#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ies s SER 2 N 0.00 1.01 0.53 4.04 1.04 -1.26 -5.03 113.70 114.02 1ies s SER 2 Ca 0.00 -0.15 0.40 0.00 0.48 0.00 0.00 55.95 56.68 1ies s SER 2 Cb 0.00 -0.13 1.38 0.00 0.10 0.00 0.00 66.02 67.37 1ies s SER 2 CO 0.00 0.10 1.36 0.00 0.98 0.00 0.00 173.24 175.68 1ies n GLN 3 N 2.92 0.00 0.02 4.02 10.64 -1.26 -0.80 117.38 132.92 1ies n GLN 3 Ca -0.14 0.98 0.11 0.00 -1.83 0.00 0.00 57.00 56.12 1ies n GLN 3 Cb 0.57 -2.32 -0.04 0.00 -0.86 0.00 0.00 30.24 27.59 1ies n GLN 3 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1ies n ILE 4 N -3.57 0.14 -1.97 -0.39 -5.35 -1.26 -4.95 119.36 102.01 1ies n ILE 4 Ca 0.35 -0.28 -0.42 0.00 -0.27 0.00 0.00 62.75 62.13 1ies n ILE 4 Cb 1.73 0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 39.85 1ies n ILE 4 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ies s ARG 5 N -3.25 4.23 -0.30 6.28 3.52 0.02 -4.84 118.95 124.61 1ies s ARG 5 Ca 0.02 2.33 -0.09 0.00 -0.13 0.00 0.00 55.73 57.85 1ies s ARG 5 Cb 0.14 -3.14 0.13 0.00 -1.56 0.00 0.00 34.95 30.53 1ies s ARG 5 CO 0.83 -0.54 0.65 -1.14 -0.81 0.00 0.00 175.30 174.30 1ies s GLN 6 N 0.58 0.58 -1.47 5.12 0.74 -1.26 -4.91 119.66 119.04 1ies s GLN 6 Ca 0.66 1.43 -0.07 0.00 0.05 0.00 0.00 55.36 57.42 1ies s GLN 6 Cb -0.43 0.86 0.02 0.00 1.10 0.00 0.00 33.01 34.56 1ies s GLN 6 CO 0.36 -0.23 0.82 -1.71 -0.55 0.00 0.00 175.29 173.98 1ies n ASN 7 N 5.45 -5.93 -4.17 6.67 5.15 -1.26 -5.01 115.26 116.16 1ies n ASN 7 Ca -0.11 -0.42 -0.34 0.00 -0.60 0.00 0.00 54.58 53.11 1ies n ASN 7 Cb 0.49 -4.74 -0.15 0.00 -0.53 0.00 0.00 39.78 34.85 1ies n ASN 7 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1ies s TYR 8 N -3.22 2.91 0.34 1.20 5.04 -1.26 -4.80 117.35 117.57 1ies s TYR 8 Ca 0.44 -1.52 0.01 0.00 -2.44 0.00 0.00 57.07 53.56 1ies s TYR 8 Cb -0.20 -1.99 -0.03 0.00 0.35 0.00 0.00 41.96 40.09 1ies s TYR 8 CO 0.54 -0.74 0.53 -1.54 -1.34 0.00 0.00 175.55 173.00 1ies s SER 9 N 1.33 6.24 0.34 4.32 1.04 -1.26 -4.97 113.70 120.73 1ies s SER 9 Ca 0.03 0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.83 1ies s SER 9 Cb -0.15 -1.92 0.60 0.00 0.10 0.00 0.00 66.02 64.65 1ies s SER 9 CO -0.09 -0.31 1.99 0.74 0.98 0.00 0.00 173.24 176.55 1ies h THR 10 N 0.78 1.15 0.29 2.02 2.02 -1.99 0.09 112.91 117.26 1ies h THR 10 Ca -0.50 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1ies h THR 10 Cb 1.23 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1ies h THR 10 CO 0.60 0.17 -0.16 -0.33 0.37 0.00 0.00 175.52 176.17 1ies h GLU 11 N 0.92 -0.40 -0.34 6.66 3.07 -1.99 -1.35 114.58 121.15 1ies h GLU 11 Ca 0.27 0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.07 1ies h GLU 11 Cb -0.05 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1ies h GLU 11 CO -0.07 -0.27 -0.14 0.28 -1.40 0.00 0.00 179.01 177.42 1ies h VAL 12 N -0.42 1.28 -0.42 3.13 2.07 -1.91 -0.55 116.25 119.44 1ies h VAL 12 Ca -0.03 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.32 1ies h VAL 12 Cb 0.33 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1ies h VAL 12 CO 0.05 0.40 0.06 -0.08 0.02 0.00 0.00 177.57 178.02 1ies h GLU 13 N 0.48 0.17 -0.67 1.57 4.81 -0.91 0.15 114.58 120.19 1ies h GLU 13 Ca 0.08 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1ies h GLU 13 Cb 0.66 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1ies h GLU 13 CO 0.04 0.11 0.19 0.00 -0.73 0.00 0.00 179.01 178.63 1ies h ALA 14 N 1.34 0.88 -0.56 2.92 0.00 -1.16 -1.46 119.26 121.22 1ies h ALA 14 Ca 0.21 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ies h ALA 14 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ies h ALA 14 CO -0.30 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 1ies h ALA 15 N 1.08 0.85 -0.17 0.00 0.00 0.10 -1.17 119.26 119.96 1ies h ALA 15 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ies h ALA 15 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ies h ALA 15 CO -0.00 0.66 0.08 0.28 0.00 0.00 0.00 179.25 180.27 1ies h VAL 16 N 0.91 1.14 -0.76 0.00 2.07 -0.64 0.12 116.25 119.10 1ies h VAL 16 Ca 0.16 -0.40 0.11 0.00 0.82 0.00 0.00 66.70 67.39 1ies h VAL 16 Cb 0.59 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1ies h VAL 16 CO 0.04 0.13 0.50 0.78 0.02 0.00 0.00 177.57 179.03 1ies h ASN 17 N 0.14 0.56 0.05 0.57 2.35 -0.91 -0.27 115.58 118.08 1ies h ASN 17 Ca 0.06 0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.60 1ies h ASN 17 Cb 0.13 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.41 1ies h ASN 17 CO -0.01 0.32 -0.88 0.03 -1.65 0.00 0.00 177.43 175.25 1ies h ARG 18 N 0.61 0.63 -0.08 0.81 3.08 -0.89 -3.14 114.38 115.41 1ies h ARG 18 Ca 0.35 -0.59 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 1ies h ARG 18 Cb 0.55 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ies h ARG 18 CO -0.13 1.20 -0.31 1.25 -1.07 0.00 0.00 179.97 180.92 1ies h LEU 19 N 0.40 0.14 -0.95 3.04 5.85 0.28 -1.98 115.31 122.10 1ies h LEU 19 Ca -0.08 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1ies h LEU 19 Cb 1.51 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 1ies h LEU 19 CO 0.17 0.46 0.63 0.58 -0.34 0.00 0.00 178.44 179.93 1ies h VAL 20 N 0.13 1.23 -0.49 1.05 2.07 -1.14 -1.08 116.25 118.03 1ies h VAL 20 Ca 0.02 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1ies h VAL 20 Cb 0.62 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1ies h VAL 20 CO 0.04 0.23 0.07 -1.13 0.02 0.00 0.00 177.57 176.81 1ies h ASN 21 N 1.27 0.78 -0.52 0.57 -0.73 -1.33 -0.94 115.58 114.68 1ies h ASN 21 Ca 0.35 -0.26 0.01 0.00 1.87 0.00 0.00 56.30 58.27 1ies h ASN 21 Cb -0.13 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.23 1ies h ASN 21 CO -0.08 0.85 0.33 -0.07 -0.37 0.00 0.00 177.43 178.09 1ies h LEU 22 N 0.68 0.56 -0.54 0.34 4.07 -0.88 0.11 115.31 119.65 1ies h LEU 22 Ca 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1ies h LEU 22 Cb 0.40 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1ies h LEU 22 CO 0.01 0.40 0.21 1.88 -1.08 0.00 0.00 178.44 179.87 1ies h TYR 23 N 0.67 0.82 -0.51 1.13 -1.99 -1.02 0.58 116.97 116.65 1ies h TYR 23 Ca 0.20 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 1ies h TYR 23 Cb -0.05 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.41 1ies h TYR 23 CO -0.05 0.67 0.26 -0.07 -0.00 0.00 0.00 178.16 178.97 1ies h LEU 24 N 0.73 0.66 -0.80 3.88 4.07 -0.94 -0.70 115.31 122.21 1ies h LEU 24 Ca 0.18 -0.11 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1ies h LEU 24 Cb 0.20 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1ies h LEU 24 CO -0.01 0.59 0.16 -0.09 -1.08 0.00 0.00 178.44 178.01 1ies h ARG 25 N 0.69 1.07 -0.71 1.13 2.43 -0.69 -0.59 114.38 117.70 1ies h ARG 25 Ca 0.18 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1ies h ARG 25 Cb 0.09 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1ies h ARG 25 CO -0.03 0.94 0.26 0.00 -1.51 0.00 0.00 179.97 179.64 1ies h ALA 26 N 1.16 1.13 0.04 2.80 0.00 -0.54 -0.32 119.26 123.53 1ies h ALA 26 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ies h ALA 26 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ies h ALA 26 CO 0.00 0.62 -0.11 1.03 0.00 0.00 0.00 179.25 180.79 1ies h SER 27 N 1.03 -0.31 -0.69 0.00 0.87 -0.61 0.42 113.55 114.26 1ies h SER 27 Ca 0.23 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1ies h SER 27 Cb 0.23 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 1ies h SER 27 CO -0.02 -0.17 0.42 0.22 -0.53 0.00 0.00 176.83 176.75 1ies h TYR 28 N -0.21 0.78 -0.07 2.24 3.20 -0.74 -0.09 116.97 122.08 1ies h TYR 28 Ca 0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1ies h TYR 28 Cb 0.24 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1ies h TYR 28 CO -0.15 0.42 -0.11 1.15 -1.64 0.00 0.00 178.16 177.83 1ies h THR 29 N 0.80 0.70 -0.33 1.81 2.02 -0.72 -1.26 112.91 115.93 1ies h THR 29 Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.42 1ies h THR 29 Cb 0.07 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1ies h THR 29 CO -0.13 0.00 -0.00 1.88 0.37 0.00 0.00 175.52 177.64 1ies h TYR 30 N -0.16 0.53 -0.23 3.16 0.05 -0.45 0.87 116.97 120.74 1ies h TYR 30 Ca 0.07 -0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.83 1ies h TYR 30 Cb 0.25 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1ies h TYR 30 CO -0.21 0.52 0.02 1.25 -1.05 0.00 0.00 178.16 178.69 1ies h LEU 31 N 0.49 -0.04 -0.16 3.88 5.85 -0.56 0.96 115.31 125.73 1ies h LEU 31 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ies h LEU 31 Cb 0.32 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1ies h LEU 31 CO 0.01 0.01 0.09 -1.28 -0.34 0.00 0.00 178.44 176.93 1ies h SER 32 N 0.10 0.15 -0.40 1.25 0.87 -0.67 -1.46 113.55 113.40 1ies h SER 32 Ca 0.11 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1ies h SER 32 Cb 0.12 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1ies h SER 32 CO -0.16 0.11 0.16 -0.07 -0.53 0.00 0.00 176.83 176.34 1ies h LEU 33 N 0.19 0.21 -0.52 2.23 3.38 -0.54 -2.53 115.31 117.73 1ies h LEU 33 Ca 0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ies h LEU 33 Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ies h LEU 33 CO -0.03 0.16 0.24 1.23 0.09 0.00 0.00 178.44 180.13 1ies h GLY 34 N 0.34 0.80 2.00 0.83 0.00 -0.65 -2.37 103.07 104.02 1ies h GLY 34 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ies h GLY 34 CO -0.16 0.39 0.00 0.69 0.00 0.00 0.00 176.54 177.46 1ies n PHE 35 N -4.58 0.33 -0.01 5.60 3.72 -0.57 -3.14 117.46 118.81 1ies n PHE 35 Ca 0.02 0.11 -0.13 0.00 -0.05 0.00 0.00 57.45 57.40 1ies n PHE 35 Cb 0.13 -0.67 -0.10 0.00 -0.94 0.00 0.00 39.48 37.89 1ies n PHE 35 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ies h TYR 36 N 0.00 -0.03 0.00 1.38 3.20 -0.98 -3.08 116.97 117.45 1ies h TYR 36 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ies h TYR 36 Cb 0.48 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1ies h TYR 36 CO 0.00 0.52 0.00 1.19 -1.64 0.00 0.00 178.16 178.23 1ies n PHE 37 N -4.84 0.00 0.71 -3.82 3.72 -1.14 -0.71 117.46 111.39 1ies n PHE 37 Ca -0.09 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.42 1ies n PHE 37 Cb 0.29 -0.09 0.03 0.00 -0.94 0.00 0.00 39.48 38.76 1ies n PHE 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ies n ASP 38 N -1.09 0.65 -4.76 4.37 2.03 -1.17 -0.84 116.55 115.74 1ies n ASP 38 Ca 0.05 -0.37 -0.40 0.00 0.52 0.00 0.00 54.79 54.60 1ies n ASP 38 Cb 0.04 0.78 0.02 0.00 -0.72 0.00 0.00 41.12 41.24 1ies n ASP 38 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ies s ARG 39 N -3.13 3.60 0.65 -0.67 0.52 0.12 -4.68 118.95 115.35 1ies s ARG 39 Ca 0.05 2.39 0.42 0.00 -0.52 0.00 0.00 55.73 58.08 1ies s ARG 39 Cb 0.15 -2.60 2.24 0.00 0.52 0.00 0.00 34.95 35.26 1ies s ARG 39 CO 0.80 -0.87 2.31 0.38 0.02 0.00 0.00 175.30 177.93 1ies h ASP 40 N 2.20 0.00 -0.64 0.23 2.03 -1.92 0.28 116.42 118.60 1ies h ASP 40 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1ies h ASP 40 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1ies h ASP 40 CO 0.60 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.92 1ies n ASP 41 N -3.11 3.80 0.00 4.15 5.75 -1.26 -4.31 116.55 121.58 1ies n ASP 41 Ca -0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1ies n ASP 41 Cb 0.11 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1ies n ASP 41 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ies n VAL 42 N 1.29 0.06 -3.83 2.12 0.31 0.02 -5.08 118.33 113.22 1ies n VAL 42 Ca 0.22 0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 64.23 1ies n VAL 42 Cb 0.64 -1.36 0.03 0.00 -0.91 0.00 0.00 33.84 32.24 1ies n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ies n ALA 43 N -2.96 -2.48 -3.79 3.52 0.00 0.79 -4.97 120.51 110.62 1ies n ALA 43 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 1ies n ALA 43 Cb 0.40 -3.32 -0.14 0.00 0.00 0.00 0.00 19.45 16.39 1ies n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ies s LEU 44 N -6.81 3.07 0.11 0.00 1.02 -0.02 -4.98 118.68 111.07 1ies s LEU 44 Ca 0.40 -2.32 -0.19 0.00 0.02 0.00 0.00 54.13 52.04 1ies s LEU 44 Cb -0.17 -1.15 -0.06 0.00 0.02 0.00 0.00 46.19 44.83 1ies s LEU 44 CO 0.90 -0.32 1.66 -0.33 0.02 0.00 0.00 176.35 178.27 1ies h GLU 45 N 7.22 0.38 -0.79 1.70 5.08 -1.94 -1.72 114.58 124.51 1ies h GLU 45 Ca -0.06 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1ies h GLU 45 Cb 0.96 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1ies h GLU 45 CO 0.51 0.40 0.52 0.78 -1.00 0.00 0.00 179.01 180.22 1ies h GLY 46 N 0.27 1.09 0.84 -3.84 0.00 -1.88 0.14 103.07 99.68 1ies h GLY 46 Ca 0.09 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.92 1ies h GLY 46 CO -0.01 0.24 -0.57 -2.08 0.00 0.00 0.00 176.54 174.13 1ies h VAL 47 N 0.84 1.39 -0.65 4.60 2.07 -1.80 -1.28 116.25 121.42 1ies h VAL 47 Ca 0.34 -1.96 0.10 0.00 0.82 0.00 0.00 66.70 66.00 1ies h VAL 47 Cb 0.26 2.40 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 1ies h VAL 47 CO -0.12 0.58 0.27 0.00 0.02 0.00 0.00 177.57 178.32 1ies h HIS 49 N 0.46 -0.74 -0.39 0.00 3.86 -0.46 -0.26 115.15 117.62 1ies h HIS 49 Ca 0.33 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.64 1ies h HIS 49 Cb 0.41 0.31 -0.09 0.00 1.06 0.00 0.00 27.41 29.10 1ies h HIS 49 CO -0.15 -0.38 -0.33 0.35 0.86 0.00 0.00 177.93 178.28 1ies h PHE 50 N -0.48 -0.93 -0.05 2.45 3.57 -0.81 0.68 116.94 121.36 1ies h PHE 50 Ca 0.03 0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1ies h PHE 50 Cb 0.51 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1ies h PHE 50 CO -0.26 -0.39 -0.68 0.74 -2.23 0.00 0.00 178.31 175.50 1ies h PHE 51 N -0.26 0.32 -0.59 0.41 0.04 -1.18 -2.54 116.94 113.13 1ies h PHE 51 Ca 0.17 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 1ies h PHE 51 Cb 0.54 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1ies h PHE 51 CO -0.54 0.84 0.10 0.00 -0.60 0.00 0.00 178.31 178.11 1ies h ARG 52 N 0.17 0.97 -0.50 1.51 2.47 -0.35 -0.89 114.38 117.76 1ies h ARG 52 Ca -0.02 -0.26 0.03 0.00 -1.26 0.00 0.00 59.98 58.48 1ies h ARG 52 Cb 1.21 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 29.38 1ies h ARG 52 CO 0.10 0.92 0.29 0.93 0.56 0.00 0.00 179.97 182.77 1ies h GLU 53 N 0.87 0.55 -0.77 0.04 5.08 -0.67 -2.33 114.58 117.35 1ies h GLU 53 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1ies h GLU 53 Cb 0.41 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1ies h GLU 53 CO 0.01 0.36 0.45 -0.07 -1.00 0.00 0.00 179.01 178.76 1ies h LEU 54 N 0.57 0.93 -0.20 1.33 3.38 -1.21 -1.07 115.31 119.04 1ies h LEU 54 Ca 0.21 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1ies h LEU 54 Cb 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1ies h LEU 54 CO -0.11 0.73 -0.05 0.00 0.09 0.00 0.00 178.44 179.10 1ies h ALA 55 N 1.43 0.12 -0.16 1.53 0.00 -0.63 -0.21 119.26 121.34 1ies h ALA 55 Ca 0.28 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1ies h ALA 55 Cb -0.02 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1ies h ALA 55 CO -0.05 -0.48 -0.02 1.49 0.00 0.00 0.00 179.25 180.19 1ies h GLU 56 N -0.01 0.02 -0.87 0.00 4.81 -1.10 -1.50 114.58 115.94 1ies h GLU 56 Ca 0.10 -0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.45 1ies h GLU 56 Cb 0.15 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.44 1ies h GLU 56 CO -0.21 0.02 0.49 0.93 -0.73 0.00 0.00 179.01 179.51 1ies h GLU 57 N 0.02 0.72 -0.13 1.92 5.08 -0.75 -0.14 114.58 121.31 1ies h GLU 57 Ca 0.08 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 1ies h GLU 57 Cb 0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1ies h GLU 57 CO -0.15 0.48 -0.67 0.87 -1.00 0.00 0.00 179.01 178.53 1ies h LYS 58 N 0.74 0.52 -0.30 2.33 1.79 -0.47 -1.50 116.57 119.68 1ies h LYS 58 Ca 0.45 -0.39 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1ies h LYS 58 Cb 0.54 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1ies h LYS 58 CO -0.31 1.01 0.17 -0.09 -1.08 0.00 0.00 179.45 179.15 1ies h ARG 59 N 0.37 0.41 -0.94 3.15 2.43 -0.56 -1.53 114.38 117.71 1ies h ARG 59 Ca -0.02 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1ies h ARG 59 Cb 1.25 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 1ies h ARG 59 CO 0.12 0.34 0.62 0.93 -1.51 0.00 0.00 179.97 180.47 1ies h GLU 60 N 0.37 1.24 -0.55 0.20 5.08 -0.95 -1.23 114.58 118.75 1ies h GLU 60 Ca 0.11 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1ies h GLU 60 Cb 0.04 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 28.96 1ies h GLU 60 CO -0.02 0.83 0.31 0.78 -1.00 0.00 0.00 179.01 179.91 1ies h GLY 61 N 1.28 0.79 0.99 -3.84 0.00 -0.87 -0.56 103.07 100.87 1ies h GLY 61 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ies h GLY 61 CO -0.07 0.16 0.27 0.00 0.00 0.00 0.00 176.54 176.89 1ies h ALA 62 N 1.28 0.53 -0.80 3.60 0.00 -0.79 -1.37 119.26 121.71 1ies h ALA 62 Ca 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ies h ALA 62 Cb 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ies h ALA 62 CO -0.14 0.01 0.53 0.93 0.00 0.00 0.00 179.25 180.57 1ies h GLU 63 N 0.56 1.04 -0.23 0.00 5.08 -0.92 -0.73 114.58 119.38 1ies h GLU 63 Ca 0.15 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1ies h GLU 63 Cb -0.03 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 28.93 1ies h GLU 63 CO -0.03 0.69 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.47 1ies h ARG 64 N 1.07 -0.07 -0.82 2.33 2.43 -0.76 0.12 114.38 118.68 1ies h ARG 64 Ca 0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1ies h ARG 64 Cb -0.10 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 1ies h ARG 64 CO -0.07 -0.05 0.50 -0.07 -1.51 0.00 0.00 179.97 178.77 1ies h LEU 65 N -0.07 0.99 -0.65 3.80 3.38 -1.00 -1.55 115.31 120.20 1ies h LEU 65 Ca 0.12 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ies h LEU 65 Cb 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ies h LEU 65 CO -0.28 0.76 0.31 -0.07 0.09 0.00 0.00 178.44 179.25 1ies h LEU 66 N 1.13 0.86 -0.92 1.67 4.07 -0.68 -0.65 115.31 120.79 1ies h LEU 66 Ca 0.30 -0.14 -0.08 0.00 0.08 0.00 0.00 57.88 58.04 1ies h LEU 66 Cb -0.05 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 1ies h LEU 66 CO -0.06 0.75 -0.05 0.50 -1.08 0.00 0.00 178.44 178.51 1ies h LYS 67 N 0.90 0.74 -0.47 1.13 3.64 -0.69 -2.69 116.57 119.13 1ies h LYS 67 Ca 0.22 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1ies h LYS 67 Cb 0.13 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1ies h LYS 67 CO -0.03 0.78 -0.12 1.98 -2.27 0.00 0.00 179.45 179.80 1ies h MET 68 N 0.69 0.88 -0.27 1.90 4.05 -0.91 -1.18 114.93 120.08 1ies h MET 68 Ca 0.13 -0.31 0.06 0.00 -0.28 0.00 0.00 59.70 59.30 1ies h MET 68 Cb 0.49 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.16 1ies h MET 68 CO 0.03 0.95 -0.12 0.37 0.23 0.00 0.00 176.91 178.36 1ies h GLN 69 N 0.79 -0.08 -0.49 0.39 5.75 -0.96 -1.29 115.11 119.23 1ies h GLN 69 Ca 0.13 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1ies h GLN 69 Cb 0.64 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1ies h GLN 69 CO 0.04 -0.05 0.03 -0.91 -2.65 0.00 0.00 178.83 175.28 1ies h ASN 70 N -0.09 0.75 -0.18 -0.69 2.35 -1.28 0.13 115.58 116.57 1ies h ASN 70 Ca 0.14 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1ies h ASN 70 Cb 0.30 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1ies h ASN 70 CO -0.33 0.80 -0.02 1.56 -1.65 0.00 0.00 177.43 177.80 1ies h GLN 71 N 0.74 0.47 0.00 0.81 4.20 -0.38 -3.12 115.11 117.83 1ies h GLN 71 Ca 0.15 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1ies h GLN 71 Cb 0.42 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1ies h GLN 71 CO 0.01 0.52 -0.37 0.00 -0.67 0.00 0.00 178.83 178.32 1ies h ARG 72 N 0.45 0.00 0.00 1.46 2.47 -0.99 -3.48 114.38 114.29 1ies h ARG 72 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1ies h ARG 72 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1ies h ARG 72 CO 0.01 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.95 1ies n GLY 73 N 1.29 1.12 3.92 0.04 0.00 -0.92 -4.00 105.19 106.64 1ies n GLY 73 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1ies n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ies s GLY 74 N -2.00 1.67 -0.13 -0.02 0.00 0.43 -4.70 107.32 102.56 1ies s GLY 74 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1ies s GLY 74 CO 0.00 -0.40 -0.15 -1.60 0.00 0.00 0.00 173.10 170.95 1ies s ARG 75 N -5.46 2.25 0.23 2.90 6.06 -1.26 -4.32 118.95 119.34 1ies s ARG 75 Ca 0.63 -0.56 -0.30 0.00 -2.50 0.00 0.00 55.73 53.01 1ies s ARG 75 Cb -0.10 -1.99 -0.09 0.00 0.06 0.00 0.00 34.95 32.84 1ies s ARG 75 CO 0.48 -0.15 1.09 0.00 -2.50 0.00 0.00 175.30 174.22 1ies s ALA 76 N 1.23 3.39 -0.01 6.12 0.00 -1.26 -4.97 121.76 126.26 1ies s ALA 76 Ca -0.01 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1ies s ALA 76 Cb -0.14 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1ies s ALA 76 CO -0.06 -0.16 -0.07 -0.51 0.00 0.00 0.00 175.76 174.95 1ies s LEU 77 N -0.97 1.91 -0.05 0.00 1.43 -1.26 -5.14 118.68 114.60 1ies s LEU 77 Ca 0.46 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1ies s LEU 77 Cb -0.31 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1ies s LEU 77 CO 0.38 0.07 -0.24 -0.36 0.23 0.00 0.00 176.35 176.43 1ies s PHE 78 N -0.01 2.34 0.46 0.29 0.08 -1.26 -4.85 117.98 115.05 1ies s PHE 78 Ca 0.00 -0.66 0.04 0.00 0.12 0.00 0.00 56.93 56.44 1ies s PHE 78 Cb -0.05 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1ies s PHE 78 CO -0.00 -0.18 0.03 -0.65 -0.10 0.00 0.00 175.22 174.31 1ies s GLN 79 N -0.21 2.10 0.70 0.44 -0.21 -1.26 -5.13 119.66 116.09 1ies s GLN 79 Ca -0.02 -2.24 -0.15 0.00 0.02 0.00 0.00 55.36 52.98 1ies s GLN 79 Cb -0.13 -1.62 0.03 0.00 1.00 0.00 0.00 33.01 32.29 1ies s GLN 79 CO 0.03 -0.23 1.17 -0.51 -2.12 0.00 0.00 175.29 173.63 1ies s ASP 80 N -3.82 4.52 -0.31 5.90 1.01 -1.26 -5.00 116.67 117.71 1ies s ASP 80 Ca 0.21 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.63 1ies s ASP 80 Cb 0.05 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.42 1ies s ASP 80 CO 0.11 -2.04 0.10 -0.76 0.21 0.00 0.00 175.17 172.79 1ies s LEU 81 N -5.04 4.00 0.31 1.23 1.02 -1.26 -5.06 118.68 113.88 1ies s LEU 81 Ca 0.72 -0.77 -0.29 0.00 0.02 0.00 0.00 54.13 53.80 1ies s LEU 81 Cb -0.26 -1.90 -0.10 0.00 0.02 0.00 0.00 46.19 43.95 1ies s LEU 81 CO 0.44 -0.22 1.21 -1.10 0.02 0.00 0.00 176.35 176.69 1ies s GLN 82 N 1.50 4.47 0.92 1.70 -0.21 -1.26 -5.00 119.66 121.79 1ies s GLN 82 Ca 0.02 2.02 -0.10 0.00 0.02 0.00 0.00 55.36 57.32 1ies s GLN 82 Cb -0.18 -3.11 0.15 0.00 1.00 0.00 0.00 33.01 30.88 1ies s GLN 82 CO 0.03 -0.01 1.14 -1.59 -2.12 0.00 0.00 175.29 172.74 1ies s LYS 83 N -1.66 0.93 0.61 2.91 -2.85 -1.26 -4.93 119.74 113.49 1ies s LYS 83 Ca 0.47 1.53 -0.19 0.00 -1.00 0.00 0.00 55.97 56.78 1ies s LYS 83 Cb -0.36 -1.72 -0.03 0.00 -2.06 0.00 0.00 37.83 33.67 1ies s LYS 83 CO 0.47 -2.69 1.29 -2.14 0.10 0.00 0.00 175.35 172.38 1ies s PRO 84 N -4.64 2.79 0.26 1.78 0.02 -1.26 -4.91 135.00 129.04 1ies s PRO 84 Ca 0.67 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.71 1ies s PRO 84 Cb -0.23 -1.96 0.55 0.00 0.02 0.00 0.00 34.50 32.88 1ies s PRO 84 CO 0.58 -1.41 1.71 0.66 -0.33 0.00 0.00 177.00 178.22 1ies h SER 85 N 0.84 0.27 -2.49 2.53 4.64 -1.98 -3.43 113.55 113.93 1ies h SER 85 Ca -0.51 0.13 -0.62 0.00 -0.47 0.00 0.00 61.79 60.32 1ies h SER 85 Cb 1.32 0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 63.38 1ies h SER 85 CO 0.55 0.06 -0.77 -1.10 -0.87 0.00 0.00 176.83 174.70 1ies s GLN 86 N -5.98 1.71 -0.02 4.77 -0.21 -1.26 -5.04 119.66 113.62 1ies s GLN 86 Ca -0.12 -1.66 0.16 0.00 0.02 0.00 0.00 55.36 53.76 1ies s GLN 86 Cb 0.22 -1.84 -0.25 0.00 1.00 0.00 0.00 33.01 32.14 1ies s GLN 86 CO 0.77 0.35 0.37 -0.25 -2.12 0.00 0.00 175.29 174.41 1ies n ASP 87 N -0.39 1.25 -4.06 5.90 8.00 -1.26 -4.92 116.55 121.07 1ies n ASP 87 Ca -0.07 -0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.18 1ies n ASP 87 Cb 0.59 1.73 -0.16 0.00 -0.02 0.00 0.00 41.12 43.26 1ies n ASP 87 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ies s GLU 88 N -3.12 1.28 0.00 -1.24 2.02 -1.26 -5.02 118.70 111.37 1ies s GLU 88 Ca -0.06 -0.43 0.12 0.00 0.02 0.00 0.00 54.97 54.62 1ies s GLU 88 Cb 0.10 -1.16 0.02 0.00 0.10 0.00 0.00 34.13 33.19 1ies s GLU 88 CO 0.68 0.18 0.73 0.91 0.02 0.00 0.00 175.26 177.78 1ies n TRP 89 N 3.19 0.00 -0.04 1.61 7.02 -1.26 -5.09 117.44 122.87 1ies n TRP 89 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1ies n TRP 89 Cb 0.54 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 1ies n TRP 89 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ies n GLY 90 N 0.91 0.71 3.88 6.99 0.00 -1.26 -3.75 105.19 112.67 1ies n GLY 90 Ca 0.05 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1ies n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ies s THR 91 N 0.00 2.19 0.33 2.61 -4.23 -1.26 -4.92 115.64 110.36 1ies s THR 91 Ca 0.00 -1.43 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 1ies s THR 91 Cb 0.00 -2.61 0.31 0.00 1.34 0.00 0.00 72.50 71.54 1ies s THR 91 CO 0.00 0.00 1.85 0.74 -0.54 0.00 0.00 174.62 176.67 1ies h THR 92 N 0.92 0.85 -0.29 3.99 2.02 -1.98 0.15 112.91 118.57 1ies h THR 92 Ca -0.39 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1ies h THR 92 Cb 1.28 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1ies h THR 92 CO 0.58 0.14 -0.11 0.25 0.37 0.00 0.00 175.52 176.75 1ies h LEU 93 N 0.79 0.60 -0.51 2.58 5.85 -1.95 0.32 115.31 123.00 1ies h LEU 93 Ca 0.47 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1ies h LEU 93 Cb 0.66 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1ies h LEU 93 CO -0.24 0.86 0.15 0.44 -0.34 0.00 0.00 178.44 179.31 1ies h ASP 94 N 0.34 0.76 0.03 1.25 3.32 -1.68 -1.50 116.42 118.94 1ies h ASP 94 Ca 0.07 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ies h ASP 94 Cb 0.62 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1ies h ASP 94 CO 0.04 0.77 -0.03 0.00 -1.72 0.00 0.00 179.24 178.30 1ies h ALA 95 N 1.01 -0.05 -0.61 3.45 0.00 -0.22 -0.98 119.26 121.87 1ies h ALA 95 Ca 0.16 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ies h ALA 95 Cb 0.29 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1ies h ALA 95 CO -0.00 -0.53 0.30 0.52 0.00 0.00 0.00 179.25 179.54 1ies h MET 96 N -0.06 0.54 -0.45 0.00 2.86 -0.30 -0.61 114.93 116.90 1ies h MET 96 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1ies h MET 96 Cb 0.06 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1ies h MET 96 CO -0.00 0.36 0.29 0.87 1.06 0.00 0.00 176.91 179.48 1ies h LYS 97 N 0.56 0.57 -0.60 1.72 1.57 -1.01 0.74 116.57 120.12 1ies h LYS 97 Ca 0.28 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1ies h LYS 97 Cb 0.23 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1ies h LYS 97 CO -0.21 0.38 0.34 0.00 -0.57 0.00 0.00 179.45 179.39 1ies h ALA 98 N 1.18 0.78 0.06 3.86 0.00 -0.71 -2.54 119.26 121.90 1ies h ALA 98 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ies h ALA 98 Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ies h ALA 98 CO -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 179.25 179.20 1ies h ALA 99 N 1.29 -0.08 -0.14 0.00 0.00 -0.61 -1.28 119.26 118.44 1ies h ALA 99 Ca 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ies h ALA 99 Cb 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ies h ALA 99 CO -0.14 -0.43 0.04 0.97 0.00 0.00 0.00 179.25 179.69 1ies h ILE 100 N -0.32 1.07 -0.28 0.00 2.10 -0.77 0.15 117.51 119.46 1ies h ILE 100 Ca -0.01 -0.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 1ies h ILE 100 Cb 0.28 0.92 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1ies h ILE 100 CO 0.01 0.08 0.10 0.58 -1.08 0.00 0.00 178.15 177.84 1ies h VAL 101 N 0.20 1.19 -0.23 2.19 2.07 -1.36 0.12 116.25 120.43 1ies h VAL 101 Ca 0.05 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1ies h VAL 101 Cb 0.06 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1ies h VAL 101 CO -0.00 0.20 0.13 0.25 0.02 0.00 0.00 177.57 178.17 1ies h LEU 102 N 0.29 0.21 -0.58 2.57 5.85 0.32 -1.77 115.31 122.20 1ies h LEU 102 Ca 0.09 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ies h LEU 102 Cb 0.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1ies h LEU 102 CO -0.00 0.16 0.24 -0.33 -0.34 0.00 0.00 178.44 178.16 1ies h GLU 103 N 0.27 0.86 -0.78 1.25 4.39 -0.65 -2.15 114.58 117.76 1ies h GLU 103 Ca 0.09 -0.15 0.10 0.00 0.34 0.00 0.00 59.36 59.74 1ies h GLU 103 Cb 0.00 -0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.44 1ies h GLU 103 CO -0.05 0.73 0.42 -0.22 -1.16 0.00 0.00 179.01 178.74 1ies h LYS 104 N 0.79 0.69 -0.47 2.33 1.63 -0.75 0.36 116.57 121.14 1ies h LYS 104 Ca 0.19 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.82 1ies h LYS 104 Cb 0.19 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1ies h LYS 104 CO -0.02 0.45 -0.21 0.66 -3.45 0.00 0.00 179.45 176.88 1ies h SER 105 N 0.71 0.99 -0.47 4.20 4.64 -0.84 -0.11 113.55 122.66 1ies h SER 105 Ca 0.38 -0.37 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1ies h SER 105 Cb 0.38 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1ies h SER 105 CO -0.26 1.16 0.30 -0.07 -0.87 0.00 0.00 176.83 177.10 1ies h LEU 106 N 0.84 0.52 -0.69 5.97 4.07 -0.80 -0.79 115.31 124.43 1ies h LEU 106 Ca 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1ies h LEU 106 Cb 0.78 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.37 1ies h LEU 106 CO 0.07 0.37 0.39 -1.13 -1.08 0.00 0.00 178.44 177.06 1ies h ASN 107 N 0.62 0.85 -0.76 -0.43 -0.00 0.02 -1.50 115.58 114.38 1ies h ASN 107 Ca 0.18 -0.09 -0.03 0.00 -0.00 0.00 0.00 56.30 56.36 1ies h ASN 107 Cb -0.05 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.01 1ies h ASN 107 CO -0.05 0.69 0.35 -0.61 -0.00 0.00 0.00 177.43 177.82 1ies h GLN 108 N 0.94 1.12 -0.94 6.67 5.75 -0.69 -0.18 115.11 127.79 1ies h GLN 108 Ca 0.24 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1ies h GLN 108 Cb 0.02 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.32 1ies h GLN 108 CO -0.04 0.87 0.61 0.00 -2.65 0.00 0.00 178.83 177.63 1ies h ALA 109 N 1.28 1.22 -0.35 3.38 0.00 -0.43 0.12 119.26 124.48 1ies h ALA 109 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ies h ALA 109 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ies h ALA 109 CO -0.03 0.52 -0.00 -0.07 0.00 0.00 0.00 179.25 179.67 1ies h LEU 110 N 1.21 0.61 -0.53 0.00 3.38 -0.77 -0.53 115.31 118.68 1ies h LEU 110 Ca 0.36 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ies h LEU 110 Cb -0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1ies h LEU 110 CO -0.10 0.77 0.32 -0.07 0.09 0.00 0.00 178.44 179.44 1ies h LEU 111 N 0.43 0.52 -0.15 1.67 4.07 -0.65 0.33 115.31 121.53 1ies h LEU 111 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1ies h LEU 111 Cb 0.46 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1ies h LEU 111 CO 0.02 0.37 0.06 0.44 -1.08 0.00 0.00 178.44 178.25 1ies h ASP 112 N 0.64 0.20 -0.77 -0.43 5.19 -0.62 -2.04 116.42 118.59 1ies h ASP 112 Ca 0.21 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1ies h ASP 112 Cb 0.02 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.44 1ies h ASP 112 CO -0.10 0.30 0.46 0.25 -3.12 0.00 0.00 179.24 177.03 1ies h LEU 113 N 0.09 0.94 -0.80 1.55 5.85 -0.65 -0.96 115.31 121.32 1ies h LEU 113 Ca 0.05 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.79 1ies h LEU 113 Cb 0.16 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1ies h LEU 113 CO -0.00 0.73 0.45 -0.74 -0.34 0.00 0.00 178.44 178.54 1ies h HIS 114 N 1.06 0.82 -0.59 1.25 2.76 -0.25 -0.50 115.15 119.70 1ies h HIS 114 Ca 0.28 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.39 1ies h HIS 114 Cb -0.02 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1ies h HIS 114 CO -0.01 0.33 0.01 0.00 -1.30 0.00 0.00 177.93 176.97 1ies h ALA 115 N 1.45 0.91 0.15 5.26 0.00 -0.48 -0.89 119.26 125.66 1ies h ALA 115 Ca 0.39 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ies h ALA 115 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ies h ALA 115 CO -0.25 0.65 -0.17 1.25 0.00 0.00 0.00 179.25 180.73 1ies h LEU 116 N 0.93 -0.46 -0.67 0.00 6.46 -0.47 -0.47 115.31 120.63 1ies h LEU 116 Ca 0.17 0.05 0.12 0.00 -0.12 0.00 0.00 57.88 58.10 1ies h LEU 116 Cb 0.52 0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 40.53 1ies h LEU 116 CO 0.03 -0.26 0.24 1.23 -0.62 0.00 0.00 178.44 179.06 1ies h GLY 117 N -0.36 0.96 1.54 3.75 0.00 -0.81 0.21 103.07 108.35 1ies h GLY 117 Ca 0.01 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 1ies h GLY 117 CO -0.06 -0.07 -0.55 1.48 0.00 0.00 0.00 176.54 177.34 1ies h SER 118 N 0.39 0.54 -0.37 0.19 4.64 -0.91 0.43 113.55 118.47 1ies h SER 118 Ca 0.35 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1ies h SER 118 Cb 0.50 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1ies h SER 118 CO -0.37 0.98 0.20 0.00 -0.87 0.00 0.00 176.83 176.76 1ies h ALA 119 N 1.03 0.47 0.00 5.18 0.00 -0.06 -2.65 119.26 123.22 1ies h ALA 119 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ies h ALA 119 Cb 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ies h ALA 119 CO 0.10 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1ies n GLN 120 N -4.75 0.53 -3.50 0.00 1.13 0.63 -4.91 117.38 106.50 1ies n GLN 120 Ca -0.00 0.04 -0.21 0.00 -1.94 0.00 0.00 57.00 54.88 1ies n GLN 120 Cb 0.08 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 28.99 1ies n GLN 120 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ies n ALA 121 N -1.13 -2.34 -3.67 -1.58 0.00 -0.85 -4.99 120.51 105.96 1ies n ALA 121 Ca 0.14 -0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 1ies n ALA 121 Cb 0.12 -4.02 -0.08 0.00 0.00 0.00 0.00 19.45 15.46 1ies n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ies s ASP 122 N -3.76 5.45 0.41 0.00 -1.08 0.15 -4.96 116.67 112.87 1ies s ASP 122 Ca 0.30 -2.89 0.12 0.00 -0.52 0.00 0.00 52.55 49.56 1ies s ASP 122 Cb -0.07 -1.90 0.85 0.00 -1.46 0.00 0.00 42.92 40.34 1ies s ASP 122 CO 0.79 -0.38 1.92 1.55 0.52 0.00 0.00 175.17 179.57 1ies h PRO 123 N 7.05 0.10 -0.45 4.34 0.13 -1.94 -3.07 132.00 138.16 1ies h PRO 123 Ca 0.01 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 1ies h PRO 123 Cb 0.96 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1ies h PRO 123 CO 0.72 0.31 -0.05 1.25 -0.23 0.00 0.00 178.00 179.99 1ies h HIS 124 N 0.10 0.93 0.17 1.56 -0.00 -1.97 -0.27 115.15 115.68 1ies h HIS 124 Ca 0.02 -0.18 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 1ies h HIS 124 Cb 0.41 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1ies h HIS 124 CO 0.00 0.91 -0.08 1.25 -0.00 0.00 0.00 177.93 180.01 1ies h LEU 125 N 0.68 -0.20 -0.63 0.26 5.85 -1.95 0.19 115.31 119.50 1ies h LEU 125 Ca 0.12 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1ies h LEU 125 Cb 0.58 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1ies h LEU 125 CO 0.03 -0.07 0.32 0.00 -0.34 0.00 0.00 178.44 178.38 1ies h ASP 127 N 0.58 0.11 -0.43 0.00 3.58 -0.80 -0.51 116.42 118.95 1ies h ASP 127 Ca 0.30 -0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.76 1ies h ASP 127 Cb 0.25 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.21 1ies h ASP 127 CO -0.22 0.14 0.05 0.15 -2.88 0.00 0.00 179.24 176.48 1ies h PHE 128 N 0.08 0.07 -0.09 0.28 3.57 0.39 0.41 116.94 121.65 1ies h PHE 128 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ies h PHE 128 Cb 0.05 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1ies h PHE 128 CO -0.05 -0.04 0.03 -0.07 -2.23 0.00 0.00 178.31 175.95 1ies h LEU 129 N 0.17 0.14 -0.59 0.59 4.07 -0.50 -0.25 115.31 118.93 1ies h LEU 129 Ca 0.21 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1ies h LEU 129 Cb 0.29 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1ies h LEU 129 CO -0.31 0.31 0.36 -0.33 -1.08 0.00 0.00 178.44 177.38 1ies h GLU 130 N -0.04 0.80 -0.27 1.13 5.08 -0.77 -0.62 114.58 119.90 1ies h GLU 130 Ca 0.03 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1ies h GLU 130 Cb 0.22 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ies h GLU 130 CO -0.00 0.57 -0.05 0.77 -1.00 0.00 0.00 179.01 179.30 1ies h SER 131 N 0.80 0.51 0.00 1.42 0.02 -0.02 -3.39 113.55 112.89 1ies h SER 131 Ca 0.21 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1ies h SER 131 Cb -0.03 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1ies h SER 131 CO -0.04 0.74 -1.65 1.41 -1.14 0.00 0.00 176.83 176.15 1ies n HIS 132 N -4.55 0.00 -0.01 3.45 8.25 -0.12 -4.85 115.22 117.40 1ies n HIS 132 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1ies n HIS 132 Cb 0.29 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 31.06 1ies n HIS 132 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ies n PHE 133 N -2.00 0.00 -0.15 4.41 3.72 -0.33 -4.65 117.46 118.46 1ies n PHE 133 Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 1ies n PHE 133 Cb 0.39 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1ies n PHE 133 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1ies h LEU 134 N -0.03 0.53 -0.18 4.37 4.07 -1.51 -1.06 115.31 121.51 1ies h LEU 134 Ca -0.03 -0.03 -0.11 0.00 0.08 0.00 0.00 57.88 57.79 1ies h LEU 134 Cb 1.03 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 1ies h LEU 134 CO -0.01 0.41 -0.31 -0.78 -1.08 0.00 0.00 178.44 176.67 1ies h ASP 135 N 0.61 0.59 -0.69 -0.43 3.58 -1.84 -1.99 116.42 116.24 1ies h ASP 135 Ca 0.16 -0.53 0.12 0.00 0.42 0.00 0.00 57.03 57.20 1ies h ASP 135 Cb -0.04 -0.17 -0.08 0.00 1.72 0.00 0.00 39.33 40.76 1ies h ASP 135 CO -0.03 1.01 0.27 -0.08 -2.88 0.00 0.00 179.24 177.53 1ies h GLU 136 N 0.18 0.43 -0.38 0.28 4.81 -1.78 0.40 114.58 118.52 1ies h GLU 136 Ca 0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ies h GLU 136 Cb 0.89 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1ies h GLU 136 CO 0.07 0.28 0.23 1.49 -0.73 0.00 0.00 179.01 180.35 1ies h GLU 137 N 0.44 0.52 -0.72 1.92 4.57 -1.10 -0.03 114.58 120.19 1ies h GLU 137 Ca 0.36 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1ies h GLU 137 Cb 0.50 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1ies h GLU 137 CO -0.35 0.40 0.19 0.28 -1.18 0.00 0.00 179.01 178.34 1ies h VAL 138 N 0.50 1.26 -0.39 0.32 2.07 -0.21 -1.35 116.25 118.45 1ies h VAL 138 Ca 0.14 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.56 1ies h VAL 138 Cb 0.02 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1ies h VAL 138 CO -0.02 0.37 -0.29 0.11 0.02 0.00 0.00 177.57 177.76 1ies h LYS 139 N 1.09 0.89 -0.31 1.57 1.57 -0.93 -2.46 116.57 117.99 1ies h LYS 139 Ca 0.23 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1ies h LYS 139 Cb 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1ies h LYS 139 CO 0.00 1.08 0.07 1.25 -0.57 0.00 0.00 179.45 181.28 1ies h LEU 140 N 0.71 0.48 -1.01 2.94 5.85 -0.70 -0.57 115.31 123.00 1ies h LEU 140 Ca 0.08 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1ies h LEU 140 Cb 0.87 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1ies h LEU 140 CO 0.08 0.60 0.19 0.40 -0.34 0.00 0.00 178.44 179.36 1ies h ILE 141 N 0.34 1.23 -0.49 4.05 2.04 -1.31 -0.26 117.51 123.11 1ies h ILE 141 Ca 0.10 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 1ies h ILE 141 Cb 0.31 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1ies h ILE 141 CO 0.00 0.30 0.02 0.50 0.00 0.00 0.00 178.15 178.98 1ies h LYS 142 N 0.88 0.84 -0.73 2.37 3.64 -1.04 0.64 116.57 123.17 1ies h LYS 142 Ca 0.20 -0.26 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1ies h LYS 142 Cb 0.25 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 1ies h LYS 142 CO -0.01 0.87 0.38 -0.22 -2.27 0.00 0.00 179.45 178.21 1ies h LYS 143 N 0.70 0.64 -0.52 1.90 3.64 -0.06 0.12 116.57 122.99 1ies h LYS 143 Ca 0.14 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 1ies h LYS 143 Cb 0.48 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1ies h LYS 143 CO 0.02 0.42 -0.12 0.52 -2.27 0.00 0.00 179.45 178.02 1ies h MET 144 N 0.66 1.00 -0.68 1.90 2.86 -0.76 -0.19 114.93 119.72 1ies h MET 144 Ca 0.35 -0.37 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1ies h MET 144 Cb 0.33 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 1ies h MET 144 CO -0.25 1.05 0.36 0.78 1.06 0.00 0.00 176.91 179.91 1ies h GLY 145 N 0.94 1.00 0.98 8.32 0.00 0.67 -0.50 103.07 114.48 1ies h GLY 145 Ca 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1ies h GLY 145 CO 0.05 0.12 0.19 -0.55 0.00 0.00 0.00 176.54 176.35 1ies h ASP 146 N 0.65 0.75 -0.30 0.19 5.19 -0.64 -2.33 116.42 119.93 1ies h ASP 146 Ca 0.32 -0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1ies h ASP 146 Cb 0.25 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1ies h ASP 146 CO -0.21 0.74 0.18 0.45 -3.12 0.00 0.00 179.24 177.27 1ies h HIS 147 N 0.73 0.40 -0.44 4.55 3.86 -0.32 -1.89 115.15 122.04 1ies h HIS 147 Ca 0.18 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.45 1ies h HIS 147 Cb 0.23 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 1ies h HIS 147 CO 0.01 0.31 0.12 -0.07 0.86 0.00 0.00 177.93 179.16 1ies h LEU 148 N 0.38 0.08 -0.86 2.43 3.38 -0.92 0.17 115.31 119.97 1ies h LEU 148 Ca 0.11 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1ies h LEU 148 Cb 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ies h LEU 148 CO -0.02 0.08 -0.48 0.71 0.09 0.00 0.00 178.44 178.82 1ies h THR 149 N 0.27 1.13 -0.28 0.22 1.35 -1.30 0.38 112.91 114.68 1ies h THR 149 Ca 0.21 -1.78 -0.12 0.00 -0.55 0.00 0.00 66.41 64.17 1ies h THR 149 Cb 0.24 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1ies h THR 149 CO -0.25 0.47 -0.30 0.78 -0.25 0.00 0.00 175.52 175.97 1ies h ASN 150 N 0.00 0.75 -0.50 5.36 4.21 -0.62 -1.01 115.58 123.77 1ies h ASN 150 Ca -0.00 -0.48 -0.03 0.00 1.21 0.00 0.00 56.30 56.99 1ies h ASN 150 Cb 0.98 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.95 1ies h ASN 150 CO 0.06 1.08 0.19 0.40 -1.29 0.00 0.00 177.43 177.86 1ies h ILE 151 N 0.44 1.22 -0.87 2.81 2.04 -0.30 -2.36 117.51 120.50 1ies h ILE 151 Ca 0.04 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1ies h ILE 151 Cb 0.87 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1ies h ILE 151 CO 0.07 0.26 0.57 1.56 0.00 0.00 0.00 178.15 180.61 1ies h GLN 152 N 0.67 1.07 -0.08 2.37 4.20 -0.12 -0.23 115.11 123.00 1ies h GLN 152 Ca 0.17 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 1ies h GLN 152 Cb 0.22 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1ies h GLN 152 CO -0.01 0.71 -0.57 0.07 -0.67 0.00 0.00 178.83 178.36 1ies h ARG 153 N 1.10 0.24 -0.04 1.46 0.11 -0.90 -2.77 114.38 113.58 1ies h ARG 153 Ca 0.34 -0.16 -0.04 0.00 0.10 0.00 0.00 59.98 60.22 1ies h ARG 153 Cb -0.01 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.09 1ies h ARG 153 CO -0.09 0.75 -0.14 -0.07 0.10 0.00 0.00 179.97 180.52 1ies h LEU 154 N 0.19 0.20 -1.34 0.08 3.38 -0.90 -3.08 115.31 113.84 1ies h LEU 154 Ca -0.00 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 1ies h LEU 154 Cb 1.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1ies h LEU 154 CO 0.09 0.78 -0.33 0.58 0.09 0.00 0.00 178.44 179.65 1ies h VAL 155 N -0.37 1.13 0.62 1.22 2.07 -1.13 -2.43 116.25 117.36 1ies h VAL 155 Ca -0.00 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1ies h VAL 155 Cb 0.76 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1ies h VAL 155 CO 0.03 0.32 -0.30 1.23 0.02 0.00 0.00 177.57 178.87 1ies h GLY 156 N 1.13 -0.87 0.00 2.17 0.00 -1.53 -2.52 103.07 101.45 1ies h GLY 156 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1ies h GLY 156 CO 0.04 -0.32 0.00 1.44 0.00 0.00 0.00 176.54 177.71 1ies n SER 157 N -5.43 0.00 -3.41 0.19 7.64 -1.05 -4.64 113.62 106.92 1ies n SER 157 Ca -0.13 0.98 -0.18 0.00 1.01 0.00 0.00 58.87 60.54 1ies n SER 157 Cb 0.35 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 1ies n SER 157 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ies s GLN 158 N -2.91 0.36 0.24 1.43 -1.52 -0.94 -5.08 119.66 111.24 1ies s GLN 158 Ca 0.00 -0.30 -0.15 0.00 -1.95 0.00 0.00 55.36 52.95 1ies s GLN 158 Cb 0.00 -0.72 0.29 0.00 -0.22 0.00 0.00 33.01 32.36 1ies s GLN 158 CO 0.00 -1.06 1.55 0.00 -0.25 0.00 0.00 175.29 175.54 1ies h ALA 159 N 8.07 0.27 -0.10 6.09 0.00 -1.62 0.37 119.26 132.35 1ies h ALA 159 Ca -0.11 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ies h ALA 159 Cb 1.06 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1ies h ALA 159 CO 0.32 -0.57 -0.06 0.78 0.00 0.00 0.00 179.25 179.73 1ies h GLY 160 N -0.00 0.24 0.96 0.00 0.00 -1.93 -0.61 103.07 101.72 1ies h GLY 160 Ca 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1ies h GLY 160 CO -0.99 0.20 0.19 -2.00 0.00 0.00 0.00 176.54 173.94 1ies h LEU 161 N -0.15 0.43 -0.17 3.11 5.85 -1.92 -1.87 115.31 120.58 1ies h LEU 161 Ca 0.02 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ies h LEU 161 Cb 0.53 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ies h LEU 161 CO 0.02 0.40 0.02 1.23 -0.34 0.00 0.00 178.44 179.77 1ies h GLY 162 N 0.43 0.18 1.01 3.75 0.00 -0.20 -0.36 103.07 107.89 1ies h GLY 162 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ies h GLY 162 CO -0.02 -0.01 0.50 0.83 0.00 0.00 0.00 176.54 177.85 1ies h GLU 163 N 0.09 1.05 0.07 4.80 5.08 -1.01 -1.80 114.58 122.86 1ies h GLU 163 Ca 0.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ies h GLU 163 Cb 0.08 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1ies h GLU 163 CO -0.11 0.72 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.66 1ies h TYR 164 N 1.07 -0.08 -0.34 4.33 3.20 -0.97 -2.81 116.97 121.37 1ies h TYR 164 Ca 0.29 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 1ies h TYR 164 Cb -0.09 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1ies h TYR 164 CO -0.01 0.03 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.45 1ies h LEU 165 N -0.18 0.51 -0.09 2.82 3.38 -0.92 0.54 115.31 121.36 1ies h LEU 165 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ies h LEU 165 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ies h LEU 165 CO 0.02 0.59 0.02 0.15 0.09 0.00 0.00 178.44 179.30 1ies h PHE 166 N 0.51 0.14 -0.36 1.13 3.57 -1.32 0.62 116.94 121.24 1ies h PHE 166 Ca 0.11 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ies h PHE 166 Cb 0.35 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1ies h PHE 166 CO 0.01 0.32 0.20 1.49 -2.23 0.00 0.00 178.31 178.10 1ies h GLU 167 N -0.07 0.49 0.08 1.11 4.22 -1.30 0.24 114.58 119.35 1ies h GLU 167 Ca 0.03 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1ies h GLU 167 Cb 0.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ies h GLU 167 CO 0.00 0.40 -0.04 0.00 -2.18 0.00 0.00 179.01 177.19 1ies h ARG 168 N 0.45 -0.11 0.00 1.92 -0.00 -0.72 0.69 114.38 116.61 1ies h ARG 168 Ca 0.13 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.61 1ies h ARG 168 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1ies h ARG 168 CO -0.02 0.12 -1.22 1.28 0.00 0.00 0.00 179.97 180.14 1ies n LEU 169 N -5.04 0.66 -0.06 3.04 4.77 0.21 -3.53 117.00 117.06 1ies n LEU 169 Ca -0.08 -0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 55.42 1ies n LEU 169 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1ies n LEU 169 CO 0.33 0.16 -0.85 0.41 -1.33 0.00 0.00 177.39 176.11 1ies n THR 170 N -1.68 0.75 0.05 -5.08 -1.04 0.75 -4.23 114.28 103.80 1ies n THR 170 Ca 0.02 -0.12 -0.10 0.00 -2.04 0.00 0.00 64.05 61.81 1ies n THR 170 Cb 0.37 -1.69 -0.13 0.00 -1.82 0.00 0.00 70.33 67.06 1ies n THR 170 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ies h LEU 171 N -0.44 0.12 -2.00 -4.42 4.07 -1.23 -2.46 115.31 108.94 1ies h LEU 171 Ca -0.28 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1ies h LEU 171 Cb 1.18 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1ies h LEU 171 CO -0.17 1.11 0.00 1.17 -1.08 0.00 0.00 178.44 179.48 1ies n LYS 172 N -3.34 2.56 -1.12 1.13 4.81 0.24 -4.50 118.16 117.93 1ies n LYS 172 Ca -0.06 -1.72 -0.02 0.00 -0.87 0.00 0.00 58.31 55.64 1ies n LYS 172 Cb 0.98 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 34.41 1ies n LYS 172 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ies n HIS 173 N 0.64 0.00 -1.96 5.64 8.25 -1.20 -4.92 115.22 121.67 1ies n HIS 173 Ca 0.16 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1ies n HIS 173 Cb 0.55 0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1ies n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51