -1.06 -2.77 115.31 119.81 1g1x h LEU 65 Ca 0.24 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1g1x h LEU 65 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1g1x h LEU 65 CO -0.03 0.81 -0.43 -0.07 0.09 0.00 0.00 178.44 178.82 1g1x h LEU 66 N -0.22 -1.10 -0.99 1.67 3.38 -1.01 -1.77 115.31 115.27 1g1x h LEU 66 Ca 0.00 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.24 1g1x h LEU 66 Cb 0.77 0.34 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 1g1x h LEU 66 CO 0.04 -0.64 -0.24 0.54 0.09 0.00 0.00 178.44 178.23 1g1x n ARG 67 N -5.55 -0.09 -0.06 1.13 1.74 0.16 1.00 116.66 115.00 1g1x n ARG 67 Ca -0.13 1.54 -0.08 0.00 -0.77 0.00 0.00 57.85 58.41 1g1x n ARG 67 Cb 0.44 -2.30 -0.02 0.00 -1.02 0.00 0.00 32.46 29.56 1g1x n ARG 67 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1g1x h TYR 68 N 0.00 -0.67 0.06 -1.55 3.20 -1.08 -1.96 116.97 114.97 1g1x h TYR 68 Ca 0.48 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.41 1g1x h TYR 68 Cb 0.73 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 1g1x h TYR 68 CO -0.76 -0.33 -0.32 1.25 -1.64 0.00 0.00 178.16 176.36 1g1x h LEU 69 N -0.25 -0.96 -0.96 2.82 6.46 0.15 -0.75 115.31 121.82 1g1x h LEU 69 Ca 0.14 0.12 0.23 0.00 -0.12 0.00 0.00 57.88 58.25 1g1x h LEU 69 Cb 0.47 0.37 -0.12 0.00 -0.73 0.00 0.00 40.66 40.65 1g1x h LEU 69 CO -0.40 -0.40 0.52 -0.61 -0.62 0.00 0.00 178.44 176.93 1g1x h GLN 70 N -0.51 0.52 0.00 1.25 4.15 -0.40 0.54 115.11 120.65 1g1x h GLN 70 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1g1x h GLN 70 Cb 0.57 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1g1x h GLN 70 CO -0.23 0.34 -0.48 2.89 -1.93 0.00 0.00 178.83 179.42 1g1x n ARG 71 N -4.93 0.26 -0.05 1.69 1.85 -0.80 -2.64 116.66 112.04 1g1x n ARG 71 Ca 0.25 0.10 -0.11 0.00 -1.00 0.00 0.00 57.85 57.09 1g1x n ARG 71 Cb 0.69 -1.69 -0.15 0.00 -1.05 0.00 0.00 32.46 30.26 1g1x n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1g1x n GLU 72 N -2.08 0.67 -2.99 2.89 -0.58 0.51 -4.83 120.64 114.23 1g1x n GLU 72 Ca 0.04 0.19 0.02 0.00 -0.42 0.00 0.00 57.16 56.99 1g1x n GLU 72 Cb 0.43 -1.68 -0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1g1x n GLU 72 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1g1x s ASP 73 N -6.04 -0.82 0.62 1.62 -1.08 0.16 -5.02 116.67 106.10 1g1x s ASP 73 Ca -0.11 -0.31 0.40 0.00 -0.52 0.00 0.00 52.55 52.01 1g1x s ASP 73 Cb 0.07 1.14 2.02 0.00 -1.46 0.00 0.00 42.92 44.69 1g1x s ASP 73 CO 0.80 -0.10 2.23 1.55 0.52 0.00 0.00 175.17 180.17 1g1x h PRO 74 N 6.34 0.00 0.28 4.34 0.13 -1.59 -2.21 132.00 139.30 1g1x h PRO 74 Ca -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1g1x h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1g1x h PRO 74 CO -0.00 0.01 -0.13 0.93 -0.23 0.00 0.00 178.00 178.57 1g1x h GLU 75 N 0.00 -0.36 -0.72 0.86 5.08 -1.89 -1.85 114.58 115.69 1g1x h GLU 75 Ca -0.00 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1g1x h GLU 75 Cb 0.19 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1g1x h GLU 75 CO 0.00 -0.24 0.34 0.00 -1.00 0.00 0.00 179.01 178.11 1g1x h ARG 76 N -0.51 0.54 -0.98 2.33 3.08 -1.90 0.22 114.38 117.15 1g1x h ARG 76 Ca -0.04 -0.03 0.32 0.00 0.07 0.00 0.00 59.98 60.30 1g1x h ARG 76 Cb 0.29 -0.12 -0.15 0.00 0.08 0.00 0.00 29.97 30.06 1g1x h ARG 76 CO 0.06 0.35 0.49 -0.92 -1.07 0.00 0.00 179.97 178.89 1g1x h TYR 77 N 0.55 0.78 0.20 3.04 3.20 -1.35 -1.46 116.97 121.94 1g1x h TYR 77 Ca 0.37 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.27 1g1x h TYR 77 Cb 0.45 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1g1x h TYR 77 CO -0.12 -0.24 -0.10 -0.09 -1.64 0.00 0.00 178.16 175.97 1g1x h ARG 78 N 0.25 -0.26 -0.98 1.82 1.12 0.30 -2.56 114.38 114.06 1g1x h ARG 78 Ca 0.72 0.02 0.32 0.00 -1.11 0.00 0.00 59.98 59.93 1g1x h ARG 78 Cb 1.65 0.06 -0.16 0.00 -0.01 0.00 0.00 29.97 31.51 1g1x h ARG 78 CO -0.65 0.08 0.44 1.49 -3.11 0.00 0.00 179.97 178.21 1g1x h GLU 79 N -0.96 0.18 -0.02 0.20 4.81 -0.86 -0.41 114.58 117.53 1g1x h GLU 79 Ca -0.03 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1g1x h GLU 79 Cb 0.46 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.81 1g1x h GLU 79 CO 0.05 0.12 -0.42 0.97 -0.73 0.00 0.00 179.01 178.99 1g1x h ILE 80 N 0.19 1.46 -0.32 2.32 2.10 -1.42 -1.68 117.51 120.15 1g1x h ILE 80 Ca 0.71 -1.94 0.06 0.00 1.08 0.00 0.00 64.86 64.77 1g1x h ILE 80 Cb 1.66 2.57 -0.06 0.00 -1.09 0.00 0.00 36.82 39.90 1g1x h ILE 80 CO -0.69 0.55 -0.04 0.58 -1.08 0.00 0.00 178.15 177.47 1g1x h VAL 81 N -0.23 0.72 0.55 2.19 2.07 -0.66 -1.79 116.25 119.10 1g1x h VAL 81 Ca -0.05 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1g1x h VAL 81 Cb 1.13 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1g1x h VAL 81 CO 0.08 0.01 -0.26 -0.08 0.02 0.00 0.00 177.57 177.34 1g1x h GLU 82 N 0.04 -0.71 0.00 1.57 4.81 -1.48 -0.43 114.58 118.38 1g1x h GLU 82 Ca 0.16 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1g1x h GLU 82 Cb 0.23 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1g1x h GLU 82 CO -0.30 -0.40 0.11 1.17 -0.73 0.00 0.00 179.01 178.86 1g1x n LYS 83 N -5.30 0.00 0.00 1.92 4.81 -0.63 0.11 118.16 119.07 1g1x n LYS 83 Ca -0.11 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1g1x n LYS 83 Cb 0.33 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.77 1g1x n LYS 83 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1g1x n LEU 84 N -1.05 0.05 -2.40 3.14 4.77 -0.69 -5.02 117.00 115.79 1g1x n LEU 84 Ca 0.00 -0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 55.64 1g1x n LEU 84 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1g1x n LEU 84 CO 0.00 0.01 0.15 0.61 -1.33 0.00 0.00 177.39 176.83 1g1x n GLY 85 N 0.56 -0.95 3.36 -0.72 0.00 0.30 -5.07 105.19 102.67 1g1x n GLY 85 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 1g1x n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g1x s LEU 86 N -2.76 1.06 -0.10 0.99 1.43 -0.42 -5.02 118.68 113.85 1g1x s LEU 86 Ca 0.06 -1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 51.73 1g1x s LEU 86 Cb -0.02 0.93 -0.01 0.00 0.03 0.00 0.00 46.19 47.12 1g1x s LEU 86 CO 0.46 -1.04 -0.08 0.03 0.23 0.00 0.00 176.35 175.95 1g1x h ARG 87 N 2.35 0.00 0.00 1.70 -0.00 -1.99 -3.44 114.38 113.00 1g1x h ARG 87 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 1g1x h ARG 87 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 1g1x h ARG 87 CO 0.43 0.00 0.00 0.41 0.00 0.00 0.00 179.97 180.81