#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwg h GLN 3 N 0.00 0.00 0.00 -1.46 4.20 -2.00 -3.32 115.11 112.53 1gwg h GLN 3 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1gwg h GLN 3 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1gwg h GLN 3 CO 0.00 0.54 -1.73 0.44 -0.67 0.00 0.00 178.83 177.41 1gwg n ILE 4 N -3.79 0.43 -1.67 2.54 -5.35 -1.26 -4.97 119.36 105.28 1gwg n ILE 4 Ca -0.01 -0.57 -0.47 0.00 -0.27 0.00 0.00 62.75 61.42 1gwg n ILE 4 Cb 0.57 -0.21 -0.05 0.00 -1.74 0.00 0.00 39.64 38.21 1gwg n ILE 4 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1gwg n ARG 5 N -2.48 2.10 -3.66 6.28 0.63 -1.25 -4.88 116.66 113.39 1gwg n ARG 5 Ca -0.07 0.76 -0.07 0.00 -0.92 0.00 0.00 57.85 57.55 1gwg n ARG 5 Cb 0.66 -2.55 -0.09 0.00 0.45 0.00 0.00 32.46 30.93 1gwg n ARG 5 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1gwg s GLN 6 N 2.16 0.41 -1.57 -0.14 0.74 -1.26 -4.90 119.66 115.10 1gwg s GLN 6 Ca 0.85 1.08 0.00 0.00 0.05 0.00 0.00 55.36 57.34 1gwg s GLN 6 Cb -0.70 0.35 0.00 0.00 1.10 0.00 0.00 33.01 33.76 1gwg s GLN 6 CO 0.44 -0.22 0.00 -1.71 -0.55 0.00 0.00 175.29 173.25 1gwg n ASN 7 N 5.10 -4.97 -4.08 6.67 4.05 -1.26 -4.97 115.26 115.81 1gwg n ASN 7 Ca -0.13 0.16 -0.34 0.00 0.45 0.00 0.00 54.58 54.72 1gwg n ASN 7 Cb 0.51 -4.02 -0.13 0.00 1.23 0.00 0.00 39.78 37.37 1gwg n ASN 7 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1gwg s TYR 8 N -2.75 3.64 0.63 1.20 5.04 -1.26 -4.80 117.35 119.05 1gwg s TYR 8 Ca 0.00 -2.68 -0.16 0.00 -2.44 0.00 0.00 57.07 51.79 1gwg s TYR 8 Cb 0.00 -3.10 -0.01 0.00 0.35 0.00 0.00 41.96 39.19 1gwg s TYR 8 CO 0.00 -0.95 1.12 -1.54 -1.34 0.00 0.00 175.55 172.83 1gwg s SER 9 N 1.37 5.25 0.35 4.32 1.04 -1.26 -4.90 113.70 119.87 1gwg s SER 9 Ca 0.10 2.05 0.02 0.00 0.48 0.00 0.00 55.95 58.60 1gwg s SER 9 Cb -0.21 -2.56 0.64 0.00 0.10 0.00 0.00 66.02 63.98 1gwg s SER 9 CO -0.05 -1.53 2.01 0.74 0.98 0.00 0.00 173.24 175.38 1gwg h THR 10 N 0.33 1.16 -0.39 2.02 2.02 -1.99 -1.45 112.91 114.61 1gwg h THR 10 Ca -0.48 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 1gwg h THR 10 Cb 1.25 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1gwg h THR 10 CO 0.55 0.16 0.05 -0.33 0.37 0.00 0.00 175.52 176.31 1gwg h GLU 11 N 0.86 0.65 -0.41 6.66 3.07 -2.00 -2.15 114.58 121.26 1gwg h GLU 11 Ca 0.24 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.84 1gwg h GLU 11 Cb -0.08 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1gwg h GLU 11 CO -0.05 0.71 -0.06 0.28 -1.40 0.00 0.00 179.01 178.49 1gwg h VAL 12 N 0.49 1.27 -0.43 3.13 2.07 -1.87 -2.18 116.25 118.73 1gwg h VAL 12 Ca 0.12 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1gwg h VAL 12 Cb 0.39 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1gwg h VAL 12 CO 0.01 0.38 0.05 -0.08 0.02 0.00 0.00 177.57 177.95 1gwg h GLU 13 N 0.59 0.17 -0.32 1.57 4.81 -1.21 0.31 114.58 120.50 1gwg h GLU 13 Ca 0.11 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1gwg h GLU 13 Cb 0.57 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1gwg h GLU 13 CO 0.03 0.11 -0.24 0.00 -0.73 0.00 0.00 179.01 178.19 1gwg h ALA 14 N 1.35 0.98 -0.16 2.92 0.00 -1.30 -2.13 119.26 120.92 1gwg h ALA 14 Ca 0.21 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1gwg h ALA 14 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gwg h ALA 14 CO -0.31 0.60 -0.31 0.00 0.00 0.00 0.00 179.25 179.23 1gwg h ALA 15 N 1.18 1.19 -0.39 0.00 0.00 -0.90 -1.73 119.26 118.61 1gwg h ALA 15 Ca 0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1gwg h ALA 15 Cb 0.71 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1gwg h ALA 15 CO 0.05 0.53 0.06 0.28 0.00 0.00 0.00 179.25 180.18 1gwg h VAL 16 N 0.27 1.24 -0.82 0.00 2.07 -0.69 0.70 116.25 119.03 1gwg h VAL 16 Ca 0.04 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1gwg h VAL 16 Cb 0.68 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1gwg h VAL 16 CO 0.05 0.30 0.44 0.78 0.02 0.00 0.00 177.57 179.16 1gwg h ASN 17 N 0.50 1.02 -0.56 0.57 2.35 -1.15 -0.11 115.58 118.20 1gwg h ASN 17 Ca 0.12 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1gwg h ASN 17 Cb 0.37 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1gwg h ASN 17 CO 0.01 0.83 0.05 -0.09 -1.65 0.00 0.00 177.43 176.58 1gwg h ARG 18 N 1.15 0.96 -0.34 0.81 2.43 -1.01 -2.66 114.38 115.71 1gwg h ARG 18 Ca 0.29 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1gwg h ARG 18 Cb 0.04 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1gwg h ARG 18 CO -0.05 0.94 -0.19 1.25 -1.51 0.00 0.00 179.97 180.42 1gwg h LEU 19 N 0.85 0.63 -0.94 3.80 5.85 -0.32 -1.49 115.31 123.68 1gwg h LEU 19 Ca 0.17 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1gwg h LEU 19 Cb 0.47 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1gwg h LEU 19 CO 0.02 0.82 0.55 0.58 -0.34 0.00 0.00 178.44 180.07 1gwg h VAL 20 N 0.56 1.26 -0.32 1.05 2.07 -0.88 -1.17 116.25 118.82 1gwg h VAL 20 Ca 0.09 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 1gwg h VAL 20 Cb 0.63 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1gwg h VAL 20 CO 0.04 0.28 -0.24 -1.13 0.02 0.00 0.00 177.57 176.54 1gwg h ASN 21 N 1.30 0.64 -0.48 0.57 -0.73 -1.08 -1.27 115.58 114.52 1gwg h ASN 21 Ca 0.33 -0.23 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 1gwg h ASN 21 Cb -0.03 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.37 1gwg h ASN 21 CO -0.06 0.87 0.03 -0.07 -0.37 0.00 0.00 177.43 177.82 1gwg h LEU 22 N 0.55 0.81 -0.51 0.34 4.07 -0.85 -1.01 115.31 118.72 1gwg h LEU 22 Ca 0.08 -0.29 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 1gwg h LEU 22 Cb 0.71 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1gwg h LEU 22 CO 0.05 0.91 -0.05 1.88 -1.08 0.00 0.00 178.44 180.15 1gwg h TYR 23 N 0.70 1.03 -0.56 1.13 0.05 -1.03 -0.45 116.97 117.84 1gwg h TYR 23 Ca 0.14 -0.20 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 1gwg h TYR 23 Cb 0.47 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1gwg h TYR 23 CO 0.04 0.97 -0.02 -0.07 -1.05 0.00 0.00 178.16 178.03 1gwg h LEU 24 N 0.80 0.96 -0.77 3.88 3.38 -1.17 -0.12 115.31 122.26 1gwg h LEU 24 Ca 0.14 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1gwg h LEU 24 Cb 0.60 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1gwg h LEU 24 CO 0.04 1.02 0.27 0.03 0.09 0.00 0.00 178.44 179.89 1gwg h ARG 25 N 0.90 1.17 -0.49 1.13 3.08 -1.06 -0.78 114.38 118.34 1gwg h ARG 25 Ca 0.16 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1gwg h ARG 25 Cb 0.54 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1gwg h ARG 25 CO 0.03 0.97 0.07 0.00 -1.07 0.00 0.00 179.97 179.97 1gwg h ALA 26 N 1.14 0.65 -0.69 0.04 0.00 -0.72 -0.96 119.26 118.73 1gwg h ALA 26 Ca 0.25 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1gwg h ALA 26 Cb 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1gwg h ALA 26 CO -0.01 0.39 0.41 1.03 0.00 0.00 0.00 179.25 181.07 1gwg h SER 27 N 0.69 0.65 -0.75 0.00 0.87 -0.56 -0.67 113.55 113.78 1gwg h SER 27 Ca 0.15 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1gwg h SER 27 Cb 0.41 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1gwg h SER 27 CO 0.01 0.43 0.25 0.22 -0.53 0.00 0.00 176.83 177.21 1gwg h TYR 28 N 0.78 1.19 -0.29 2.24 3.20 -0.82 -0.82 116.97 122.45 1gwg h TYR 28 Ca 0.29 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1gwg h TYR 28 Cb 0.11 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1gwg h TYR 28 CO -0.06 0.93 0.19 1.15 -1.64 0.00 0.00 178.16 178.74 1gwg h THR 29 N 1.11 1.07 -0.03 1.81 2.02 -0.54 -1.83 112.91 116.52 1gwg h THR 29 Ca 0.24 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 1gwg h THR 29 Cb 0.29 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1gwg h THR 29 CO -0.01 0.07 -0.28 1.88 0.37 0.00 0.00 175.52 177.55 1gwg h TYR 30 N 0.39 0.05 -0.34 3.16 0.05 -0.72 -0.97 116.97 118.60 1gwg h TYR 30 Ca 0.11 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 1gwg h TYR 30 Cb -0.04 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1gwg h TYR 30 CO -0.06 0.32 0.02 1.25 -1.05 0.00 0.00 178.16 178.65 1gwg h LEU 31 N 0.04 0.57 -0.42 3.88 5.85 -0.68 -0.35 115.31 124.19 1gwg h LEU 31 Ca 0.00 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1gwg h LEU 31 Cb 0.52 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1gwg h LEU 31 CO 0.04 0.72 0.20 -1.28 -0.34 0.00 0.00 178.44 177.78 1gwg h SER 32 N 0.40 0.55 -0.37 1.25 0.87 -0.94 -1.44 113.55 113.88 1gwg h SER 32 Ca 0.10 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1gwg h SER 32 Cb 0.41 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1gwg h SER 32 CO 0.01 0.53 0.23 -0.07 -0.53 0.00 0.00 176.83 177.00 1gwg h LEU 33 N 0.54 0.44 -0.05 2.23 3.38 -1.10 -1.77 115.31 118.99 1gwg h LEU 33 Ca 0.15 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1gwg h LEU 33 Cb 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1gwg h LEU 33 CO -0.02 0.35 -0.11 1.23 0.09 0.00 0.00 178.44 179.99 1gwg h GLY 34 N 0.49 -0.08 2.00 0.83 0.00 -0.86 -2.58 103.07 102.87 1gwg h GLY 34 Ca 0.13 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 1gwg h GLY 34 CO -0.03 -0.11 -0.20 0.74 0.00 0.00 0.00 176.54 176.94 1gwg h PHE 35 N -0.16 0.00 -0.45 5.60 0.04 -1.21 -2.79 116.94 117.98 1gwg h PHE 35 Ca 0.06 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1gwg h PHE 35 Cb 0.23 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1gwg h PHE 35 CO -0.19 0.20 0.02 -0.92 -0.60 0.00 0.00 178.31 176.83 1gwg h TYR 36 N 0.00 0.84 0.00 -0.55 3.20 -0.94 -2.66 116.97 116.86 1gwg h TYR 36 Ca -0.00 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1gwg h TYR 36 Cb 0.59 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1gwg h TYR 36 CO 0.00 0.81 0.00 1.19 -1.64 0.00 0.00 178.16 178.52 1gwg n PHE 37 N -4.41 0.00 1.17 -3.82 3.72 -1.04 -1.66 117.46 111.42 1gwg n PHE 37 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1gwg n PHE 37 Cb 0.28 -0.42 0.25 0.00 -0.94 0.00 0.00 39.48 38.65 1gwg n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1gwg n ASP 38 N -1.42 1.37 -4.76 4.37 2.03 -1.01 -1.62 116.55 115.50 1gwg n ASP 38 Ca 0.07 -1.11 -0.38 0.00 0.52 0.00 0.00 54.79 53.88 1gwg n ASP 38 Cb 0.23 0.25 0.03 0.00 -0.72 0.00 0.00 41.12 40.90 1gwg n ASP 38 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1gwg s ARG 39 N -2.48 3.38 0.55 -0.67 0.52 -0.66 -4.72 118.95 114.86 1gwg s ARG 39 Ca 0.23 2.15 0.30 0.00 -0.52 0.00 0.00 55.73 57.89 1gwg s ARG 39 Cb 0.19 -2.36 1.60 0.00 0.52 0.00 0.00 34.95 34.89 1gwg s ARG 39 CO 0.53 -0.98 2.12 0.38 0.02 0.00 0.00 175.30 177.38 1gwg h ASP 40 N 1.75 0.00 -0.43 0.23 2.03 -1.91 0.18 116.42 118.26 1gwg h ASP 40 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1gwg h ASP 40 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1gwg h ASP 40 CO 0.59 0.08 0.00 -0.90 -1.03 0.00 0.00 179.24 177.98 1gwg n ASP 41 N -3.54 2.53 0.04 4.15 5.75 -1.26 -4.30 116.55 119.92 1gwg n ASP 41 Ca -0.02 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1gwg n ASP 41 Cb 0.21 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1gwg n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1gwg n VAL 42 N 0.88 0.87 -3.74 2.12 0.31 -0.38 -5.09 118.33 113.30 1gwg n VAL 42 Ca 0.16 0.29 -0.33 0.00 -0.01 0.00 0.00 64.34 64.45 1gwg n VAL 42 Cb 0.41 -1.53 0.04 0.00 -0.91 0.00 0.00 33.84 31.85 1gwg n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gwg n ALA 43 N -3.36 -2.58 -3.80 3.52 0.00 0.48 -4.97 120.51 109.81 1gwg n ALA 43 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.86 1gwg n ALA 43 Cb 0.13 -3.62 -0.12 0.00 0.00 0.00 0.00 19.45 15.84 1gwg n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gwg s LEU 44 N -6.50 3.86 0.24 0.00 1.43 -0.64 -4.98 118.68 112.10 1gwg s LEU 44 Ca 0.44 -3.40 -0.05 0.00 -1.03 0.00 0.00 54.13 50.09 1gwg s LEU 44 Cb -0.18 -1.35 0.38 0.00 0.03 0.00 0.00 46.19 45.07 1gwg s LEU 44 CO 0.88 -0.15 1.81 -0.08 0.23 0.00 0.00 176.35 179.04 1gwg h GLU 45 N 5.82 0.75 -0.44 1.70 4.81 -1.94 -0.48 114.58 124.80 1gwg h GLU 45 Ca 0.10 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1gwg h GLU 45 Cb 0.83 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1gwg h GLU 45 CO 0.62 0.49 0.17 0.78 -0.73 0.00 0.00 179.01 180.35 1gwg h GLY 46 N 0.77 0.68 0.99 1.92 0.00 -1.90 -0.38 103.07 105.14 1gwg h GLY 46 Ca 0.39 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 47.21 1gwg h GLY 46 CO -0.24 0.31 -0.64 -2.08 0.00 0.00 0.00 176.54 173.88 1gwg h VAL 47 N 0.63 1.34 -0.55 4.60 2.07 -1.48 -2.46 116.25 120.40 1gwg h VAL 47 Ca 0.15 -1.93 0.08 0.00 0.82 0.00 0.00 66.70 65.82 1gwg h VAL 47 Cb 0.13 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 1gwg h VAL 47 CO -0.01 0.59 0.21 0.00 0.02 0.00 0.00 177.57 178.38 1gwg h HIS 49 N 0.41 1.02 -0.31 0.00 3.86 -1.03 -1.16 115.15 117.94 1gwg h HIS 49 Ca 0.27 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1gwg h HIS 49 Cb 0.29 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1gwg h HIS 49 CO -0.15 0.75 0.18 0.35 0.86 0.00 0.00 177.93 179.91 1gwg h PHE 50 N 0.99 0.34 -0.03 2.45 3.57 -1.03 -0.18 116.94 123.05 1gwg h PHE 50 Ca 0.25 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 1gwg h PHE 50 Cb 0.10 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1gwg h PHE 50 CO 0.01 0.20 -0.72 0.74 -2.23 0.00 0.00 178.31 176.30 1gwg h PHE 51 N 0.37 0.24 -0.22 0.41 0.04 -1.15 -2.54 116.94 114.10 1gwg h PHE 51 Ca 0.12 -0.11 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 1gwg h PHE 51 Cb -0.00 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1gwg h PHE 51 CO -0.08 0.84 -0.42 0.00 -0.60 0.00 0.00 178.31 178.05 1gwg h ARG 52 N 0.12 0.51 -0.65 1.51 3.08 -0.99 -0.47 114.38 117.49 1gwg h ARG 52 Ca -0.02 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 1gwg h ARG 52 Cb 1.28 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 1gwg h ARG 52 CO 0.11 0.84 0.14 0.93 -1.07 0.00 0.00 179.97 180.92 1gwg h GLU 53 N 0.42 1.04 -0.23 0.04 4.39 -0.95 -2.77 114.58 116.52 1gwg h GLU 53 Ca 0.03 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.38 1gwg h GLU 53 Cb 0.91 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1gwg h GLU 53 CO 0.08 0.93 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.46 1gwg h LEU 54 N 0.99 0.50 -0.68 1.33 3.38 -1.01 -1.87 115.31 117.95 1gwg h LEU 54 Ca 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1gwg h LEU 54 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1gwg h LEU 54 CO 0.00 0.80 0.41 0.00 0.09 0.00 0.00 178.44 179.74 1gwg h ALA 55 N 1.24 0.87 -0.62 1.53 0.00 -0.83 -1.05 119.26 120.41 1gwg h ALA 55 Ca 0.05 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1gwg h ALA 55 Cb 0.77 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1gwg h ALA 55 CO 0.06 0.34 0.02 1.49 0.00 0.00 0.00 179.25 181.17 1gwg h GLU 56 N 0.93 1.08 -0.76 0.00 4.81 -1.30 -1.85 114.58 117.49 1gwg h GLU 56 Ca 0.25 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1gwg h GLU 56 Cb -0.03 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 1gwg h GLU 56 CO -0.05 1.04 0.36 0.93 -0.73 0.00 0.00 179.01 180.56 1gwg h GLU 57 N 0.98 1.09 -0.07 1.92 5.08 -0.68 -0.37 114.58 122.52 1gwg h GLU 57 Ca 0.18 -0.16 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1gwg h GLU 57 Cb 0.53 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1gwg h GLU 57 CO 0.03 0.84 -0.65 0.87 -1.00 0.00 0.00 179.01 179.10 1gwg h LYS 58 N 1.08 0.29 -0.39 2.33 1.79 -1.06 -0.74 116.57 119.87 1gwg h LYS 58 Ca 0.26 -0.22 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 1gwg h LYS 58 Cb 0.12 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1gwg h LYS 58 CO -0.03 0.84 -0.22 -0.09 -1.08 0.00 0.00 179.45 178.88 1gwg h ARG 59 N 0.21 0.78 -0.21 3.15 2.43 -0.86 -1.58 114.38 118.30 1gwg h ARG 59 Ca -0.01 -0.31 -0.10 0.00 -0.81 0.00 0.00 59.98 58.74 1gwg h ARG 59 Cb 1.19 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1gwg h ARG 59 CO 0.10 0.93 -0.30 0.93 -1.51 0.00 0.00 179.97 180.12 1gwg h GLU 60 N 0.68 0.42 -0.09 0.20 5.08 -0.82 -1.55 114.58 118.50 1gwg h GLU 60 Ca 0.10 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1gwg h GLU 60 Cb 0.73 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1gwg h GLU 60 CO 0.06 0.68 0.04 0.78 -1.00 0.00 0.00 179.01 179.57 1gwg h GLY 61 N 1.06 0.15 0.94 -3.84 0.00 -0.63 -1.47 103.07 99.27 1gwg h GLY 61 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1gwg h GLY 61 CO 0.05 0.08 0.56 0.00 0.00 0.00 0.00 176.54 177.23 1gwg h ALA 62 N 0.88 1.10 -0.75 3.60 0.00 -1.07 -2.14 119.26 120.88 1gwg h ALA 62 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1gwg h ALA 62 Cb 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1gwg h ALA 62 CO -0.00 0.43 0.26 0.93 0.00 0.00 0.00 179.25 180.87 1gwg h GLU 63 N 1.11 1.16 -0.88 0.00 5.08 -1.16 -0.63 114.58 119.25 1gwg h GLU 63 Ca 0.33 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1gwg h GLU 63 Cb -0.06 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 28.98 1gwg h GLU 63 CO -0.09 0.97 0.47 0.00 -1.00 0.00 0.00 179.01 179.36 1gwg h ARG 64 N 1.11 1.24 -0.61 2.33 3.08 -0.79 -0.92 114.38 119.81 1gwg h ARG 64 Ca 0.25 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1gwg h ARG 64 Cb 0.28 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1gwg h ARG 64 CO -0.01 0.91 0.10 -0.07 -1.07 0.00 0.00 179.97 179.83 1gwg h LEU 65 N 1.24 0.94 -0.44 3.04 3.38 -1.08 -1.32 115.31 121.06 1gwg h LEU 65 Ca 0.31 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1gwg h LEU 65 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1gwg h LEU 65 CO -0.05 0.94 0.01 -0.07 0.09 0.00 0.00 178.44 179.36 1gwg h LEU 66 N 0.93 0.76 -0.73 1.67 3.38 -0.64 -0.19 115.31 120.50 1gwg h LEU 66 Ca 0.19 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1gwg h LEU 66 Cb 0.40 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1gwg h LEU 66 CO 0.01 0.88 0.33 0.50 0.09 0.00 0.00 178.44 180.25 1gwg h LYS 67 N 0.62 1.06 -0.63 1.13 3.64 -0.96 -2.28 116.57 119.16 1gwg h LYS 67 Ca 0.13 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1gwg h LYS 67 Cb 0.48 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1gwg h LYS 67 CO 0.02 0.84 0.20 1.98 -2.27 0.00 0.00 179.45 180.22 1gwg h MET 68 N 1.02 0.98 -0.39 1.90 4.05 -0.89 -0.37 114.93 121.24 1gwg h MET 68 Ca 0.25 -0.21 0.08 0.00 -0.28 0.00 0.00 59.70 59.53 1gwg h MET 68 Cb 0.15 -0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 30.74 1gwg h MET 68 CO -0.03 0.86 -0.06 0.37 0.23 0.00 0.00 176.91 178.29 1gwg h GLN 69 N 0.90 0.04 -0.46 0.39 5.75 -0.65 -1.20 115.11 119.88 1gwg h GLN 69 Ca 0.20 -0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.59 1gwg h GLN 69 Cb 0.29 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1gwg h GLN 69 CO -0.01 0.03 -0.14 -0.91 -2.65 0.00 0.00 178.83 175.15 1gwg h ASN 70 N 0.04 0.87 -0.12 -0.69 -0.26 -1.14 0.13 115.58 114.40 1gwg h ASN 70 Ca 0.19 -0.28 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1gwg h ASN 70 Cb 0.28 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1gwg h ASN 70 CO -0.37 1.01 0.07 1.56 -1.06 0.00 0.00 177.43 178.65 1gwg h GLN 71 N 0.77 0.19 -0.00 0.81 4.20 -0.19 -1.31 115.11 119.57 1gwg h GLN 71 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1gwg h GLN 71 Cb 0.66 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1gwg h GLN 71 CO 0.05 0.14 -0.55 0.54 -0.67 0.00 0.00 178.83 178.34 1gwg n ARG 72 N -4.50 0.03 -0.50 1.46 5.12 -0.54 -4.93 116.66 112.81 1gwg n ARG 72 Ca -0.01 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1gwg n ARG 72 Cb 0.09 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 1gwg n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gwg n GLY 73 N 1.50 0.71 3.93 -0.13 0.00 -0.49 -4.06 105.19 106.65 1gwg n GLY 73 Ca 0.06 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1gwg n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gwg s GLY 74 N -2.32 1.68 -0.25 -0.02 0.00 0.39 -4.80 107.32 101.99 1gwg s GLY 74 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.77 1gwg s GLY 74 CO 0.00 -0.58 -0.04 0.50 0.00 0.00 0.00 173.10 172.99 1gwg s ARG 75 N -5.08 2.95 0.23 2.90 1.81 -1.26 -4.27 118.95 116.22 1gwg s ARG 75 Ca 0.58 -0.91 -0.31 0.00 -1.72 0.00 0.00 55.73 53.36 1gwg s ARG 75 Cb -0.11 -3.04 -0.12 0.00 -0.45 0.00 0.00 34.95 31.23 1gwg s ARG 75 CO 0.44 -0.38 1.67 0.00 -0.68 0.00 0.00 175.30 176.35 1gwg s ALA 76 N 1.37 3.87 -0.10 2.13 0.00 -1.26 -4.98 121.76 122.80 1gwg s ALA 76 Ca 0.01 1.57 -0.00 0.00 0.00 0.00 0.00 51.96 53.54 1gwg s ALA 76 Cb -0.16 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.30 1gwg s ALA 76 CO -0.03 -0.93 -0.07 -0.51 0.00 0.00 0.00 175.76 174.22 1gwg s LEU 77 N 0.67 1.14 -0.01 0.00 1.43 -1.26 -5.14 118.68 115.50 1gwg s LEU 77 Ca 0.71 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.52 1gwg s LEU 77 Cb -0.49 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1gwg s LEU 77 CO 0.37 -0.11 0.19 -0.36 0.23 0.00 0.00 176.35 176.66 1gwg s PHE 78 N 1.61 3.55 0.37 0.29 0.08 -1.26 -4.88 117.98 117.74 1gwg s PHE 78 Ca 0.02 0.38 0.06 0.00 0.12 0.00 0.00 56.93 57.51 1gwg s PHE 78 Cb -0.13 -1.85 -0.07 0.00 -0.57 0.00 0.00 43.02 40.40 1gwg s PHE 78 CO -0.06 0.65 0.01 -0.65 -0.10 0.00 0.00 175.22 175.07 1gwg s GLN 79 N -1.89 1.82 0.58 0.44 -1.52 -1.26 -5.11 119.66 112.72 1gwg s GLN 79 Ca 0.27 -2.01 -0.20 0.00 -1.95 0.00 0.00 55.36 51.47 1gwg s GLN 79 Cb -0.13 -1.36 -0.05 0.00 -0.22 0.00 0.00 33.01 31.26 1gwg s GLN 79 CO 0.18 -0.08 1.13 -0.25 -0.25 0.00 0.00 175.29 176.02 1gwg n ASP 80 N -0.84 1.55 -4.39 5.90 8.00 -1.26 -4.95 116.55 120.56 1gwg n ASP 80 Ca -0.04 0.87 -0.38 0.00 0.71 0.00 0.00 54.79 55.95 1gwg n ASP 80 Cb 0.66 -1.47 -0.12 0.00 -0.02 0.00 0.00 41.12 40.18 1gwg n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gwg s LEU 81 N -2.70 4.03 0.48 0.64 1.43 -1.26 -5.07 118.68 116.23 1gwg s LEU 81 Ca 0.75 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.98 1gwg s LEU 81 Cb -0.42 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 43.78 1gwg s LEU 81 CO 0.47 -0.21 1.16 0.00 0.23 0.00 0.00 176.35 178.01 1gwg s GLN 82 N 1.55 3.66 0.78 1.70 -2.07 -1.26 -4.99 119.66 119.03 1gwg s GLN 82 Ca 0.03 1.76 -0.13 0.00 -1.82 0.00 0.00 55.36 55.20 1gwg s GLN 82 Cb -0.17 -2.32 0.07 0.00 -1.09 0.00 0.00 33.01 29.49 1gwg s GLN 82 CO 0.04 -0.63 1.15 -1.59 -1.32 0.00 0.00 175.29 172.94 1gwg s LYS 83 N -2.82 1.98 0.88 9.60 -2.85 -1.26 -4.90 119.74 120.37 1gwg s LYS 83 Ca 0.66 1.50 -0.11 0.00 -1.00 0.00 0.00 55.97 57.02 1gwg s LYS 83 Cb -0.28 -1.84 0.13 0.00 -2.06 0.00 0.00 37.83 33.78 1gwg s LYS 83 CO 0.34 -1.91 1.16 -2.14 0.10 0.00 0.00 175.35 172.90 1gwg s PRO 84 N -4.37 1.23 0.51 1.78 0.02 -1.26 -4.92 135.00 127.98 1gwg s PRO 84 Ca 0.68 1.60 0.23 0.00 0.02 0.00 0.00 61.00 63.52 1gwg s PRO 84 Cb -0.23 -1.75 1.35 0.00 0.02 0.00 0.00 34.50 33.90 1gwg s PRO 84 CO 0.50 -2.49 2.08 0.66 -0.33 0.00 0.00 177.00 177.43 1gwg h SER 85 N -1.58 0.00 -4.43 2.53 4.64 -1.97 -3.44 113.55 109.30 1gwg h SER 85 Ca -0.44 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.62 1gwg h SER 85 Cb 1.27 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 1gwg h SER 85 CO 0.43 0.12 -0.71 -1.10 -0.87 0.00 0.00 176.83 174.70 1gwg s GLN 86 N -4.46 0.87 -0.18 4.77 -0.21 -1.26 -5.03 119.66 114.17 1gwg s GLN 86 Ca -0.04 -1.31 0.18 0.00 0.02 0.00 0.00 55.36 54.22 1gwg s GLN 86 Cb 0.15 -0.35 -0.25 0.00 1.00 0.00 0.00 33.01 33.55 1gwg s GLN 86 CO 0.62 0.02 0.14 -0.25 -2.12 0.00 0.00 175.29 173.70 1gwg n ASP 87 N 0.08 0.05 -4.11 5.90 8.00 -1.26 -4.92 116.55 120.29 1gwg n ASP 87 Ca -0.13 0.02 -0.25 0.00 0.71 0.00 0.00 54.79 55.15 1gwg n ASP 87 Cb 0.60 1.02 -0.16 0.00 -0.02 0.00 0.00 41.12 42.56 1gwg n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1gwg s GLU 88 N -2.58 1.53 0.00 -1.24 2.02 -1.26 -4.99 118.70 112.17 1gwg s GLU 88 Ca -0.10 -0.55 0.17 0.00 0.02 0.00 0.00 54.97 54.52 1gwg s GLU 88 Cb 0.07 -1.37 0.48 0.00 0.10 0.00 0.00 34.13 33.41 1gwg s GLU 88 CO 0.84 0.24 1.40 0.91 0.02 0.00 0.00 175.26 178.66 1gwg n TRP 89 N 3.07 0.72 -3.33 1.61 7.02 -1.26 -5.08 117.44 120.19 1gwg n TRP 89 Ca -0.17 -0.50 0.00 0.00 -1.02 0.00 0.00 57.50 55.81 1gwg n TRP 89 Cb 0.53 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1gwg n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gwg n GLY 90 N 1.08 2.31 3.94 6.99 0.00 -1.26 -3.50 105.19 114.76 1gwg n GLY 90 Ca 0.18 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 1gwg n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gwg s THR 91 N 0.00 2.20 0.26 2.61 -4.23 -1.26 -4.87 115.64 110.34 1gwg s THR 91 Ca 0.00 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.18 1gwg s THR 91 Cb 0.00 -2.91 0.26 0.00 1.34 0.00 0.00 72.50 71.19 1gwg s THR 91 CO 0.00 0.00 1.91 0.74 -0.54 0.00 0.00 174.62 176.73 1gwg h THR 92 N -0.79 1.20 -0.22 3.99 2.02 -1.98 -0.17 112.91 116.95 1gwg h THR 92 Ca -0.43 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 1gwg h THR 92 Cb 1.29 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1gwg h THR 92 CO 0.52 0.24 0.13 0.25 0.37 0.00 0.00 175.52 177.02 1gwg h LEU 93 N 1.30 0.27 -0.67 2.58 5.85 -1.94 -0.15 115.31 122.55 1gwg h LEU 93 Ca 0.39 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.08 1gwg h LEU 93 Cb -0.04 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1gwg h LEU 93 CO -0.11 0.25 0.43 0.44 -0.34 0.00 0.00 178.44 179.10 1gwg h ASP 94 N 0.27 0.71 -0.44 1.25 3.32 -1.63 -0.79 116.42 119.11 1gwg h ASP 94 Ca 0.08 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1gwg h ASP 94 Cb 0.03 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1gwg h ASP 94 CO -0.01 0.50 -0.13 0.00 -1.72 0.00 0.00 179.24 177.88 1gwg h ALA 95 N 1.28 0.86 -0.03 3.45 0.00 -0.71 -1.60 119.26 122.50 1gwg h ALA 95 Ca 0.26 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1gwg h ALA 95 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1gwg h ALA 95 CO -0.09 0.65 -0.62 1.98 0.00 0.00 0.00 179.25 181.17 1gwg h MET 96 N 0.81 0.11 -0.29 0.00 1.85 -0.69 -0.75 114.93 115.96 1gwg h MET 96 Ca 0.13 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 59.11 1gwg h MET 96 Cb 0.66 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1gwg h MET 96 CO 0.05 0.69 0.05 0.87 -0.40 0.00 0.00 176.91 178.16 1gwg h LYS 97 N 0.08 0.49 -0.46 0.39 1.57 -0.98 -1.84 116.57 115.81 1gwg h LYS 97 Ca -0.01 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1gwg h LYS 97 Cb 1.11 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1gwg h LYS 97 CO 0.09 0.59 0.15 0.00 -0.57 0.00 0.00 179.45 179.71 1gwg h ALA 98 N 0.87 1.41 -0.54 3.86 0.00 -1.08 -1.61 119.26 122.18 1gwg h ALA 98 Ca 0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1gwg h ALA 98 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1gwg h ALA 98 CO 0.01 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 1gwg h ALA 99 N 1.52 0.72 -0.25 0.00 0.00 -0.90 -1.03 119.26 119.32 1gwg h ALA 99 Ca 0.16 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1gwg h ALA 99 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1gwg h ALA 99 CO -0.01 0.57 -0.40 0.97 0.00 0.00 0.00 179.25 180.38 1gwg h ILE 100 N 0.84 1.30 -0.61 0.00 2.10 -0.97 0.30 117.51 120.47 1gwg h ILE 100 Ca 0.15 -1.56 -0.01 0.00 1.08 0.00 0.00 64.86 64.51 1gwg h ILE 100 Cb 0.57 1.54 -0.03 0.00 -1.09 0.00 0.00 36.82 37.81 1gwg h ILE 100 CO 0.03 0.50 0.32 0.58 -1.08 0.00 0.00 178.15 178.50 1gwg h VAL 101 N 0.48 1.20 0.17 2.19 2.07 -1.16 -0.89 116.25 120.31 1gwg h VAL 101 Ca 0.04 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1gwg h VAL 101 Cb 0.90 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1gwg h VAL 101 CO 0.08 0.22 -0.08 0.25 0.02 0.00 0.00 177.57 178.06 1gwg h LEU 102 N 0.82 -0.19 -1.10 2.57 5.85 -0.69 -2.38 115.31 120.19 1gwg h LEU 102 Ca 0.21 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1gwg h LEU 102 Cb 0.06 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1gwg h LEU 102 CO -0.03 -0.06 0.48 -0.33 -0.34 0.00 0.00 178.44 178.16 1gwg h GLU 103 N -0.31 1.09 -0.72 1.25 4.39 -0.78 -1.90 114.58 117.61 1gwg h GLU 103 Ca -0.02 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1gwg h GLU 103 Cb 0.24 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1gwg h GLU 103 CO 0.04 0.77 0.33 0.87 -1.16 0.00 0.00 179.01 179.86 1gwg h LYS 104 N 1.11 1.03 -0.64 2.33 1.57 -1.05 0.78 116.57 121.70 1gwg h LYS 104 Ca 0.29 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1gwg h LYS 104 Cb -0.04 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1gwg h LYS 104 CO -0.05 0.81 0.29 0.66 -0.57 0.00 0.00 179.45 180.59 1gwg h SER 105 N 1.02 0.85 -0.46 0.86 4.64 -0.85 0.50 113.55 120.11 1gwg h SER 105 Ca 0.25 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1gwg h SER 105 Cb 0.13 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1gwg h SER 105 CO -0.03 0.75 0.09 -0.07 -0.87 0.00 0.00 176.83 176.71 1gwg h LEU 106 N 0.88 0.71 -0.43 5.97 3.38 -0.87 -1.68 115.31 123.27 1gwg h LEU 106 Ca 0.22 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1gwg h LEU 106 Cb 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1gwg h LEU 106 CO -0.02 0.77 0.25 -1.13 0.09 0.00 0.00 178.44 178.40 1gwg h ASN 107 N 0.61 0.41 -0.52 -0.43 -0.00 -0.61 0.78 115.58 115.82 1gwg h ASN 107 Ca 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.40 1gwg h ASN 107 Cb 0.35 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.56 1gwg h ASN 107 CO 0.01 0.30 0.19 -0.61 -0.00 0.00 0.00 177.43 177.31 1gwg h GLN 108 N 0.51 0.85 -0.38 6.67 5.75 -0.80 0.88 115.11 128.58 1gwg h GLN 108 Ca 0.17 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1gwg h GLN 108 Cb 0.01 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1gwg h GLN 108 CO -0.08 0.72 -0.22 0.00 -2.65 0.00 0.00 178.83 176.60 1gwg h ALA 109 N 1.38 0.88 -0.63 3.38 0.00 -0.50 -0.32 119.26 123.44 1gwg h ALA 109 Ca 0.19 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1gwg h ALA 109 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1gwg h ALA 109 CO -0.01 0.63 0.08 -0.07 0.00 0.00 0.00 179.25 179.87 1gwg h LEU 110 N 0.67 1.02 -0.57 0.00 3.38 0.10 -1.39 115.31 118.51 1gwg h LEU 110 Ca 0.09 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1gwg h LEU 110 Cb 0.73 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1gwg h LEU 110 CO 0.06 1.02 0.00 -0.07 0.09 0.00 0.00 178.44 179.55 1gwg h LEU 111 N 0.99 0.99 -0.51 1.67 3.38 -0.40 -0.93 115.31 120.50 1gwg h LEU 111 Ca 0.19 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1gwg h LEU 111 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1gwg h LEU 111 CO 0.02 1.05 0.05 0.44 0.09 0.00 0.00 178.44 180.09 1gwg h ASP 112 N 0.90 0.84 -0.55 -0.43 3.32 -0.98 -0.21 116.42 119.32 1gwg h ASP 112 Ca 0.16 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1gwg h ASP 112 Cb 0.54 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1gwg h ASP 112 CO 0.03 0.91 0.13 0.25 -1.72 0.00 0.00 179.24 178.84 1gwg h LEU 113 N 0.74 0.87 -0.76 1.55 5.85 -1.03 -0.90 115.31 121.62 1gwg h LEU 113 Ca 0.15 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1gwg h LEU 113 Cb 0.45 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1gwg h LEU 113 CO 0.02 0.85 -0.06 -0.74 -0.34 0.00 0.00 178.44 178.17 1gwg h HIS 114 N 0.88 0.96 -0.37 1.25 2.76 -0.92 -0.84 115.15 118.88 1gwg h HIS 114 Ca 0.19 -0.17 -0.10 0.00 -2.20 0.00 0.00 60.37 58.09 1gwg h HIS 114 Cb 0.34 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1gwg h HIS 114 CO 0.02 0.90 -0.17 0.00 -1.30 0.00 0.00 177.93 177.39 1gwg h ALA 115 N 1.12 1.02 -0.30 5.26 0.00 -0.68 -0.93 119.26 124.74 1gwg h ALA 115 Ca 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1gwg h ALA 115 Cb 0.57 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1gwg h ALA 115 CO 0.03 0.59 0.02 1.25 0.00 0.00 0.00 179.25 181.14 1gwg h LEU 116 N 0.61 0.51 -0.60 0.00 5.85 -0.91 -0.01 115.31 120.75 1gwg h LEU 116 Ca 0.10 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1gwg h LEU 116 Cb 0.63 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1gwg h LEU 116 CO 0.04 0.67 0.36 1.23 -0.34 0.00 0.00 178.44 180.41 1gwg h GLY 117 N 0.33 0.85 0.90 3.75 0.00 -0.87 0.63 103.07 108.65 1gwg h GLY 117 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1gwg h GLY 117 CO 0.01 0.23 0.03 1.76 0.00 0.00 0.00 176.54 178.57 1gwg h SER 118 N 0.71 0.54 -0.76 0.19 0.02 -0.99 0.60 113.55 113.86 1gwg h SER 118 Ca 0.24 -0.28 0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1gwg h SER 118 Cb 0.03 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 1gwg h SER 118 CO -0.11 0.68 0.50 0.00 -1.14 0.00 0.00 176.83 176.76 1gwg h ALA 119 N 0.87 1.70 -0.25 3.77 0.00 -0.39 -1.76 119.26 123.20 1gwg h ALA 119 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gwg h ALA 119 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gwg h ALA 119 CO 0.01 0.17 0.00 0.94 0.00 0.00 0.00 179.25 180.37 1gwg n GLN 120 N -4.49 1.76 -3.70 0.00 -0.06 0.16 -4.94 117.38 106.11 1gwg n GLN 120 Ca 0.12 -1.16 -0.25 0.00 -2.00 0.00 0.00 57.00 53.71 1gwg n GLN 120 Cb 0.25 -1.34 0.03 0.00 -4.06 0.00 0.00 30.24 25.12 1gwg n GLN 120 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1gwg n ALA 121 N 0.40 -2.26 -3.79 1.69 0.00 -0.66 -4.95 120.51 110.94 1gwg n ALA 121 Ca 0.14 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1gwg n ALA 121 Cb 0.31 -3.03 -0.10 0.00 0.00 0.00 0.00 19.45 16.63 1gwg n ALA 121 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gwg n ASP 122 N -2.92 3.51 0.12 0.00 -0.08 0.12 -4.93 116.55 112.37 1gwg n ASP 122 Ca -0.20 -3.20 0.03 0.00 -1.51 0.00 0.00 54.79 49.91 1gwg n ASP 122 Cb 0.64 -0.86 0.43 0.00 2.34 0.00 0.00 41.12 43.67 1gwg n ASP 122 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1gwg h PRO 123 N 5.54 0.25 -0.43 -0.67 0.13 -1.93 -2.68 132.00 132.21 1gwg h PRO 123 Ca 0.16 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1gwg h PRO 123 Cb 0.77 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 1gwg h PRO 123 CO 0.78 0.33 0.23 1.25 -0.23 0.00 0.00 178.00 180.35 1gwg h HIS 124 N 0.24 0.61 -0.56 1.56 -0.00 -1.96 -0.42 115.15 114.62 1gwg h HIS 124 Ca 0.05 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1gwg h HIS 124 Cb 0.26 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 1gwg h HIS 124 CO 0.00 0.47 0.34 1.25 -0.00 0.00 0.00 177.93 179.99 1gwg h LEU 125 N 0.56 0.67 -0.40 0.26 5.85 -1.90 -0.28 115.31 120.08 1gwg h LEU 125 Ca 0.15 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1gwg h LEU 125 Cb 0.08 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1gwg h LEU 125 CO -0.02 0.53 0.22 0.00 -0.34 0.00 0.00 178.44 178.82 1gwg h ASP 127 N 0.44 0.48 -0.92 0.00 -0.00 -0.75 -1.83 116.42 113.84 1gwg h ASP 127 Ca 0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.11 1gwg h ASP 127 Cb 0.04 -0.12 -0.05 0.00 -0.00 0.00 0.00 39.33 39.20 1gwg h ASP 127 CO -0.10 0.44 0.59 0.15 -0.00 0.00 0.00 179.24 180.32 1gwg h PHE 128 N 0.50 1.18 -0.33 0.28 3.57 -0.69 -0.71 116.94 120.73 1gwg h PHE 128 Ca 0.14 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1gwg h PHE 128 Cb 0.06 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 1gwg h PHE 128 CO -0.02 0.76 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.67 1gwg h LEU 129 N 1.26 0.63 -0.89 0.59 4.07 -1.12 -2.65 115.31 117.19 1gwg h LEU 129 Ca 0.33 -0.36 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1gwg h LEU 129 Cb -0.11 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.42 1gwg h LEU 129 CO -0.07 0.85 0.32 -0.33 -1.08 0.00 0.00 178.44 178.13 1gwg h GLU 130 N 0.41 1.12 -0.22 1.13 5.08 -1.00 -1.53 114.58 119.57 1gwg h GLU 130 Ca 0.08 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1gwg h GLU 130 Cb 0.57 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1gwg h GLU 130 CO 0.03 0.90 -0.02 0.77 -1.00 0.00 0.00 179.01 179.70 1gwg h SER 131 N 1.10 0.40 -0.01 1.42 0.02 -1.04 -3.38 113.55 112.06 1gwg h SER 131 Ca 0.26 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1gwg h SER 131 Cb 0.18 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1gwg h SER 131 CO -0.02 0.63 0.00 1.41 -1.14 0.00 0.00 176.83 177.71 1gwg n HIS 132 N -4.64 0.00 0.03 3.45 8.25 -1.01 -4.93 115.22 116.38 1gwg n HIS 132 Ca -0.04 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1gwg n HIS 132 Cb 0.25 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1gwg n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1gwg n PHE 133 N 0.15 -0.33 -0.09 4.41 3.72 -0.66 -4.75 117.46 119.91 1gwg n PHE 133 Ca 0.02 0.06 -0.07 0.00 -0.05 0.00 0.00 57.45 57.41 1gwg n PHE 133 Cb 0.08 0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 1gwg n PHE 133 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1gwg h LEU 134 N 0.00 0.05 -0.14 4.37 4.07 -1.52 -0.60 115.31 121.55 1gwg h LEU 134 Ca 0.00 0.05 -0.24 0.00 0.08 0.00 0.00 57.88 57.77 1gwg h LEU 134 Cb 0.42 0.05 0.01 0.00 1.08 0.00 0.00 40.66 42.22 1gwg h LEU 134 CO 0.00 0.06 -0.95 -0.78 -1.08 0.00 0.00 178.44 175.69 1gwg h ASP 135 N 0.20 0.67 -0.88 -0.43 3.58 -1.84 -2.15 116.42 115.57 1gwg h ASP 135 Ca 0.15 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 1gwg h ASP 135 Cb 0.15 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.95 1gwg h ASP 135 CO -0.18 1.32 0.52 -0.08 -2.88 0.00 0.00 179.24 177.94 1gwg h GLU 136 N 0.30 1.20 -0.25 0.28 4.81 -1.82 0.28 114.58 119.38 1gwg h GLU 136 Ca -0.09 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1gwg h GLU 136 Cb 1.59 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1gwg h GLU 136 CO 0.17 0.85 -0.01 1.49 -0.73 0.00 0.00 179.01 180.78 1gwg h GLU 137 N 1.21 0.45 -0.45 1.92 4.57 -1.10 -0.09 114.58 121.09 1gwg h GLU 137 Ca 0.31 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1gwg h GLU 137 Cb -0.03 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1gwg h GLU 137 CO -0.06 0.63 0.28 0.28 -1.18 0.00 0.00 179.01 178.96 1gwg h VAL 138 N 0.22 1.14 -0.58 0.32 2.07 -0.95 -0.30 116.25 118.17 1gwg h VAL 138 Ca 0.07 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1gwg h VAL 138 Cb 0.43 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1gwg h VAL 138 CO 0.01 0.14 0.10 0.11 0.02 0.00 0.00 177.57 177.95 1gwg h LYS 139 N 0.60 0.92 -0.43 1.57 1.57 -0.87 -1.54 116.57 118.40 1gwg h LYS 139 Ca 0.16 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1gwg h LYS 139 Cb -0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1gwg h LYS 139 CO -0.03 0.85 -0.02 1.25 -0.57 0.00 0.00 179.45 180.92 1gwg h LEU 140 N 0.87 0.76 -1.02 2.94 5.85 -0.70 -2.30 115.31 121.71 1gwg h LEU 140 Ca 0.18 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1gwg h LEU 140 Cb 0.37 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1gwg h LEU 140 CO 0.01 0.90 0.04 0.40 -0.34 0.00 0.00 178.44 179.44 1gwg h ILE 141 N 0.60 1.23 -0.45 4.05 2.04 -0.86 -1.76 117.51 122.36 1gwg h ILE 141 Ca 0.12 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1gwg h ILE 141 Cb 0.52 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1gwg h ILE 141 CO 0.03 0.32 0.11 0.50 0.00 0.00 0.00 178.15 179.10 1gwg h LYS 142 N 0.70 0.71 -0.60 2.37 1.63 -1.15 -0.96 116.57 119.27 1gwg h LYS 142 Ca 0.15 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1gwg h LYS 142 Cb 0.38 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 1gwg h LYS 142 CO 0.01 0.71 0.40 -0.22 -3.45 0.00 0.00 179.45 176.91 1gwg h LYS 143 N 0.59 0.79 -0.52 1.90 3.64 -1.19 0.10 116.57 121.88 1gwg h LYS 143 Ca 0.14 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1gwg h LYS 143 Cb 0.32 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1gwg h LYS 143 CO 0.00 0.52 -0.07 0.52 -2.27 0.00 0.00 179.45 178.16 1gwg h MET 144 N 0.82 0.94 -0.54 1.90 2.86 -1.17 0.18 114.93 119.92 1gwg h MET 144 Ca 0.22 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1gwg h MET 144 Cb -0.09 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1gwg h MET 144 CO -0.05 0.97 0.20 0.78 1.06 0.00 0.00 176.91 179.87 1gwg h GLY 145 N 0.97 0.88 0.81 8.32 0.00 -0.86 0.76 103.07 113.94 1gwg h GLY 145 Ca 0.14 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.01 1gwg h GLY 145 CO 0.04 0.46 0.13 -0.55 0.00 0.00 0.00 176.54 176.62 1gwg h ASP 146 N 0.73 0.17 -0.40 0.19 3.32 -0.26 -1.84 116.42 118.34 1gwg h ASP 146 Ca 0.18 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1gwg h ASP 146 Cb 0.23 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1gwg h ASP 146 CO -0.01 0.14 0.22 0.45 -1.72 0.00 0.00 179.24 178.32 1gwg h HIS 147 N 0.28 0.55 -0.86 4.55 3.86 -0.65 -2.23 115.15 120.65 1gwg h HIS 147 Ca 0.13 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.42 1gwg h HIS 147 Cb 0.07 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 28.30 1gwg h HIS 147 CO -0.11 0.42 0.51 -0.07 0.86 0.00 0.00 177.93 179.53 1gwg h LEU 148 N 0.52 0.75 -0.36 2.43 3.38 -0.50 0.31 115.31 121.83 1gwg h LEU 148 Ca 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1gwg h LEU 148 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1gwg h LEU 148 CO -0.02 0.43 0.13 0.74 0.09 0.00 0.00 178.44 179.81 1gwg h THR 149 N 0.86 1.20 -0.31 0.22 2.02 -1.12 0.18 112.91 115.95 1gwg h THR 149 Ca 0.41 -0.63 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1gwg h THR 149 Cb 0.34 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1gwg h THR 149 CO -0.23 0.22 -0.14 0.78 0.37 0.00 0.00 175.52 176.52 1gwg h ASN 150 N 0.44 0.67 -0.47 4.18 2.35 -0.82 -0.47 115.58 121.45 1gwg h ASN 150 Ca 0.12 -0.40 0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1gwg h ASN 150 Cb 0.22 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1gwg h ASN 150 CO -0.01 0.92 0.27 0.40 -1.65 0.00 0.00 177.43 177.37 1gwg h ILE 151 N 0.41 1.03 -0.80 2.81 2.04 -0.30 -1.73 117.51 120.98 1gwg h ILE 151 Ca 0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1gwg h ILE 151 Cb 0.66 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1gwg h ILE 151 CO 0.04 0.10 0.34 1.56 0.00 0.00 0.00 178.15 180.20 1gwg h GLN 152 N 0.54 1.18 -0.67 2.37 4.20 -0.50 -2.49 115.11 119.75 1gwg h GLN 152 Ca 0.19 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1gwg h GLN 152 Cb 0.03 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 1gwg h GLN 152 CO -0.10 0.94 0.44 -0.09 -0.67 0.00 0.00 178.83 179.35 1gwg h ARG 153 N 1.16 0.86 0.00 1.46 2.43 -0.68 -2.95 114.38 116.65 1gwg h ARG 153 Ca 0.27 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1gwg h ARG 153 Cb 0.18 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1gwg h ARG 153 CO -0.03 0.57 0.00 1.28 -1.51 0.00 0.00 179.97 180.28 1gwg n LEU 154 N -4.44 0.47 -4.65 3.80 4.77 -0.69 -5.10 117.00 111.16 1gwg n LEU 154 Ca 0.07 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.18 1gwg n LEU 154 Cb 0.06 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 1gwg n LEU 154 CO 0.36 -0.13 0.70 0.68 -1.33 0.00 0.00 177.39 177.67 1gwg s VAL 155 N -3.07 4.81 -0.07 4.08 -7.23 -1.12 -4.16 120.40 113.65 1gwg s VAL 155 Ca 0.12 1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 61.97 1gwg s VAL 155 Cb 0.15 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.92 1gwg s VAL 155 CO 0.55 -0.07 0.04 0.00 -0.31 0.00 0.00 175.10 175.32 1gwg n GLN 158 N 5.85 -0.44 -0.14 4.82 1.13 -1.26 -5.07 117.38 122.28 1gwg n GLN 158 Ca 0.07 -0.15 -0.09 0.00 -1.94 0.00 0.00 57.00 54.89 1gwg n GLN 158 Cb 0.48 0.16 -0.01 0.00 0.11 0.00 0.00 30.24 30.98 1gwg n GLN 158 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gwg h ALA 159 N 1.75 0.53 -0.56 -1.58 0.00 -2.00 -2.69 119.26 114.71 1gwg h ALA 159 Ca -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1gwg h ALA 159 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1gwg h ALA 159 CO 0.03 0.12 0.26 0.78 0.00 0.00 0.00 179.25 180.43 1gwg h GLY 160 N 0.51 0.88 1.01 0.00 0.00 -1.99 -1.36 103.07 102.11 1gwg h GLY 160 Ca 0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1gwg h GLY 160 CO -0.01 0.42 0.38 -2.00 0.00 0.00 0.00 176.54 175.33 1gwg h LEU 161 N 0.76 0.89 -0.39 3.11 5.85 -1.93 -1.87 115.31 121.73 1gwg h LEU 161 Ca 0.19 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1gwg h LEU 161 Cb 0.14 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1gwg h LEU 161 CO -0.02 0.73 -0.01 1.23 -0.34 0.00 0.00 178.44 180.04 1gwg h GLY 162 N 0.97 0.74 0.98 3.75 0.00 -1.19 -1.03 103.07 107.30 1gwg h GLY 162 Ca 0.25 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1gwg h GLY 162 CO -0.04 0.51 0.24 -2.09 0.00 0.00 0.00 176.54 175.16 1gwg h GLU 163 N 0.51 0.78 -0.19 4.80 4.81 -1.18 -0.39 114.58 123.73 1gwg h GLU 163 Ca 0.11 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1gwg h GLU 163 Cb 0.48 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1gwg h GLU 163 CO 0.02 0.66 0.09 -0.92 -0.73 0.00 0.00 179.01 178.13 1gwg h TYR 164 N 0.71 0.27 -0.88 0.92 3.20 -1.20 -2.45 116.97 117.55 1gwg h TYR 164 Ca 0.18 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1gwg h TYR 164 Cb 0.15 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1gwg h TYR 164 CO -0.00 0.30 0.46 -0.07 -1.64 0.00 0.00 178.16 177.21 1gwg h LEU 165 N 0.17 1.11 -0.46 2.82 3.38 -0.95 -0.86 115.31 120.52 1gwg h LEU 165 Ca 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1gwg h LEU 165 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1gwg h LEU 165 CO -0.01 0.91 0.23 0.15 0.09 0.00 0.00 178.44 179.81 1gwg h PHE 166 N 1.23 0.64 -0.41 1.13 3.57 -1.00 0.12 116.94 122.23 1gwg h PHE 166 Ca 0.31 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1gwg h PHE 166 Cb 0.06 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1gwg h PHE 166 CO 0.01 0.50 -0.05 1.49 -2.23 0.00 0.00 178.31 178.03 1gwg h GLU 167 N 0.60 0.68 0.16 1.11 4.22 -1.07 -1.04 114.58 119.22 1gwg h GLU 167 Ca 0.16 -0.19 -0.30 0.00 0.08 0.00 0.00 59.36 59.11 1gwg h GLU 167 Cb 0.09 -0.08 0.03 0.00 0.50 0.00 0.00 28.75 29.29 1gwg h GLU 167 CO -0.02 0.73 -1.30 0.00 -2.18 0.00 0.00 179.01 176.24 1gwg h ARG 168 N 0.63 0.53 0.00 1.92 2.47 -0.89 -3.22 114.38 115.83 1gwg h ARG 168 Ca 0.12 -0.78 0.00 0.00 -1.26 0.00 0.00 59.98 58.06 1gwg h ARG 168 Cb 0.47 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1gwg h ARG 168 CO 0.02 1.36 -1.56 1.28 0.56 0.00 0.00 179.97 181.63 1gwg n LEU 169 N -3.72 0.39 -0.05 3.04 4.77 0.39 -4.62 117.00 117.19 1gwg n LEU 169 Ca -0.13 -0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.63 1gwg n LEU 169 Cb 1.02 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 42.05 1gwg n LEU 169 CO 0.58 0.07 -0.86 0.41 -1.33 0.00 0.00 177.39 176.26 1gwg n THR 170 N -2.03 0.59 1.95 -5.08 -1.04 -0.43 -5.06 114.28 103.18 1gwg n THR 170 Ca -0.01 -0.19 0.16 0.00 -2.04 0.00 0.00 64.05 61.97 1gwg n THR 170 Cb 0.49 -1.27 0.91 0.00 -1.82 0.00 0.00 70.33 68.63 1gwg n THR 170 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61