#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 1.21 0.62 4.04 1.04 -1.26 -5.03 113.70 114.32 1ies s SER 2 Ca 0.00 -0.23 0.22 0.00 0.48 0.00 0.00 55.95 56.42 1ies s SER 2 Cb 0.00 -0.12 0.93 0.00 0.10 0.00 0.00 66.02 66.93 1ies s SER 2 CO 0.00 0.10 1.43 0.06 0.98 0.00 0.00 173.24 175.81 1ies h GLN 3 N 5.72 0.00 0.00 4.02 3.07 -2.01 -1.17 115.11 124.74 1ies h GLN 3 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.42 1ies h GLN 3 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1ies h GLN 3 CO 0.48 0.00 -1.59 0.44 0.09 0.00 0.00 178.83 178.26 1ies n ILE 4 N -3.16 0.03 -1.98 1.86 -5.35 -1.26 -4.97 119.36 104.53 1ies n ILE 4 Ca 0.13 -0.33 -0.42 0.00 -0.27 0.00 0.00 62.75 61.86 1ies n ILE 4 Cb 1.14 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 39.31 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 -3.33 4.24 -0.29 6.28 3.52 -0.45 -4.85 118.95 124.07 1ies s ARG 5 Ca -0.02 2.30 -0.13 0.00 -0.13 0.00 0.00 55.73 57.76 1ies s ARG 5 Cb 0.15 -3.17 0.11 0.00 -1.56 0.00 0.00 34.95 30.48 1ies s ARG 5 CO 0.89 -0.56 0.70 -1.14 -0.81 0.00 0.00 175.30 174.38 1ies s GLN 6 N 1.00 0.60 -1.47 5.12 0.74 -1.26 -4.89 119.66 119.50 1ies s GLN 6 Ca 0.68 1.29 -0.07 0.00 0.05 0.00 0.00 55.36 57.31 1ies s GLN 6 Cb -0.42 0.53 0.03 0.00 1.10 0.00 0.00 33.01 34.25 1ies s GLN 6 CO 0.32 -0.17 0.68 -1.71 -0.55 0.00 0.00 175.29 173.86 1ies n ASN 7 N 4.90 -5.45 -4.18 6.67 5.15 -1.26 -5.00 115.26 116.10 1ies n ASN 7 Ca -0.15 -0.38 -0.34 0.00 -0.60 0.00 0.00 54.58 53.10 1ies n ASN 7 Cb 0.53 -4.40 -0.15 0.00 -0.53 0.00 0.00 39.78 35.24 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 -3.14 2.99 0.52 1.20 5.04 -1.26 -4.78 117.35 117.91 1ies s TYR 8 Ca 0.39 -1.55 0.02 0.00 -2.44 0.00 0.00 57.07 53.49 1ies s TYR 8 Cb -0.19 -2.02 0.03 0.00 0.35 0.00 0.00 41.96 40.13 1ies s TYR 8 CO 0.49 -0.74 0.74 -1.54 -1.34 0.00 0.00 175.55 173.16 1ies s SER 9 N 1.32 5.40 0.09 4.32 1.04 -1.26 -4.95 113.70 119.66 1ies s SER 9 Ca 0.02 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.30 1ies s SER 9 Cb -0.16 -0.96 -0.16 0.00 0.10 0.00 0.00 66.02 64.85 1ies s SER 9 CO -0.07 -1.04 1.29 0.71 0.98 0.00 0.00 173.24 175.12 1ies h THR 10 N 0.18 1.29 -0.55 2.02 1.35 -1.99 -0.93 112.91 114.28 1ies h THR 10 Ca -0.43 -1.93 0.11 0.00 -0.55 0.00 0.00 66.41 63.61 1ies h THR 10 Cb 1.29 2.00 -0.09 0.00 -1.73 0.00 0.00 68.15 69.62 1ies h THR 10 CO 0.52 0.61 -0.00 -0.33 -0.25 0.00 0.00 175.52 176.07 1ies h GLU 11 N 0.47 0.11 0.02 4.72 3.07 -1.99 0.90 114.58 121.90 1ies h GLU 11 Ca -0.05 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.55 1ies h GLU 11 Cb 1.36 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 29.26 1ies h GLU 11 CO 0.15 0.07 -1.05 0.28 -1.40 0.00 0.00 179.01 177.06 1ies h VAL 12 N 0.12 1.33 -0.59 3.13 2.07 -1.94 -1.03 116.25 119.34 1ies h VAL 12 Ca 0.28 -2.38 0.02 0.00 0.82 0.00 0.00 66.70 65.44 1ies h VAL 12 Cb 0.44 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1ies h VAL 12 CO -0.47 0.72 0.37 -0.08 0.02 0.00 0.00 177.57 178.14 1ies h GLU 13 N 0.31 0.73 -0.56 1.57 4.81 -0.39 0.51 114.58 121.57 1ies h GLU 13 Ca -0.12 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1ies h GLU 13 Cb 1.71 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.90 1ies h GLU 13 CO 0.20 0.48 -0.02 0.00 -0.73 0.00 0.00 179.01 178.94 1ies h ALA 14 N 1.24 0.89 -0.45 2.92 0.00 -0.80 -2.33 119.26 120.73 1ies h ALA 14 Ca 0.23 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1ies h ALA 14 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ies h ALA 14 CO -0.08 0.65 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1ies h ALA 15 N 1.06 0.63 -0.41 0.00 0.00 -0.63 -2.80 119.26 117.11 1ies h ALA 15 Ca 0.16 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ies h ALA 15 Cb 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ies h ALA 15 CO 0.03 0.60 0.25 0.28 0.00 0.00 0.00 179.25 180.41 1ies h VAL 16 N 0.76 1.06 -0.65 0.00 2.07 -0.79 -1.57 116.25 117.14 1ies h VAL 16 Ca 0.10 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1ies h VAL 16 Cb 0.77 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ies h VAL 16 CO 0.06 0.09 0.43 0.78 0.02 0.00 0.00 177.57 178.96 1ies h ASN 17 N 0.51 0.58 0.95 0.57 2.35 -1.36 0.18 115.58 119.37 1ies h ASN 17 Ca 0.16 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.70 1ies h ASN 17 Cb -0.02 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1ies h ASN 17 CO -0.06 0.38 -0.99 -0.09 -1.65 0.00 0.00 177.43 175.02 1ies h ARG 18 N 0.67 0.02 -0.11 0.81 2.43 -1.27 -2.99 114.38 113.93 1ies h ARG 18 Ca 0.28 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1ies h ARG 18 Cb 0.25 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1ies h ARG 18 CO -0.09 0.99 -0.52 1.25 -1.51 0.00 0.00 179.97 180.10 1ies h LEU 19 N 0.01 0.34 -1.08 3.80 5.85 -0.22 -1.27 115.31 122.74 1ies h LEU 19 Ca -0.02 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1ies h LEU 19 Cb 1.74 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 1ies h LEU 19 CO 0.13 0.80 0.62 0.58 -0.34 0.00 0.00 178.44 180.23 1ies h VAL 20 N 0.24 1.16 -0.15 1.05 2.07 -0.67 -0.90 116.25 119.06 1ies h VAL 20 Ca 0.01 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1ies h VAL 20 Cb 0.99 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1ies h VAL 20 CO 0.08 0.22 -0.04 -1.13 0.02 0.00 0.00 177.57 176.72 1ies h ASN 21 N 1.19 0.30 -0.62 0.57 -0.73 -1.20 -1.78 115.58 113.32 1ies h ASN 21 Ca 0.38 -0.37 0.08 0.00 1.87 0.00 0.00 56.30 58.25 1ies h ASN 21 Cb 0.01 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 38.45 1ies h ASN 21 CO -0.11 0.61 0.28 -0.07 -0.37 0.00 0.00 177.43 177.77 1ies h LEU 22 N -0.01 0.36 -0.34 0.34 4.07 -0.94 0.77 115.31 119.56 1ies h LEU 22 Ca 0.04 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1ies h LEU 22 Cb 0.48 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1ies h LEU 22 CO 0.02 0.22 0.15 1.88 -1.08 0.00 0.00 178.44 179.62 1ies h TYR 23 N 0.51 0.51 -0.59 1.13 -1.99 -1.06 0.18 116.97 115.66 1ies h TYR 23 Ca 0.30 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.98 1ies h TYR 23 Cb 0.30 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 1ies h TYR 23 CO -0.13 0.47 0.30 -0.07 -0.00 0.00 0.00 178.16 178.73 1ies h LEU 24 N 0.41 0.76 -0.66 3.88 4.07 -0.90 0.04 115.31 122.90 1ies h LEU 24 Ca 0.11 -0.11 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1ies h LEU 24 Cb 0.16 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1ies h LEU 24 CO -0.01 0.66 -0.22 -0.09 -1.08 0.00 0.00 178.44 177.70 1ies h ARG 25 N 0.81 0.81 -0.79 1.13 2.43 -0.63 -0.50 114.38 117.64 1ies h ARG 25 Ca 0.21 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1ies h ARG 25 Cb 0.08 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1ies h ARG 25 CO -0.03 0.95 0.51 0.00 -1.51 0.00 0.00 179.97 179.89 1ies h ALA 26 N 1.05 1.00 -0.21 2.80 0.00 0.01 -0.18 119.26 123.72 1ies h ALA 26 Ca 0.10 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ies h ALA 26 Cb 0.74 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1ies h ALA 26 CO 0.06 0.43 -0.16 1.03 0.00 0.00 0.00 179.25 180.61 1ies h SER 27 N 1.07 -0.53 -0.75 0.00 0.87 -0.50 0.20 113.55 113.92 1ies h SER 27 Ca 0.29 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1ies h SER 27 Cb -0.10 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1ies h SER 27 CO -0.06 -0.20 0.43 0.22 -0.53 0.00 0.00 176.83 176.68 1ies h TYR 28 N -0.17 1.01 0.06 2.24 3.20 -0.75 -1.22 116.97 121.34 1ies h TYR 28 Ca 0.12 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1ies h TYR 28 Cb 0.35 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1ies h TYR 28 CO -0.31 0.70 -0.11 1.15 -1.64 0.00 0.00 178.16 177.94 1ies h THR 29 N 1.03 0.74 -0.41 1.81 2.02 -0.32 -2.21 112.91 115.57 1ies h THR 29 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 1ies h THR 29 Cb 0.01 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1ies h THR 29 CO -0.05 0.00 0.16 1.88 0.37 0.00 0.00 175.52 177.89 1ies h TYR 30 N -0.21 0.57 -0.47 3.16 0.05 -0.75 -1.23 116.97 118.09 1ies h TYR 30 Ca 0.02 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.86 1ies h TYR 30 Cb 0.23 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 37.73 1ies h TYR 30 CO -0.14 0.45 0.11 1.25 -1.05 0.00 0.00 178.16 178.78 1ies h LEU 31 N 0.57 0.04 -0.36 3.88 5.85 -0.91 0.56 115.31 124.94 1ies h LEU 31 Ca 0.14 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1ies h LEU 31 Cb 0.12 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1ies h LEU 31 CO -0.01 0.05 0.18 -1.28 -0.34 0.00 0.00 178.44 177.04 1ies h SER 32 N 0.26 0.46 -0.31 1.25 0.87 -0.72 -1.66 113.55 113.69 1ies h SER 32 Ca 0.23 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1ies h SER 32 Cb 0.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1ies h SER 32 CO -0.29 0.44 0.18 -0.07 -0.53 0.00 0.00 176.83 176.56 1ies h LEU 33 N 0.45 0.29 -0.08 2.23 3.38 -0.88 -2.11 115.31 118.58 1ies h LEU 33 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ies h LEU 33 Cb 0.09 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ies h LEU 33 CO -0.02 0.21 0.04 1.23 0.09 0.00 0.00 178.44 179.99 1ies h GLY 34 N 0.37 0.11 2.00 0.83 0.00 -0.80 -2.27 103.07 103.31 1ies h GLY 34 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ies h GLY 34 CO -0.06 0.05 0.00 0.69 0.00 0.00 0.00 176.54 177.22 1ies n PHE 35 N -4.99 0.80 -0.03 5.60 3.72 -0.63 -2.78 117.46 119.15 1ies n PHE 35 Ca -0.06 0.30 -0.15 0.00 -0.05 0.00 0.00 57.45 57.50 1ies n PHE 35 Cb 0.07 -0.99 -0.09 0.00 -0.94 0.00 0.00 39.48 37.53 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 0.42 0.00 1.38 3.20 -0.79 -3.09 116.97 118.10 1ies h TYR 36 Ca 0.00 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.69 1ies h TYR 36 Cb 0.42 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1ies h TYR 36 CO 0.00 0.90 0.00 1.19 -1.64 0.00 0.00 178.16 178.61 1ies n PHE 37 N -4.46 0.00 1.08 -3.82 3.72 -1.07 -1.40 117.46 111.51 1ies n PHE 37 Ca -0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 1ies n PHE 37 Cb 0.47 -0.08 0.12 0.00 -0.94 0.00 0.00 39.48 39.05 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 -1.08 1.39 -4.77 4.37 2.03 -1.17 -1.60 116.55 115.72 1ies n ASP 38 Ca 0.10 -1.11 -0.40 0.00 0.52 0.00 0.00 54.79 53.91 1ies n ASP 38 Cb 0.07 0.44 -0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -2.63 3.94 0.62 -0.67 0.52 -0.49 -4.69 118.95 115.56 1ies s ARG 39 Ca 0.18 2.24 0.39 0.00 -0.52 0.00 0.00 55.73 58.02 1ies s ARG 39 Cb 0.18 -2.77 2.12 0.00 0.52 0.00 0.00 34.95 35.00 1ies s ARG 39 CO 0.62 -0.54 2.19 0.38 0.02 0.00 0.00 175.30 177.97 1ies h ASP 40 N 2.67 0.00 -0.54 0.23 2.03 -1.92 0.22 116.42 119.11 1ies h ASP 40 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1ies h ASP 40 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1ies h ASP 40 CO 0.63 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.94 1ies n ASP 41 N -2.93 4.66 0.03 4.15 5.75 -1.26 -4.31 116.55 122.63 1ies n ASP 41 Ca -0.03 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 1ies n ASP 41 Cb 0.13 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 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 0.70 0.29 -3.77 2.12 0.31 0.01 -5.09 118.33 112.91 1ies n VAL 42 Ca 0.24 0.10 -0.29 0.00 -0.01 0.00 0.00 64.34 64.38 1ies n VAL 42 Cb 0.91 -1.21 0.02 0.00 -0.91 0.00 0.00 33.84 32.66 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 -3.07 -2.36 -3.84 3.52 0.00 0.58 -4.97 120.51 110.37 1ies n ALA 43 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1ies n ALA 43 Cb 0.23 -3.17 -0.13 0.00 0.00 0.00 0.00 19.45 16.38 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 -6.65 3.78 0.24 0.00 2.01 -0.63 -4.98 118.68 112.45 1ies s LEU 44 Ca 0.30 -3.09 -0.07 0.00 0.01 0.00 0.00 54.13 51.29 1ies s LEU 44 Cb -0.11 -1.39 0.23 0.00 0.01 0.00 0.00 46.19 44.93 1ies s LEU 44 CO 0.87 -0.21 1.89 -0.08 1.01 0.00 0.00 176.35 179.83 1ies h GLU 45 N 6.27 1.28 -0.19 1.70 4.81 -1.94 -1.10 114.58 125.41 1ies h GLU 45 Ca 0.01 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1ies h GLU 45 Cb 0.87 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1ies h GLU 45 CO 0.62 0.89 -0.20 0.78 -0.73 0.00 0.00 179.01 180.37 1ies h GLY 46 N 1.30 0.36 0.83 1.92 0.00 -1.90 0.17 103.07 105.75 1ies h GLY 46 Ca 0.34 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1ies h GLY 46 CO -0.06 0.24 -0.53 -2.08 0.00 0.00 0.00 176.54 174.10 1ies h VAL 47 N 0.31 1.39 -0.39 4.60 2.07 -1.66 -0.52 116.25 122.05 1ies h VAL 47 Ca 0.05 -1.92 0.05 0.00 0.82 0.00 0.00 66.70 65.70 1ies h VAL 47 Cb 0.53 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1ies h VAL 47 CO 0.04 0.57 0.13 0.00 0.02 0.00 0.00 177.57 178.32 1ies h HIS 49 N 0.28 -0.30 -0.23 0.00 6.17 -0.49 -0.78 115.15 119.80 1ies h HIS 49 Ca 0.18 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.34 1ies h HIS 49 Cb 0.17 0.16 -0.06 0.00 2.52 0.00 0.00 27.41 30.20 1ies h HIS 49 CO -0.15 -0.19 -0.19 0.35 0.71 0.00 0.00 177.93 178.46 1ies h PHE 50 N -0.11 -0.49 -0.16 5.26 3.57 -0.15 -1.49 116.94 123.37 1ies h PHE 50 Ca 0.11 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 1ies h PHE 50 Cb 0.28 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1ies h PHE 50 CO -0.28 -0.27 -0.59 0.74 -2.23 0.00 0.00 178.31 175.69 1ies h PHE 51 N -0.19 0.66 -0.57 0.41 0.04 -1.03 -2.65 116.94 113.62 1ies h PHE 51 Ca 0.13 -0.25 0.01 0.00 2.80 0.00 0.00 57.97 60.66 1ies h PHE 51 Cb 0.39 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 1ies h PHE 51 CO -0.35 0.98 0.37 0.00 -0.60 0.00 0.00 178.31 178.72 1ies h ARG 52 N 0.39 0.74 -0.92 1.51 2.47 -0.72 -0.69 114.38 117.17 1ies h ARG 52 Ca -0.00 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1ies h ARG 52 Cb 1.14 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 29.25 1ies h ARG 52 CO 0.11 0.49 0.61 0.93 0.56 0.00 0.00 179.97 182.67 1ies h GLU 53 N 0.76 1.20 -0.49 0.04 5.08 -1.16 -1.99 114.58 118.02 1ies h GLU 53 Ca 0.21 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1ies h GLU 53 Cb -0.08 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.88 1ies h GLU 53 CO -0.05 0.79 0.04 -0.07 -1.00 0.00 0.00 179.01 178.72 1ies h LEU 54 N 1.24 0.75 -0.24 1.33 3.38 -1.04 -0.98 115.31 119.74 1ies h LEU 54 Ca 0.34 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1ies h LEU 54 Cb -0.13 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1ies h LEU 54 CO -0.08 0.79 -0.06 0.00 0.09 0.00 0.00 178.44 179.19 1ies h ALA 55 N 1.30 0.16 -0.21 1.53 0.00 -0.43 -0.12 119.26 121.48 1ies h ALA 55 Ca 0.15 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ies h ALA 55 Cb 0.40 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ies h ALA 55 CO 0.01 -0.47 0.11 1.49 0.00 0.00 0.00 179.25 180.40 1ies h GLU 56 N 0.00 0.23 -0.74 0.00 4.81 -0.96 -1.74 114.58 116.19 1ies h GLU 56 Ca 0.12 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1ies h GLU 56 Cb 0.18 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 1ies h GLU 56 CO -0.25 0.15 0.43 0.93 -0.73 0.00 0.00 179.01 179.55 1ies h GLU 57 N 0.24 0.77 -0.15 1.92 5.08 -0.78 -0.79 114.58 120.87 1ies h GLU 57 Ca 0.09 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1ies h GLU 57 Cb 0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1ies h GLU 57 CO -0.05 0.51 -0.56 0.87 -1.00 0.00 0.00 179.01 178.78 1ies h LYS 58 N 0.80 0.46 -0.80 2.33 1.79 -0.49 -0.95 116.57 119.70 1ies h LYS 58 Ca 0.32 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1ies h LYS 58 Cb 0.17 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1ies h LYS 58 CO -0.17 0.90 0.43 -0.09 -1.08 0.00 0.00 179.45 179.44 1ies h ARG 59 N 0.35 1.13 -0.37 3.15 2.43 -0.89 -1.34 114.38 118.84 1ies h ARG 59 Ca 0.00 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1ies h ARG 59 Cb 1.09 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1ies h ARG 59 CO 0.10 0.84 -0.21 0.93 -1.51 0.00 0.00 179.97 180.12 1ies h GLU 60 N 1.12 0.72 -0.65 0.20 5.08 -0.94 -1.91 114.58 118.20 1ies h GLU 60 Ca 0.28 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1ies h GLU 60 Cb 0.05 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1ies h GLU 60 CO -0.04 0.88 0.38 0.78 -1.00 0.00 0.00 179.01 180.01 1ies h GLY 61 N 0.98 0.95 1.00 -3.84 0.00 -0.44 -0.88 103.07 100.83 1ies h GLY 61 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1ies h GLY 61 CO 0.05 0.20 0.31 0.00 0.00 0.00 0.00 176.54 177.10 1ies h ALA 62 N 1.31 0.80 -0.40 3.60 0.00 -1.13 -2.13 119.26 121.32 1ies h ALA 62 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ies h ALA 62 Cb 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ies h ALA 62 CO -0.14 0.36 -0.04 0.93 0.00 0.00 0.00 179.25 180.36 1ies h GLU 63 N 0.85 0.65 -0.31 0.00 5.08 -0.75 -1.37 114.58 118.73 1ies h GLU 63 Ca 0.21 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ies h GLU 63 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ies h GLU 63 CO -0.03 0.70 0.15 -0.09 -1.00 0.00 0.00 179.01 178.74 1ies h ARG 64 N 0.61 0.45 -0.57 2.33 2.43 -0.94 0.28 114.38 118.97 1ies h ARG 64 Ca 0.12 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1ies h ARG 64 Cb 0.44 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1ies h ARG 64 CO 0.02 0.42 0.37 -0.07 -1.51 0.00 0.00 179.97 179.20 1ies h LEU 65 N 0.37 0.63 -0.67 3.80 3.38 -1.21 -2.34 115.31 119.28 1ies h LEU 65 Ca 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ies h LEU 65 Cb 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1ies h LEU 65 CO -0.01 0.45 0.40 -0.07 0.09 0.00 0.00 178.44 179.30 1ies h LEU 66 N 0.75 0.80 -0.83 1.67 4.07 -0.95 -0.71 115.31 120.12 1ies h LEU 66 Ca 0.21 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 1ies h LEU 66 Cb -0.06 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 1ies h LEU 66 CO -0.06 0.63 0.13 0.50 -1.08 0.00 0.00 178.44 178.56 1ies h LYS 67 N 0.90 1.01 -0.43 1.13 3.64 -0.78 -2.81 116.57 119.24 1ies h LYS 67 Ca 0.24 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1ies h LYS 67 Cb -0.03 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1ies h LYS 67 CO -0.04 0.91 0.10 1.98 -2.27 0.00 0.00 179.45 180.13 1ies h MET 68 N 0.96 0.68 -0.47 1.90 4.05 -0.90 -1.56 114.93 119.59 1ies h MET 68 Ca 0.20 -0.17 0.10 0.00 -0.28 0.00 0.00 59.70 59.55 1ies h MET 68 Cb 0.37 -0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 30.99 1ies h MET 68 CO 0.00 0.69 -0.23 0.37 0.23 0.00 0.00 176.91 177.98 1ies h GLN 69 N 0.55 -0.12 -0.19 0.39 5.75 -0.96 0.17 115.11 120.69 1ies h GLN 69 Ca 0.13 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1ies h GLN 69 Cb 0.32 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1ies h GLN 69 CO 0.00 -0.08 -0.18 -0.91 -2.65 0.00 0.00 178.83 175.01 1ies h ASN 70 N -0.13 0.32 0.17 -0.69 2.35 -1.41 0.54 115.58 116.74 1ies h ASN 70 Ca 0.22 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1ies h ASN 70 Cb 0.47 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1ies h ASN 70 CO -0.55 0.52 -0.49 1.56 -1.65 0.00 0.00 177.43 176.82 1ies h GLN 71 N 0.31 0.37 0.00 0.81 4.20 0.28 -3.19 115.11 117.88 1ies h GLN 71 Ca 0.06 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1ies h GLN 71 Cb 0.50 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1ies h GLN 71 CO 0.03 0.78 0.00 0.00 -0.67 0.00 0.00 178.83 178.97 1ies h ARG 72 N 0.29 0.00 0.00 1.46 2.47 -0.69 -3.48 114.38 114.43 1ies h ARG 72 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1ies h ARG 72 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 1ies h ARG 72 CO 0.08 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.02 1ies n GLY 73 N 1.17 0.91 3.92 0.04 0.00 -0.94 -4.00 105.19 106.28 1ies n GLY 73 Ca 0.05 0.00 -0.28 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 -1.06 1.68 -0.10 -0.02 0.00 0.14 -4.71 107.32 103.26 1ies s GLY 74 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1ies s GLY 74 CO 0.00 -0.39 -0.14 -1.60 0.00 0.00 0.00 173.10 170.97 1ies s ARG 75 N -5.57 2.08 0.14 2.90 6.06 -1.26 -4.19 118.95 119.11 1ies s ARG 75 Ca 0.66 -0.51 -0.30 0.00 -2.50 0.00 0.00 55.73 53.07 1ies s ARG 75 Cb -0.08 -1.79 -0.07 0.00 0.06 0.00 0.00 34.95 33.07 1ies s ARG 75 CO 0.49 -0.07 1.14 0.00 -2.50 0.00 0.00 175.30 174.36 1ies s ALA 76 N 1.00 3.38 -0.02 6.12 0.00 -1.26 -4.97 121.76 126.02 1ies s ALA 76 Ca -0.07 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1ies s ALA 76 Cb -0.15 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 1ies s ALA 76 CO -0.01 -0.29 -0.10 -0.51 0.00 0.00 0.00 175.76 174.85 1ies s LEU 77 N 0.06 1.91 -0.08 0.00 1.43 -1.26 -5.13 118.68 115.60 1ies s LEU 77 Ca 0.52 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 1ies s LEU 77 Cb -0.30 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 1ies s LEU 77 CO 0.34 0.10 -0.15 -0.36 0.23 0.00 0.00 176.35 176.50 1ies s PHE 78 N -0.03 2.71 0.45 0.29 0.08 -1.26 -4.84 117.98 115.37 1ies s PHE 78 Ca 0.01 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 56.69 1ies s PHE 78 Cb -0.06 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1ies s PHE 78 CO 0.00 -0.02 0.14 -0.65 -0.10 0.00 0.00 175.22 174.58 1ies s GLN 79 N -0.23 2.16 0.75 0.44 -0.21 -1.26 -5.11 119.66 116.20 1ies s GLN 79 Ca 0.01 -2.04 -0.14 0.00 0.02 0.00 0.00 55.36 53.21 1ies s GLN 79 Cb -0.13 -1.83 0.05 0.00 1.00 0.00 0.00 33.01 32.10 1ies s GLN 79 CO 0.03 -0.22 1.16 -0.51 -2.12 0.00 0.00 175.29 173.64 1ies s ASP 80 N -3.91 4.21 -0.33 5.90 1.01 -1.26 -5.00 116.67 117.30 1ies s ASP 80 Ca 0.31 2.20 -0.08 0.00 0.71 0.00 0.00 52.55 55.70 1ies s ASP 80 Cb 0.04 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.42 1ies s ASP 80 CO 0.17 -2.24 0.12 -0.76 0.21 0.00 0.00 175.17 172.67 1ies s LEU 81 N -5.41 4.21 0.31 1.23 1.02 -1.26 -5.08 118.68 113.71 1ies s LEU 81 Ca 0.70 -0.89 -0.29 0.00 0.02 0.00 0.00 54.13 53.67 1ies s LEU 81 Cb -0.25 -1.92 -0.10 0.00 0.02 0.00 0.00 46.19 43.94 1ies s LEU 81 CO 0.48 -0.28 1.22 -1.10 0.02 0.00 0.00 176.35 176.69 1ies s GLN 82 N 1.49 4.47 0.86 1.70 -0.21 -1.26 -4.99 119.66 121.72 1ies s GLN 82 Ca 0.01 2.05 -0.11 0.00 0.02 0.00 0.00 55.36 57.34 1ies s GLN 82 Cb -0.18 -3.12 0.11 0.00 1.00 0.00 0.00 33.01 30.82 1ies s GLN 82 CO 0.04 -0.03 1.15 -1.59 -2.12 0.00 0.00 175.29 172.74 1ies s LYS 83 N -1.65 1.41 0.55 2.91 -2.85 -1.26 -4.94 119.74 113.91 1ies s LYS 83 Ca 0.47 1.53 -0.21 0.00 -1.00 0.00 0.00 55.97 56.76 1ies s LYS 83 Cb -0.37 -1.77 -0.05 0.00 -2.06 0.00 0.00 37.83 33.58 1ies s LYS 83 CO 0.48 -2.34 1.26 -2.30 0.10 0.00 0.00 175.35 172.55 1ies n PRO 84 N -3.86 1.48 -0.21 1.78 -0.02 -1.26 -4.89 135.00 128.01 1ies n PRO 84 Ca 0.12 0.55 0.15 0.00 -2.02 0.00 0.00 63.50 62.30 1ies n PRO 84 Cb 0.52 -2.46 0.47 0.00 -0.02 0.00 0.00 33.50 32.02 1ies n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ies h SER 85 N 1.21 0.47 -3.46 2.55 4.64 -1.98 -3.43 113.55 113.55 1ies h SER 85 Ca -0.50 0.03 -0.47 0.00 -0.47 0.00 0.00 61.79 60.39 1ies h SER 85 Cb 1.32 -0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 63.19 1ies h SER 85 CO 0.56 0.23 -0.75 -1.10 -0.87 0.00 0.00 176.83 174.89 1ies s GLN 86 N -5.49 1.26 -0.09 4.77 -0.21 -1.26 -5.05 119.66 113.59 1ies s GLN 86 Ca -0.09 -1.47 0.18 0.00 0.02 0.00 0.00 55.36 54.00 1ies s GLN 86 Cb 0.22 -1.15 -0.26 0.00 1.00 0.00 0.00 33.01 32.82 1ies s GLN 86 CO 0.78 0.21 0.26 -0.25 -2.12 0.00 0.00 175.29 174.17 1ies n ASP 87 N -0.02 0.58 -4.00 5.90 8.00 -1.26 -4.91 116.55 120.84 1ies n ASP 87 Ca -0.11 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.15 1ies n ASP 87 Cb 0.59 1.46 -0.17 0.00 -0.02 0.00 0.00 41.12 42.98 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 -2.93 1.54 0.00 -1.24 2.02 -1.26 -5.02 118.70 111.81 1ies s GLU 88 Ca -0.08 -0.36 0.15 0.00 0.02 0.00 0.00 54.97 54.71 1ies s GLU 88 Cb 0.09 -1.30 0.22 0.00 0.10 0.00 0.00 34.13 33.24 1ies s GLU 88 CO 0.77 0.00 1.11 0.91 0.02 0.00 0.00 175.26 178.07 1ies n TRP 89 N 3.86 0.21 0.00 1.61 7.02 -1.26 -5.07 117.44 123.80 1ies n TRP 89 Ca -0.23 -0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.09 1ies n TRP 89 Cb 0.52 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 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 0.88 1.04 3.80 6.99 0.00 -1.26 -3.65 105.19 112.99 1ies n GLY 90 Ca 0.11 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 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 1.88 0.40 2.61 -4.23 -1.26 -4.93 115.64 110.12 1ies s THR 91 Ca 0.00 -1.67 0.13 0.00 -1.18 0.00 0.00 61.69 58.97 1ies s THR 91 Cb 0.00 -2.55 0.33 0.00 1.34 0.00 0.00 72.50 71.62 1ies s THR 91 CO 0.00 0.00 1.93 0.74 -0.54 0.00 0.00 174.62 176.75 1ies h THR 92 N 1.16 0.86 -0.21 3.99 2.02 -1.98 0.90 112.91 119.65 1ies h THR 92 Ca -0.41 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 1ies h THR 92 Cb 1.28 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1ies h THR 92 CO 0.66 0.09 -0.17 0.25 0.37 0.00 0.00 175.52 176.72 1ies h LEU 93 N 0.52 0.52 -0.47 2.58 5.85 -1.94 0.13 115.31 122.50 1ies h LEU 93 Ca 0.36 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1ies h LEU 93 Cb 0.67 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1ies h LEU 93 CO -0.12 0.87 0.24 0.44 -0.34 0.00 0.00 178.44 179.53 1ies h ASP 94 N 0.18 0.60 -0.49 1.25 3.32 -1.71 -1.22 116.42 118.36 1ies h ASP 94 Ca 0.04 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1ies h ASP 94 Cb 0.71 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1ies h ASP 94 CO 0.05 0.54 0.25 0.00 -1.72 0.00 0.00 179.24 178.35 1ies h ALA 95 N 1.08 0.63 -0.60 3.45 0.00 -0.49 -1.87 119.26 121.47 1ies h ALA 95 Ca 0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ies h ALA 95 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ies h ALA 95 CO -0.02 0.18 0.18 0.52 0.00 0.00 0.00 179.25 180.11 1ies h MET 96 N 0.65 0.94 -0.28 0.00 2.86 -0.50 -1.23 114.93 117.37 1ies h MET 96 Ca 0.17 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1ies h MET 96 Cb 0.10 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1ies h MET 96 CO -0.02 0.84 0.07 0.87 1.06 0.00 0.00 176.91 179.73 1ies h LYS 97 N 0.86 0.18 -0.65 1.72 1.57 -1.07 0.57 116.57 119.75 1ies h LYS 97 Ca 0.19 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1ies h LYS 97 Cb 0.30 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1ies h LYS 97 CO -0.00 0.12 0.42 0.00 -0.57 0.00 0.00 179.45 179.41 1ies h ALA 98 N 1.20 0.83 -0.64 3.86 0.00 -1.16 -2.09 119.26 121.25 1ies h ALA 98 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ies h ALA 98 Cb 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ies h ALA 98 CO -0.16 0.21 0.27 0.00 0.00 0.00 0.00 179.25 179.58 1ies h ALA 99 N 1.25 0.83 -0.12 0.00 0.00 -0.83 -0.60 119.26 119.79 1ies h ALA 99 Ca 0.25 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1ies h ALA 99 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ies h ALA 99 CO -0.07 0.43 -0.50 0.97 0.00 0.00 0.00 179.25 180.08 1ies h ILE 100 N 0.90 1.34 -0.69 0.00 2.10 -0.67 -0.45 117.51 120.04 1ies h ILE 100 Ca 0.22 -1.74 -0.02 0.00 1.08 0.00 0.00 64.86 64.40 1ies h ILE 100 Cb 0.18 1.80 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 1ies h ILE 100 CO -0.02 0.52 0.33 0.58 -1.08 0.00 0.00 178.15 178.49 1ies h VAL 101 N 0.25 1.23 0.24 2.19 2.07 -1.11 -0.06 116.25 121.06 1ies h VAL 101 Ca 0.01 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1ies h VAL 101 Cb 0.97 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1ies h VAL 101 CO 0.08 0.26 -0.11 0.25 0.02 0.00 0.00 177.57 178.07 1ies h LEU 102 N 0.95 -0.27 -1.20 2.57 5.85 -0.43 -1.99 115.31 120.79 1ies h LEU 102 Ca 0.24 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1ies h LEU 102 Cb 0.11 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1ies h LEU 102 CO -0.03 -0.19 0.54 -0.33 -0.34 0.00 0.00 178.44 178.09 1ies h GLU 103 N -0.33 1.06 -0.81 1.25 4.39 -0.92 -1.59 114.58 117.64 1ies h GLU 103 Ca -0.03 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1ies h GLU 103 Cb 0.25 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1ies h GLU 103 CO 0.05 0.70 0.47 0.87 -1.16 0.00 0.00 179.01 179.94 1ies h LYS 104 N 1.09 1.10 -0.02 2.33 6.56 -0.74 0.96 116.57 127.86 1ies h LYS 104 Ca 0.30 -0.11 -0.19 0.00 -1.06 0.00 0.00 60.65 59.59 1ies h LYS 104 Cb -0.11 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.32 1ies h LYS 104 CO -0.07 0.79 -0.83 0.66 -2.06 0.00 0.00 179.45 177.94 1ies h SER 105 N 1.12 0.36 -0.61 0.86 4.64 -0.56 -1.00 113.55 118.36 1ies h SER 105 Ca 0.29 -0.27 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1ies h SER 105 Cb -0.02 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 61.92 1ies h SER 105 CO -0.05 1.04 0.37 -0.07 -0.87 0.00 0.00 176.83 177.24 1ies h LEU 106 N 0.17 0.59 -0.47 5.97 4.07 -0.98 -1.10 115.31 123.56 1ies h LEU 106 Ca -0.04 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 1ies h LEU 106 Cb 1.43 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 1ies h LEU 106 CO 0.13 0.41 0.03 -1.13 -1.08 0.00 0.00 178.44 176.80 1ies h ASN 107 N 0.72 0.79 -0.93 -0.43 -0.00 -0.63 -1.72 115.58 113.38 1ies h ASN 107 Ca 0.25 -0.29 0.02 0.00 -0.00 0.00 0.00 56.30 56.28 1ies h ASN 107 Cb 0.04 -0.21 -0.05 0.00 -0.00 0.00 0.00 38.32 38.10 1ies h ASN 107 CO -0.11 0.89 0.61 -0.61 -0.00 0.00 0.00 177.43 178.21 1ies h GLN 108 N 0.67 1.18 -0.94 6.67 5.75 -0.92 -0.75 115.11 126.77 1ies h GLN 108 Ca 0.14 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1ies h GLN 108 Cb 0.47 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 1ies h GLN 108 CO 0.02 0.78 0.61 0.00 -2.65 0.00 0.00 178.83 177.59 1ies h ALA 109 N 1.44 1.20 -0.30 3.38 0.00 -0.70 0.18 119.26 124.45 1ies h ALA 109 Ca 0.35 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1ies h ALA 109 Cb -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 1ies h ALA 109 CO -0.09 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.70 1ies h LEU 110 N 1.28 0.51 -0.48 0.00 3.38 -0.92 -1.47 115.31 117.62 1ies h LEU 110 Ca 0.34 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ies h LEU 110 Cb -0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1ies h LEU 110 CO -0.07 0.70 0.31 -0.07 0.09 0.00 0.00 178.44 179.39 1ies h LEU 111 N 0.32 0.56 -0.39 1.67 4.07 -0.78 0.47 115.31 121.24 1ies h LEU 111 Ca 0.08 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 1ies h LEU 111 Cb 0.43 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1ies h LEU 111 CO 0.02 0.43 0.07 0.44 -1.08 0.00 0.00 178.44 178.31 1ies h ASP 112 N 0.65 0.61 -0.83 -0.43 3.32 -0.63 -2.39 116.42 116.73 1ies h ASP 112 Ca 0.18 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1ies h ASP 112 Cb -0.05 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1ies h ASP 112 CO -0.04 0.71 0.41 0.25 -1.72 0.00 0.00 179.24 178.85 1ies h LEU 113 N 0.49 1.07 -0.64 1.55 5.85 -0.68 -0.83 115.31 122.11 1ies h LEU 113 Ca 0.12 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.77 1ies h LEU 113 Cb 0.35 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1ies h LEU 113 CO 0.01 0.90 0.35 -0.74 -0.34 0.00 0.00 178.44 178.61 1ies h HIS 114 N 1.17 0.63 -0.86 1.25 2.76 -0.04 -0.11 115.15 119.95 1ies h HIS 114 Ca 0.29 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1ies h HIS 114 Cb 0.10 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.83 1ies h HIS 114 CO 0.01 0.29 0.44 0.00 -1.30 0.00 0.00 177.93 177.37 1ies h ALA 115 N 1.35 1.16 0.05 5.26 0.00 -0.66 -1.95 119.26 124.47 1ies h ALA 115 Ca 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ies h ALA 115 Cb 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ies h ALA 115 CO -0.19 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 180.94 1ies h LEU 116 N 1.21 -0.05 -0.77 0.00 6.46 -0.78 -0.54 115.31 120.83 1ies h LEU 116 Ca 0.30 -0.02 0.13 0.00 -0.12 0.00 0.00 57.88 58.17 1ies h LEU 116 Cb 0.07 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 39.93 1ies h LEU 116 CO -0.04 -0.02 0.37 1.23 -0.62 0.00 0.00 178.44 179.36 1ies h GLY 117 N -0.08 1.20 1.51 3.75 0.00 -0.66 0.13 103.07 108.93 1ies h GLY 117 Ca -0.01 -0.21 -0.22 0.00 0.00 0.00 0.00 47.33 46.89 1ies h GLY 117 CO 0.01 -0.02 -0.90 1.48 0.00 0.00 0.00 176.54 177.12 1ies h SER 118 N 0.57 0.57 -0.59 0.19 4.64 -1.19 0.63 113.55 118.35 1ies h SER 118 Ca 0.41 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1ies h SER 118 Cb 0.54 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1ies h SER 118 CO -0.34 1.22 0.37 0.00 -0.87 0.00 0.00 176.83 177.21 1ies h ALA 119 N 0.75 0.75 0.00 5.18 0.00 -0.19 -2.06 119.26 123.70 1ies h ALA 119 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ies h ALA 119 Cb 1.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ies h ALA 119 CO 0.16 0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.66 1ies n GLN 120 N -4.64 0.25 -3.46 0.00 1.13 0.38 -4.92 117.38 106.13 1ies n GLN 120 Ca 0.04 0.11 -0.18 0.00 -1.94 0.00 0.00 57.00 55.03 1ies n GLN 120 Cb 0.04 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 28.96 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 -1.30 -2.16 -3.60 -1.58 0.00 -0.66 -4.99 120.51 106.22 1ies n ALA 121 Ca 0.09 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 1ies n ALA 121 Cb 0.16 -3.21 -0.07 0.00 0.00 0.00 0.00 19.45 16.32 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 -4.08 5.72 0.38 0.00 -1.08 0.21 -4.95 116.67 112.86 1ies s ASP 122 Ca 0.14 -2.89 0.06 0.00 -0.52 0.00 0.00 52.55 49.34 1ies s ASP 122 Cb -0.02 -1.96 0.75 0.00 -1.46 0.00 0.00 42.92 40.22 1ies s ASP 122 CO 0.76 -0.41 1.96 1.55 0.52 0.00 0.00 175.17 179.55 1ies h PRO 123 N 7.15 0.48 -0.52 4.34 0.13 -1.94 -2.69 132.00 138.93 1ies h PRO 123 Ca 0.03 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 1ies h PRO 123 Cb 0.97 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1ies h PRO 123 CO 0.73 0.44 -0.11 1.25 -0.23 0.00 0.00 178.00 180.08 1ies h HIS 124 N 0.47 1.12 -0.06 1.56 -0.00 -1.97 0.36 115.15 116.64 1ies h HIS 124 Ca 0.11 -0.23 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1ies h HIS 124 Cb 0.17 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1ies h HIS 124 CO 0.01 1.04 0.01 1.25 -0.00 0.00 0.00 177.93 180.24 1ies h LEU 125 N 0.87 0.09 -0.62 0.26 5.85 -1.91 0.58 115.31 120.43 1ies h LEU 125 Ca 0.14 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1ies h LEU 125 Cb 0.67 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 1ies h LEU 125 CO 0.05 0.35 0.30 0.00 -0.34 0.00 0.00 178.44 178.80 1ies h ASP 127 N 0.55 0.02 -0.47 0.00 3.58 -0.60 -1.08 116.42 118.43 1ies h ASP 127 Ca 0.29 -0.08 0.09 0.00 0.42 0.00 0.00 57.03 57.75 1ies h ASP 127 Cb 0.26 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.21 1ies h ASP 127 CO -0.22 0.10 -0.08 0.15 -2.88 0.00 0.00 179.24 176.30 1ies h PHE 128 N -0.05 -0.19 -0.18 0.28 3.57 -0.33 0.20 116.94 120.25 1ies h PHE 128 Ca 0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ies h PHE 128 Cb 0.08 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ies h PHE 128 CO -0.05 -0.18 0.09 -0.07 -2.23 0.00 0.00 178.31 175.88 1ies h LEU 129 N 0.03 0.23 -0.43 0.59 4.07 -0.98 -0.45 115.31 118.36 1ies h LEU 129 Ca 0.23 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1ies h LEU 129 Cb 0.35 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1ies h LEU 129 CO -0.46 0.26 0.24 -0.33 -1.08 0.00 0.00 178.44 177.07 1ies h GLU 130 N 0.18 0.60 -0.41 1.13 5.08 -0.73 -0.74 114.58 119.69 1ies h GLU 130 Ca 0.06 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1ies h GLU 130 Cb 0.09 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1ies h GLU 130 CO -0.01 0.48 -0.18 0.77 -1.00 0.00 0.00 179.01 179.07 1ies h SER 131 N 0.56 0.79 0.00 1.42 0.02 -0.42 -3.36 113.55 112.56 1ies h SER 131 Ca 0.15 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1ies h SER 131 Cb 0.05 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1ies h SER 131 CO -0.02 0.96 -1.09 1.41 -1.14 0.00 0.00 176.83 176.95 1ies n HIS 132 N -4.13 0.00 0.00 3.45 8.25 -0.20 -4.90 115.22 117.69 1ies n HIS 132 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ies n HIS 132 Cb 0.41 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.61 0.00 -0.11 4.41 3.01 -0.42 -4.70 117.46 118.04 1ies n PHE 133 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 1ies n PHE 133 Cb 0.19 0.04 -0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1ies n PHE 133 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ies h LEU 134 N 0.00 0.38 -0.16 4.37 4.07 -1.35 -1.84 115.31 120.79 1ies h LEU 134 Ca 0.00 -0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.73 1ies h LEU 134 Cb 0.84 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.50 1ies h LEU 134 CO 0.00 0.27 -0.87 -0.78 -1.08 0.00 0.00 178.44 175.98 1ies h ASP 135 N 0.46 0.80 -0.93 -0.43 3.58 -1.84 -2.52 116.42 115.55 1ies h ASP 135 Ca 0.14 -0.58 0.07 0.00 0.42 0.00 0.00 57.03 57.08 1ies h ASP 135 Cb -0.02 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 40.73 1ies h ASP 135 CO -0.05 1.37 0.60 -0.08 -2.88 0.00 0.00 179.24 178.20 1ies h GLU 136 N 0.41 1.02 -0.34 0.28 4.81 -1.82 -0.36 114.58 118.59 1ies h GLU 136 Ca -0.08 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 1ies h GLU 136 Cb 1.50 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1ies h GLU 136 CO 0.17 0.68 -0.16 1.49 -0.73 0.00 0.00 179.01 180.45 1ies h GLU 137 N 1.05 0.70 -0.42 1.92 4.57 -1.19 -1.40 114.58 119.81 1ies h GLU 137 Ca 0.40 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1ies h GLU 137 Cb 0.21 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1ies h GLU 137 CO -0.16 0.91 0.08 0.28 -1.18 0.00 0.00 179.01 178.94 1ies h VAL 138 N 0.48 1.24 -0.44 0.32 2.07 -0.82 -1.50 116.25 117.60 1ies h VAL 138 Ca 0.08 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1ies h VAL 138 Cb 0.69 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1ies h VAL 138 CO 0.05 0.30 0.21 0.11 0.02 0.00 0.00 177.57 178.25 1ies h LYS 139 N 0.54 0.63 -0.28 1.57 1.57 -1.13 -1.88 116.57 117.60 1ies h LYS 139 Ca 0.13 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1ies h LYS 139 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1ies h LYS 139 CO 0.01 0.55 0.11 1.25 -0.57 0.00 0.00 179.45 180.80 1ies h LEU 140 N 0.57 0.40 -1.46 2.94 5.85 -1.08 -1.08 115.31 121.45 1ies h LEU 140 Ca 0.15 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1ies h LEU 140 Cb 0.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1ies h LEU 140 CO -0.02 0.46 0.01 0.40 -0.34 0.00 0.00 178.44 178.94 1ies h ILE 141 N 0.31 1.15 -0.29 4.05 2.04 -1.28 0.38 117.51 123.86 1ies h ILE 141 Ca 0.09 -0.57 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 1ies h ILE 141 Cb 0.19 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1ies h ILE 141 CO -0.01 0.19 -0.11 0.50 0.00 0.00 0.00 178.15 178.73 1ies h LYS 142 N 0.35 0.59 -0.72 2.37 3.64 -0.80 0.23 116.57 122.22 1ies h LYS 142 Ca 0.08 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.28 1ies h LYS 142 Cb 0.23 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 1ies h LYS 142 CO 0.00 0.80 0.41 -0.22 -2.27 0.00 0.00 179.45 178.18 1ies h LYS 143 N 0.34 0.73 -0.53 1.90 3.64 -0.34 0.41 116.57 122.73 1ies h LYS 143 Ca 0.07 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1ies h LYS 143 Cb 0.61 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1ies h LYS 143 CO 0.04 0.48 -0.13 0.52 -2.27 0.00 0.00 179.45 178.09 1ies h MET 144 N 0.75 1.03 -0.78 1.90 2.86 -0.82 -1.08 114.93 118.79 1ies h MET 144 Ca 0.32 -0.40 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1ies h MET 144 Cb 0.20 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 1ies h MET 144 CO -0.19 1.08 0.47 0.78 1.06 0.00 0.00 176.91 180.11 1ies h GLY 145 N 0.90 1.16 0.99 8.32 0.00 -0.03 0.08 103.07 114.49 1ies h GLY 145 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1ies h GLY 145 CO 0.05 0.22 0.34 -0.55 0.00 0.00 0.00 176.54 176.61 1ies h ASP 146 N 0.86 0.74 -0.26 0.19 3.32 -0.82 -2.54 116.42 117.91 1ies h ASP 146 Ca 0.34 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1ies h ASP 146 Cb 0.17 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1ies h ASP 146 CO -0.17 0.61 0.07 0.45 -1.72 0.00 0.00 179.24 178.47 1ies h HIS 147 N 0.82 0.43 -0.85 4.55 3.86 -0.48 -2.52 115.15 120.96 1ies h HIS 147 Ca 0.21 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.46 1ies h HIS 147 Cb 0.02 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.30 1ies h HIS 147 CO -0.01 0.49 0.50 -0.07 0.86 0.00 0.00 177.93 179.70 1ies h LEU 148 N 0.24 0.75 -0.53 2.43 3.38 -0.82 -0.34 115.31 120.43 1ies h LEU 148 Ca 0.08 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1ies h LEU 148 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1ies h LEU 148 CO 0.00 0.44 -0.64 0.71 0.09 0.00 0.00 178.44 179.04 1ies h THR 149 N 0.86 1.37 -0.49 0.22 1.35 -1.41 0.20 112.91 115.02 1ies h THR 149 Ca 0.40 -2.01 -0.11 0.00 -0.55 0.00 0.00 66.41 64.14 1ies h THR 149 Cb 0.32 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1ies h THR 149 CO -0.23 0.60 -0.13 0.78 -0.25 0.00 0.00 175.52 176.30 1ies h ASN 150 N 0.26 0.96 -0.35 5.36 4.21 -1.00 -1.00 115.58 124.03 1ies h ASN 150 Ca -0.01 -0.37 -0.06 0.00 1.21 0.00 0.00 56.30 57.07 1ies h ASN 150 Cb 1.18 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.11 1ies h ASN 150 CO 0.11 1.10 -0.02 0.40 -1.29 0.00 0.00 177.43 177.73 1ies h ILE 151 N 0.80 1.26 -0.76 2.81 2.04 -0.84 -2.49 117.51 120.32 1ies h ILE 151 Ca 0.12 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 65.04 1ies h ILE 151 Cb 0.69 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1ies h ILE 151 CO 0.05 0.34 0.50 1.56 0.00 0.00 0.00 178.15 180.60 1ies h GLN 152 N 0.43 0.73 -0.06 2.37 4.20 -0.39 0.26 115.11 122.65 1ies h GLN 152 Ca 0.10 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 1ies h GLN 152 Cb 0.49 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1ies h GLN 152 CO 0.02 0.49 -0.72 0.07 -0.67 0.00 0.00 178.83 178.01 1ies h ARG 153 N 0.76 0.32 0.08 1.46 0.11 -0.96 -2.41 114.38 113.74 1ies h ARG 153 Ca 0.34 -0.26 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 1ies h ARG 153 Cb 0.34 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1ies h ARG 153 CO -0.12 0.91 -0.04 -0.07 0.10 0.00 0.00 179.97 180.75 1ies h LEU 154 N 0.21 -0.10 -1.41 0.08 3.38 -0.93 -2.97 115.31 113.58 1ies h LEU 154 Ca -0.03 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1ies h LEU 154 Cb 1.29 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1ies h LEU 154 CO 0.12 0.38 -0.29 0.58 0.09 0.00 0.00 178.44 179.32 1ies h VAL 155 N -0.61 1.07 0.12 1.22 2.07 -1.07 -1.85 116.25 117.20 1ies h VAL 155 Ca -0.01 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1ies h VAL 155 Cb 0.50 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1ies h VAL 155 CO 0.02 0.29 -0.06 1.23 0.02 0.00 0.00 177.57 179.07 1ies h GLY 156 N 1.06 -0.16 0.00 2.17 0.00 -1.45 -3.21 103.07 101.48 1ies h GLY 156 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ies h GLY 156 CO 0.04 -0.06 0.00 1.44 0.00 0.00 0.00 176.54 177.96 1ies n SER 157 N -5.09 0.00 -3.65 0.19 7.64 -0.87 -4.71 113.62 107.13 1ies n SER 157 Ca -0.08 0.90 -0.21 0.00 1.01 0.00 0.00 58.87 60.49 1ies n SER 157 Cb 0.15 -0.40 -0.17 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.61 -0.02 0.05 1.43 -1.52 -0.75 -5.09 119.66 111.15 1ies s GLN 158 Ca 0.00 0.30 -0.18 0.00 -1.95 0.00 0.00 55.36 53.52 1ies s GLN 158 Cb 0.00 -0.80 -0.08 0.00 -0.22 0.00 0.00 33.01 31.91 1ies s GLN 158 CO 0.00 -0.41 1.29 0.00 -0.25 0.00 0.00 175.29 175.91 1ies h ALA 159 N 8.42 -0.84 -0.20 6.09 0.00 -1.76 0.57 119.26 131.53 1ies h ALA 159 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ies h ALA 159 Cb 1.13 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1ies h ALA 159 CO 0.18 -0.90 0.13 0.78 0.00 0.00 0.00 179.25 179.45 1ies h GLY 160 N -0.44 0.29 0.98 0.00 0.00 -1.94 -1.02 103.07 100.93 1ies h GLY 160 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1ies h GLY 160 CO -0.11 0.11 0.24 -2.00 0.00 0.00 0.00 176.54 174.78 1ies h LEU 161 N 0.27 0.72 -0.17 3.11 5.85 -1.96 -1.19 115.31 121.95 1ies h LEU 161 Ca 0.07 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1ies h LEU 161 Cb -0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1ies h LEU 161 CO -0.02 0.67 0.11 1.23 -0.34 0.00 0.00 178.44 180.09 1ies h GLY 162 N 0.73 0.23 1.00 3.75 0.00 -0.51 0.13 103.07 108.39 1ies h GLY 162 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ies h GLY 162 CO -0.02 0.08 0.33 0.83 0.00 0.00 0.00 176.54 177.76 1ies h GLU 163 N 0.22 0.70 -0.43 4.80 5.08 -1.11 -1.48 114.58 122.37 1ies h GLU 163 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ies h GLU 163 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1ies h GLU 163 CO -0.02 0.49 0.24 -0.92 -1.00 0.00 0.00 179.01 177.80 1ies h TYR 164 N 0.71 0.58 -0.41 4.33 3.20 -0.85 -2.49 116.97 122.04 1ies h TYR 164 Ca 0.19 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 1ies h TYR 164 Cb -0.04 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1ies h TYR 164 CO -0.03 0.44 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.63 1ies h LEU 165 N 0.56 0.84 -0.36 2.82 3.38 -0.55 0.02 115.31 122.02 1ies h LEU 165 Ca 0.15 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ies h LEU 165 Cb 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1ies h LEU 165 CO -0.03 1.03 0.19 0.15 0.09 0.00 0.00 178.44 179.88 1ies h PHE 166 N 0.72 0.49 -0.43 1.13 3.57 -1.27 0.88 116.94 122.03 1ies h PHE 166 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1ies h PHE 166 Cb 0.75 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1ies h PHE 166 CO 0.04 0.39 0.12 1.49 -2.23 0.00 0.00 178.31 178.13 1ies h GLU 167 N 0.45 0.68 0.05 1.11 4.22 -1.33 0.34 114.58 120.10 1ies h GLU 167 Ca 0.13 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.41 1ies h GLU 167 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ies h GLU 167 CO -0.02 0.67 -0.02 0.00 -2.18 0.00 0.00 179.01 177.46 1ies h ARG 168 N 0.56 -0.06 0.00 1.92 -0.00 -0.60 0.70 114.38 116.90 1ies h ARG 168 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 1ies h ARG 168 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.27 1ies h ARG 168 CO -0.00 0.28 -1.83 1.28 0.00 0.00 0.00 179.97 179.70 1ies n LEU 169 N -4.96 0.13 -0.11 3.04 4.77 0.30 -3.25 117.00 116.92 1ies n LEU 169 Ca -0.08 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.59 1ies n LEU 169 Cb 0.20 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1ies n LEU 169 CO 0.33 0.03 -1.23 0.41 -1.33 0.00 0.00 177.39 175.60 1ies n THR 170 N -2.13 1.35 0.09 -5.08 -1.04 -0.07 -4.09 114.28 103.30 1ies n THR 170 Ca -0.03 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.05 61.53 1ies n THR 170 Cb 0.52 -1.89 -0.15 0.00 -1.82 0.00 0.00 70.33 67.00 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 -0.87 0.51 -1.78 -4.42 4.07 -0.86 -2.70 115.31 109.27 1ies h LEU 171 Ca -0.53 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 56.79 1ies h LEU 171 Cb 1.45 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1ies h LEU 171 CO -0.32 1.52 0.00 1.17 -1.08 0.00 0.00 178.44 179.72 1ies n LYS 172 N -3.54 2.36 -1.16 1.13 4.81 0.24 -4.39 118.16 117.62 1ies n LYS 172 Ca -0.16 -1.35 -0.02 0.00 -0.87 0.00 0.00 58.31 55.91 1ies n LYS 172 Cb 1.05 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 34.47 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 0.38 0.00 -1.95 5.64 8.25 -1.21 -4.92 115.22 121.41 1ies n HIS 173 Ca 0.12 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1ies n HIS 173 Cb 0.51 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.86 1ies n HIS 173 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51