#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqs s LYS 3 N 0.00 2.18 -0.10 3.52 1.02 -1.26 -0.97 119.74 124.13 1sqs s LYS 3 Ca 0.00 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.17 1sqs s LYS 3 Cb 0.00 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1sqs s LYS 3 CO 0.00 0.41 -0.15 0.42 -0.92 0.00 0.00 175.35 175.11 1sqs s ILE 4 N -0.29 1.42 -0.17 2.17 1.01 0.25 -0.65 121.20 124.93 1sqs s ILE 4 Ca 0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 1sqs s ILE 4 Cb -0.12 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1sqs s ILE 4 CO 0.02 0.42 0.03 0.12 0.00 0.00 0.00 174.94 175.53 1sqs s PHE 5 N 0.87 3.18 -0.06 3.97 2.19 -0.12 -1.06 117.98 126.95 1sqs s PHE 5 Ca -0.09 -0.05 0.03 0.00 0.33 0.00 0.00 56.93 57.15 1sqs s PHE 5 Cb -0.15 -2.04 0.00 0.00 -1.31 0.00 0.00 43.02 39.52 1sqs s PHE 5 CO 0.01 0.09 -0.16 0.42 1.83 0.00 0.00 175.22 177.41 1sqs s ILE 6 N 0.38 1.38 -0.07 3.12 1.01 0.20 -0.29 121.20 126.93 1sqs s ILE 6 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1sqs s ILE 6 Cb -0.13 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1sqs s ILE 6 CO 0.01 0.40 -0.04 -0.47 0.00 0.00 0.00 174.94 174.84 1sqs s TYR 7 N 0.34 0.91 -0.26 3.97 6.14 -0.42 -0.34 117.35 127.68 1sqs s TYR 7 Ca -0.10 -0.31 -0.02 0.00 0.64 0.00 0.00 57.07 57.28 1sqs s TYR 7 Cb -0.14 -0.83 0.03 0.00 0.42 0.00 0.00 41.96 41.44 1sqs s TYR 7 CO 0.04 -0.29 -0.05 0.00 0.64 0.00 0.00 175.55 175.89 1sqs s ALA 8 N 1.33 2.72 -1.42 3.97 0.00 -0.73 -1.23 121.76 126.41 1sqs s ALA 8 Ca -0.04 -1.51 -0.14 0.00 0.00 0.00 0.00 51.96 50.27 1sqs s ALA 8 Cb -0.14 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.27 1sqs s ALA 8 CO -0.02 -0.88 2.24 0.41 0.00 0.00 0.00 175.76 177.51 1sqs n GLY 9 N 4.66 4.30 3.36 0.00 0.00 -0.58 -4.24 105.19 112.68 1sqs n GLY 9 Ca -0.16 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1sqs n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sqs s VAL 10 N 3.26 2.20 -0.15 1.61 -7.23 -1.26 -4.39 120.40 114.44 1sqs s VAL 10 Ca 0.49 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1sqs s VAL 10 Cb 0.14 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1sqs s VAL 10 CO -0.08 0.34 0.16 0.54 -0.31 0.00 0.00 175.10 175.76 1sqs n ARG 11 N 1.67 4.11 -4.18 4.82 5.12 -1.26 -4.12 116.66 122.82 1sqs n ARG 11 Ca -0.17 -0.01 -0.34 0.00 -1.93 0.00 0.00 57.85 55.40 1sqs n ARG 11 Cb 0.52 -0.81 -0.13 0.00 -1.16 0.00 0.00 32.46 30.88 1sqs n ARG 11 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1sqs s ASN 12 N -1.71 4.73 0.58 0.55 2.47 -1.26 -4.99 114.94 115.31 1sqs s ASN 12 Ca 0.01 -0.20 0.34 0.00 0.42 0.00 0.00 52.86 53.42 1sqs s ASN 12 Cb 0.03 -1.80 1.74 0.00 -1.45 0.00 0.00 41.25 39.78 1sqs s ASN 12 CO 0.18 0.09 2.16 1.12 -3.72 0.00 0.00 177.10 176.93 1sqs h HIS 13 N 7.28 0.00 -0.44 0.43 2.07 -2.06 -1.07 115.15 121.37 1sqs h HIS 13 Ca -0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1sqs h HIS 13 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1sqs h HIS 13 CO 0.57 0.05 0.00 0.09 -3.07 0.00 0.00 177.93 175.57 1sqs n ASN 14 N -3.39 2.56 -4.62 3.10 3.02 -1.26 -4.94 115.26 109.72 1sqs n ASN 14 Ca -0.02 -2.07 -0.50 0.00 -0.03 0.00 0.00 54.58 51.97 1sqs n ASN 14 Cb 0.19 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 1sqs n ASN 14 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1sqs n SER 15 N 0.75 2.18 0.08 6.41 2.88 -0.41 -4.87 113.62 120.64 1sqs n SER 15 Ca 0.15 1.11 -0.03 0.00 -1.33 0.00 0.00 58.87 58.77 1sqs n SER 15 Cb 0.43 -1.28 0.20 0.00 -0.75 0.00 0.00 64.21 62.81 1sqs n SER 15 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1sqs h LYS 16 N 5.08 0.30 -0.63 -1.46 1.63 -1.93 -2.07 116.57 117.48 1sqs h LYS 16 Ca -0.47 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1sqs h LYS 16 Cb 1.31 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.90 1sqs h LYS 16 CO 0.82 0.67 0.38 1.15 -3.45 0.00 0.00 179.45 179.02 1sqs h THR 17 N 0.25 1.18 -0.64 1.00 2.02 -1.91 -0.52 112.91 114.28 1sqs h THR 17 Ca 0.02 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 1sqs h THR 17 Cb 0.85 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1sqs h THR 17 CO 0.07 0.19 0.17 0.25 0.37 0.00 0.00 175.52 176.56 1sqs h LEU 18 N 0.85 0.96 -0.21 2.58 5.85 -1.85 -0.53 115.31 122.96 1sqs h LEU 18 Ca 0.23 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1sqs h LEU 18 Cb -0.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1sqs h LEU 18 CO -0.04 0.94 0.12 -0.08 -0.34 0.00 0.00 178.44 179.04 1sqs h GLU 19 N 0.94 0.24 -0.14 1.25 4.81 -0.79 0.41 114.58 121.30 1sqs h GLU 19 Ca 0.20 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1sqs h GLU 19 Cb 0.34 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1sqs h GLU 19 CO -0.00 0.16 -0.38 1.88 -0.73 0.00 0.00 179.01 179.94 1sqs h TYR 20 N 0.25 0.36 -0.39 0.92 0.05 -0.93 -0.70 116.97 116.54 1sqs h TYR 20 Ca 0.08 -0.09 -0.16 0.00 0.05 0.00 0.00 58.73 58.61 1sqs h TYR 20 Cb -0.00 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1sqs h TYR 20 CO -0.08 0.66 -0.38 1.15 -1.05 0.00 0.00 178.16 178.46 1sqs h THR 21 N 0.26 1.27 -0.49 -2.88 2.02 -0.76 -0.97 112.91 111.36 1sqs h THR 21 Ca 0.03 -1.55 -0.09 0.00 0.77 0.00 0.00 66.41 65.56 1sqs h THR 21 Cb 0.80 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1sqs h THR 21 CO 0.06 0.52 -0.06 0.11 0.37 0.00 0.00 175.52 176.52 1sqs h LYS 22 N 0.77 0.88 -0.26 6.66 1.79 -0.73 -1.68 116.57 123.99 1sqs h LYS 22 Ca 0.06 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1sqs h LYS 22 Cb 0.97 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1sqs h LYS 22 CO 0.09 0.91 0.14 -0.09 -1.08 0.00 0.00 179.45 179.43 1sqs h ARG 23 N 0.80 0.37 -0.63 3.15 9.65 -0.90 0.02 114.38 126.84 1sqs h ARG 23 Ca 0.14 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1sqs h ARG 23 Cb 0.57 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 1sqs h ARG 23 CO 0.03 0.34 0.41 1.25 2.80 0.00 0.00 179.97 184.81 1sqs h LEU 24 N 0.30 0.71 -0.57 3.80 5.85 -0.96 -0.79 115.31 123.64 1sqs h LEU 24 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1sqs h LEU 24 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1sqs h LEU 24 CO -0.01 0.51 0.33 -1.28 -0.34 0.00 0.00 178.44 177.65 1sqs h SER 25 N 0.84 0.69 -0.65 1.25 0.87 -1.01 -1.96 113.55 113.58 1sqs h SER 25 Ca 0.23 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1sqs h SER 25 Cb -0.08 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1sqs h SER 25 CO -0.06 0.56 0.33 0.28 -0.53 0.00 0.00 176.83 177.41 1sqs h SER 26 N 0.77 0.83 0.05 6.23 0.02 -0.51 -1.55 113.55 119.38 1sqs h SER 26 Ca 0.20 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1sqs h SER 26 Cb -0.00 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1sqs h SER 26 CO -0.04 0.71 -0.02 0.40 -1.14 0.00 0.00 176.83 176.74 1sqs h ILE 27 N 0.89 1.00 -0.37 3.27 2.04 -0.88 -1.18 117.51 122.28 1sqs h ILE 27 Ca 0.23 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1sqs h ILE 27 Cb 0.08 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1sqs h ILE 27 CO -0.03 0.04 0.16 0.40 0.00 0.00 0.00 178.15 178.71 1sqs h ILE 28 N -0.13 0.94 0.00 -0.67 2.04 -1.22 -2.24 117.51 116.23 1sqs h ILE 28 Ca -0.01 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1sqs h ILE 28 Cb 0.11 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1sqs h ILE 28 CO 0.01 0.06 -0.23 0.28 0.00 0.00 0.00 178.15 178.28 1sqs h SER 29 N 0.33 0.00 0.43 1.72 0.02 -1.18 0.69 113.55 115.57 1sqs h SER 29 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1sqs h SER 29 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1sqs h SER 29 CO -0.14 0.23 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.18 1sqs n SER 30 N -3.81 0.23 0.00 3.07 3.41 -0.46 -3.70 113.62 112.36 1sqs n SER 30 Ca -0.02 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1sqs n SER 30 Cb 0.32 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1sqs n SER 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sqs n ARG 31 N -1.11 4.43 -3.97 4.33 1.74 -0.91 -5.08 116.66 116.10 1sqs n ARG 31 Ca 0.15 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.14 1sqs n ARG 31 Cb 0.25 -0.44 -0.10 0.00 -1.02 0.00 0.00 32.46 31.15 1sqs n ARG 31 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sqs s ASN 32 N -0.84 0.25 -0.69 0.55 0.01 0.19 -5.09 114.94 109.32 1sqs s ASN 32 Ca 0.00 -0.62 -0.15 0.00 -0.71 0.00 0.00 52.86 51.38 1sqs s ASN 32 Cb 0.00 0.19 0.18 0.00 0.41 0.00 0.00 41.25 42.03 1sqs s ASN 32 CO 0.00 -0.48 0.63 0.21 -1.51 0.00 0.00 177.10 175.95 1sqs s ASN 33 N -2.15 6.46 0.18 -1.22 2.47 -1.26 -4.44 114.94 114.99 1sqs s ASN 33 Ca -0.05 -2.27 0.02 0.00 0.42 0.00 0.00 52.86 50.98 1sqs s ASN 33 Cb -0.01 -2.20 -0.05 0.00 -1.45 0.00 0.00 41.25 37.54 1sqs s ASN 33 CO -0.05 -0.70 0.01 0.68 -3.72 0.00 0.00 177.10 173.32 1sqs s VAL 34 N 0.83 0.68 -0.42 -5.21 -7.23 -1.26 -4.69 120.40 103.10 1sqs s VAL 34 Ca 0.11 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 1sqs s VAL 34 Cb -0.20 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.62 1sqs s VAL 34 CO -0.03 -0.43 0.30 -0.62 -0.31 0.00 0.00 175.10 174.01 1sqs s ASP 35 N -3.19 5.96 -0.17 4.85 3.68 -0.14 -5.01 116.67 122.65 1sqs s ASP 35 Ca 0.25 -1.15 -0.05 0.00 2.13 0.00 0.00 52.55 53.73 1sqs s ASP 35 Cb 0.06 -2.11 -0.03 0.00 -1.45 0.00 0.00 42.92 39.39 1sqs s ASP 35 CO 0.05 -0.51 0.00 -0.63 0.13 0.00 0.00 175.17 174.21 1sqs s ILE 36 N 1.60 4.22 -0.33 4.11 1.01 -1.26 -0.59 121.20 129.96 1sqs s ILE 36 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1sqs s ILE 36 Cb -0.21 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1sqs s ILE 36 CO 0.07 0.47 0.10 -0.55 0.00 0.00 0.00 174.94 175.03 1sqs s SER 37 N 0.43 5.29 -0.36 3.58 0.15 -0.22 -4.98 113.70 117.59 1sqs s SER 37 Ca -0.01 -1.11 -0.11 0.00 0.70 0.00 0.00 55.95 55.41 1sqs s SER 37 Cb -0.14 -1.87 0.01 0.00 -1.71 0.00 0.00 66.02 62.32 1sqs s SER 37 CO 0.02 -0.32 0.21 0.12 1.20 0.00 0.00 173.24 174.47 1sqs s PHE 38 N 1.41 3.22 0.10 3.44 2.19 -1.26 -0.63 117.98 126.45 1sqs s PHE 38 Ca -0.01 -0.70 0.10 0.00 0.33 0.00 0.00 56.93 56.64 1sqs s PHE 38 Cb -0.19 -2.44 -0.04 0.00 -1.31 0.00 0.00 43.02 39.04 1sqs s PHE 38 CO 0.03 -0.55 -0.23 1.03 1.83 0.00 0.00 175.22 177.33 1sqs s ARG 39 N 1.61 1.65 0.28 10.12 0.52 0.53 -5.00 118.95 128.66 1sqs s ARG 39 Ca 0.04 -1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 53.91 1sqs s ARG 39 Cb -0.18 -2.01 0.01 0.00 0.52 0.00 0.00 34.95 33.29 1sqs s ARG 39 CO 0.08 0.48 0.53 0.95 0.02 0.00 0.00 175.30 177.35 1sqs s THR 40 N -1.03 0.00 -0.31 0.02 -4.23 -1.26 -1.76 115.64 107.07 1sqs s THR 40 Ca 0.15 -1.37 0.22 0.00 -1.18 0.00 0.00 61.69 59.52 1sqs s THR 40 Cb -0.10 -2.33 0.23 0.00 1.34 0.00 0.00 72.50 71.63 1sqs s THR 40 CO 0.06 0.00 1.68 -2.65 -0.54 0.00 0.00 174.62 173.18 1sqs n PRO 41 N -0.44 0.16 0.11 3.99 -0.02 -1.26 -0.75 135.00 136.79 1sqs n PRO 41 Ca -0.02 0.55 -0.18 0.00 -2.02 0.00 0.00 63.50 61.84 1sqs n PRO 41 Cb 0.61 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 32.04 1sqs n PRO 41 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1sqs h PHE 42 N 0.00 0.63 -0.07 6.00 0.04 -1.94 -3.36 116.94 118.24 1sqs h PHE 42 Ca 0.00 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1sqs h PHE 42 Cb 0.15 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1sqs h PHE 42 CO 0.00 1.33 0.00 0.27 -0.60 0.00 0.00 178.31 179.31 1sqs n ASN 43 N -3.61 2.00 -3.92 2.17 0.23 -0.97 -4.98 115.26 106.17 1sqs n ASN 43 Ca -0.10 -1.53 -0.15 0.00 -0.53 0.00 0.00 54.58 52.27 1sqs n ASN 43 Cb 1.01 -0.04 -0.15 0.00 -2.08 0.00 0.00 39.78 38.52 1sqs n ASN 43 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1sqs s SER 44 N -0.82 0.47 -0.32 0.53 0.01 0.07 -4.88 113.70 108.76 1sqs s SER 44 Ca 0.13 -0.07 -0.10 0.00 1.31 0.00 0.00 55.95 57.22 1sqs s SER 44 Cb 0.08 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1sqs s SER 44 CO 0.12 0.02 0.15 -0.70 0.41 0.00 0.00 173.24 173.25 1sqs s GLU 45 N 0.10 3.17 -0.34 12.44 2.56 -1.26 -4.35 118.70 131.02 1sqs s GLU 45 Ca -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 54.97 54.14 1sqs s GLU 45 Cb -0.04 -3.58 0.11 0.00 2.00 0.00 0.00 34.13 32.62 1sqs s GLU 45 CO -0.00 -0.49 0.12 -0.51 -0.56 0.00 0.00 175.26 173.82 1sqs s LEU 46 N 1.58 2.83 0.71 2.70 1.43 -1.26 -0.76 118.68 125.90 1sqs s LEU 46 Ca 0.04 -1.95 -0.16 0.00 -1.03 0.00 0.00 54.13 51.02 1sqs s LEU 46 Cb -0.18 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.01 1sqs s LEU 46 CO 0.06 -0.38 1.18 -0.62 0.23 0.00 0.00 176.35 176.82 1sqs n GLU 47 N 4.45 0.71 -1.70 1.70 -0.58 -1.26 -4.85 120.64 119.11 1sqs n GLU 47 Ca 0.01 0.30 -0.42 0.00 -0.42 0.00 0.00 57.16 56.63 1sqs n GLU 47 Cb 0.40 -2.42 -0.03 0.00 -0.57 0.00 0.00 31.44 28.82 1sqs n GLU 47 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1sqs n ILE 48 N -2.42 0.21 -1.62 -3.67 5.41 -1.26 -4.85 119.36 111.16 1sqs n ILE 48 Ca 0.15 -0.04 -0.50 0.00 1.00 0.00 0.00 62.75 63.36 1sqs n ILE 48 Cb 0.49 -2.04 -0.05 0.00 -0.71 0.00 0.00 39.64 37.32 1sqs n ILE 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1sqs n SER 49 N 4.92 2.22 -0.15 4.38 2.88 -1.26 -4.89 113.62 121.72 1sqs n SER 49 Ca 0.17 1.10 0.05 0.00 -1.33 0.00 0.00 58.87 58.86 1sqs n SER 49 Cb 0.36 -1.28 0.07 0.00 -0.75 0.00 0.00 64.21 62.61 1sqs n SER 49 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1sqs n ASN 50 N 3.00 1.50 -4.71 -3.46 2.04 -1.26 -5.07 115.26 107.30 1sqs n ASN 50 Ca 0.18 -2.41 -0.34 0.00 -0.44 0.00 0.00 54.58 51.57 1sqs n ASN 50 Cb 0.23 -0.25 0.10 0.00 -2.53 0.00 0.00 39.78 37.33 1sqs n ASN 50 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1sqs s SER 51 N -1.78 4.02 -0.16 0.53 1.04 -1.26 -5.03 113.70 111.06 1sqs s SER 51 Ca 0.15 2.37 -0.02 0.00 0.48 0.00 0.00 55.95 58.93 1sqs s SER 51 Cb 0.13 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 1sqs s SER 51 CO 0.01 -2.38 -0.09 -0.62 0.98 0.00 0.00 173.24 171.15 1sqs s ASP 52 N -2.04 4.27 0.21 7.02 2.15 -1.26 -5.04 116.67 121.97 1sqs s ASP 52 Ca 0.74 -0.30 -0.10 0.00 0.43 0.00 0.00 52.55 53.32 1sqs s ASP 52 Cb -0.29 -1.69 0.29 0.00 -0.30 0.00 0.00 42.92 40.93 1sqs s ASP 52 CO 0.47 0.11 1.71 0.28 -0.17 0.00 0.00 175.17 177.57 1sqs h SER 53 N 7.10 0.00 0.10 -0.34 0.02 -1.98 1.00 113.55 119.45 1sqs h SER 53 Ca -0.32 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1sqs h SER 53 Cb 1.19 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 1sqs h SER 53 CO 0.59 0.01 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.86 1sqs h GLU 54 N 0.26 -0.22 -0.63 3.45 5.08 -1.98 0.45 114.58 120.99 1sqs h GLU 54 Ca 0.31 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1sqs h GLU 54 Cb 0.46 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1sqs h GLU 54 CO -0.40 -0.15 0.02 0.93 -1.00 0.00 0.00 179.01 178.42 1sqs h GLU 55 N -0.23 1.09 0.18 2.33 5.08 -1.84 -0.47 114.58 120.72 1sqs h GLU 55 Ca 0.01 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1sqs h GLU 55 Cb 0.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1sqs h GLU 55 CO -0.04 1.05 -0.08 1.25 -1.00 0.00 0.00 179.01 180.19 1sqs h LEU 56 N 1.00 -0.20 0.13 1.33 6.46 -0.61 -1.55 115.31 121.87 1sqs h LEU 56 Ca 0.18 -0.21 -0.30 0.00 -0.12 0.00 0.00 57.88 57.43 1sqs h LEU 56 Cb 0.54 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1sqs h LEU 56 CO 0.03 0.11 -1.49 -0.26 -0.62 0.00 0.00 178.44 176.21 1sqs h PHE 57 N -0.53 0.49 0.06 1.25 0.05 -0.97 -1.05 116.94 116.24 1sqs h PHE 57 Ca -0.02 -0.36 -0.25 0.00 3.82 0.00 0.00 57.97 61.16 1sqs h PHE 57 Cb 0.40 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 1sqs h PHE 57 CO 0.02 1.38 -1.20 0.87 -0.18 0.00 0.00 178.31 179.20 1sqs h LYS 58 N 0.07 0.13 0.00 1.51 1.57 -1.22 -3.23 116.57 115.41 1sqs h LYS 58 Ca -0.23 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1sqs h LYS 58 Cb 2.02 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.41 1sqs h LYS 58 CO 0.17 1.07 0.00 1.63 -0.57 0.00 0.00 179.45 181.75 1sqs n LYS 59 N -3.41 0.52 -2.28 3.15 5.02 -0.84 -1.05 118.16 119.26 1sqs n LYS 59 Ca -0.06 -0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 55.71 1sqs n LYS 59 Cb 0.99 -0.85 -0.01 0.00 -0.02 0.00 0.00 35.03 35.14 1sqs n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sqs n GLY 60 N 0.18 -0.24 3.63 0.72 0.00 -0.40 -4.90 105.19 104.18 1sqs n GLY 60 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1sqs n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqs s ILE 61 N -2.79 4.91 -0.26 -0.61 1.01 -0.64 -4.95 121.20 117.86 1sqs s ILE 61 Ca 0.00 1.35 0.00 0.00 0.00 0.00 0.00 60.65 62.00 1sqs s ILE 61 Cb 0.00 -4.02 0.08 0.00 0.01 0.00 0.00 42.46 38.52 1sqs s ILE 61 CO 0.00 -0.02 0.02 -0.62 0.00 0.00 0.00 174.94 174.32 1sqs s ASP 62 N 1.41 3.86 -0.76 3.58 2.15 -1.26 -3.92 116.67 121.71 1sqs s ASP 62 Ca 0.30 -1.38 -0.02 0.00 0.43 0.00 0.00 52.55 51.88 1sqs s ASP 62 Cb -0.15 -1.04 0.27 0.00 -0.30 0.00 0.00 42.92 41.70 1sqs s ASP 62 CO 0.08 -0.32 2.22 -2.11 -0.17 0.00 0.00 175.17 174.87 1sqs n ARG 63 N 4.74 2.82 0.00 4.34 1.85 -1.26 -4.46 116.66 124.69 1sqs n ARG 63 Ca -0.06 -3.27 0.00 0.00 -1.00 0.00 0.00 57.85 53.51 1sqs n ARG 63 Cb 0.44 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.59 1sqs n ARG 63 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1sqs n GLN 64 N -0.11 0.00 -0.36 2.89 6.02 -1.26 -4.95 117.38 119.60 1sqs n GLN 64 Ca 0.52 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.61 1sqs n GLN 64 Cb 0.31 -0.16 0.27 0.00 1.02 0.00 0.00 30.24 31.68 1sqs n GLN 64 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1sqs h SER 65 N 0.00 0.88 -0.09 1.08 0.02 -1.91 0.12 113.55 113.64 1sqs h SER 65 Ca 0.00 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1sqs h SER 65 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1sqs h SER 65 CO 0.00 0.42 0.03 -0.46 -1.14 0.00 0.00 176.83 175.67 1sqs n ASN 66 N -4.67 2.13 0.00 3.07 2.04 -1.26 -2.83 115.26 113.73 1sqs n ASN 66 Ca 0.20 -2.14 0.00 0.00 -0.44 0.00 0.00 54.58 52.20 1sqs n ASN 66 Cb 0.43 -0.53 0.00 0.00 -2.53 0.00 0.00 39.78 37.15 1sqs n ASN 66 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1sqs n ALA 67 N 0.16 1.65 -3.00 -2.53 0.00 0.38 -5.10 120.51 112.07 1sqs n ALA 67 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1sqs n ALA 67 Cb 0.47 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1sqs n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sqs n ASP 68 N -1.38 0.02 -0.45 0.00 3.85 -1.11 -5.03 116.55 112.45 1sqs n ASP 68 Ca 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.13 1sqs n ASP 68 Cb 0.16 0.00 0.16 0.00 -1.35 0.00 0.00 41.12 40.09 1sqs n ASP 68 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1sqs n ASP 69 N 0.00 1.31 -0.26 -1.12 10.43 0.06 -4.16 116.55 122.80 1sqs n ASP 69 Ca 0.00 -1.94 -0.03 0.00 2.57 0.00 0.00 54.79 55.39 1sqs n ASP 69 Cb 0.00 -0.15 0.09 0.00 1.84 0.00 0.00 41.12 42.89 1sqs n ASP 69 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1sqs h GLY 70 N 5.40 1.06 1.00 0.44 0.00 -1.71 -1.31 103.07 107.96 1sqs h GLY 70 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1sqs h GLY 70 CO 0.00 0.29 0.02 -1.33 0.00 0.00 0.00 176.54 175.52 1sqs h GLY 71 N 0.90 0.03 1.52 4.60 0.00 -1.68 -0.42 103.07 108.01 1sqs h GLY 71 Ca 0.30 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1sqs h GLY 71 CO -0.11 0.01 -0.11 -0.24 0.00 0.00 0.00 176.54 176.09 1sqs h VAL 72 N 0.03 1.24 -0.44 4.60 3.04 -1.81 -1.31 116.25 121.60 1sqs h VAL 72 Ca 0.01 -1.05 -0.06 0.00 -1.01 0.00 0.00 66.70 64.59 1sqs h VAL 72 Cb -0.00 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.36 1sqs h VAL 72 CO -0.00 0.35 0.05 0.40 -1.01 0.00 0.00 177.57 177.36 1sqs h ILE 73 N 0.54 1.25 -0.75 3.17 2.04 -0.98 -0.74 117.51 122.04 1sqs h ILE 73 Ca 0.10 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1sqs h ILE 73 Cb 0.51 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1sqs h ILE 73 CO 0.03 0.32 0.38 0.11 0.00 0.00 0.00 178.15 178.99 1sqs h LYS 74 N 0.59 1.06 -0.43 2.37 1.57 -0.75 -0.79 116.57 120.18 1sqs h LYS 74 Ca 0.13 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1sqs h LYS 74 Cb 0.41 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1sqs h LYS 74 CO 0.01 0.81 0.19 -0.22 -0.57 0.00 0.00 179.45 179.67 1sqs h LYS 75 N 1.04 0.64 -0.32 3.15 3.64 -0.94 -2.10 116.57 121.68 1sqs h LYS 75 Ca 0.26 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1sqs h LYS 75 Cb 0.08 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1sqs h LYS 75 CO -0.04 0.57 -0.14 0.93 -2.27 0.00 0.00 179.45 178.50 1sqs h GLU 76 N 0.56 0.56 -0.40 1.90 5.08 -0.87 -2.20 114.58 119.21 1sqs h GLU 76 Ca 0.15 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1sqs h GLU 76 Cb 0.15 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1sqs h GLU 76 CO -0.02 0.69 0.19 -0.07 -1.00 0.00 0.00 179.01 178.81 1sqs h LEU 77 N 0.51 0.52 -1.33 1.33 3.38 -0.86 -1.57 115.31 117.29 1sqs h LEU 77 Ca 0.09 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1sqs h LEU 77 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1sqs h LEU 77 CO 0.03 0.50 -0.30 -0.07 0.09 0.00 0.00 178.44 178.70 1sqs h LEU 78 N 0.51 0.00 -0.42 1.67 3.38 -1.15 -2.79 115.31 116.50 1sqs h LEU 78 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1sqs h LEU 78 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sqs h LEU 78 CO -0.02 0.30 -0.42 -0.62 0.09 0.00 0.00 178.44 177.78 1sqs n GLU 79 N -3.79 0.64 -2.58 1.13 1.02 -0.85 -4.94 120.64 111.27 1sqs n GLU 79 Ca -0.01 -0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 56.39 1sqs n GLU 79 Cb 0.39 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 1sqs n GLU 79 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1sqs s SER 80 N -2.65 6.63 -0.19 1.62 1.04 -0.61 -4.79 113.70 114.75 1sqs s SER 80 Ca 0.19 1.45 0.04 0.00 0.48 0.00 0.00 55.95 58.10 1sqs s SER 80 Cb 0.18 -2.46 -0.22 0.00 0.10 0.00 0.00 66.02 63.63 1sqs s SER 80 CO 0.60 -0.50 0.09 0.47 0.98 0.00 0.00 173.24 174.88 1sqs n ASP 81 N -1.38 1.55 -4.11 7.02 8.00 0.18 -4.92 116.55 122.89 1sqs n ASP 81 Ca 0.05 0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.37 1sqs n ASP 81 Cb 0.54 -0.25 -0.15 0.00 -0.02 0.00 0.00 41.12 41.24 1sqs n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sqs s ILE 82 N -2.53 1.13 -0.11 0.53 1.01 -0.99 -2.54 121.20 117.71 1sqs s ILE 82 Ca -0.24 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1sqs s ILE 82 Cb 0.08 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.61 1sqs s ILE 82 CO 0.71 0.32 -0.22 -0.63 0.00 0.00 0.00 174.94 175.13 1sqs s ILE 83 N -0.34 1.94 -0.18 2.92 1.01 0.52 -0.95 121.20 126.13 1sqs s ILE 83 Ca 0.05 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 1sqs s ILE 83 Cb -0.06 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1sqs s ILE 83 CO -0.01 0.53 -0.15 -0.63 0.00 0.00 0.00 174.94 174.69 1sqs s ILE 84 N 0.59 2.58 -0.14 2.92 1.01 0.60 -0.52 121.20 128.25 1sqs s ILE 84 Ca -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1sqs s ILE 84 Cb -0.17 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1sqs s ILE 84 CO 0.04 0.51 -0.19 -0.63 0.00 0.00 0.00 174.94 174.67 1sqs s ILE 85 N 1.10 2.37 0.02 2.92 -1.09 -0.59 -1.31 121.20 124.62 1sqs s ILE 85 Ca 0.00 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1sqs s ILE 85 Cb -0.14 -1.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 1sqs s ILE 85 CO -0.05 0.53 -0.19 -0.94 -1.23 0.00 0.00 174.94 173.06 1sqs s SER 86 N 0.76 2.29 -0.07 3.58 1.04 -0.36 -1.05 113.70 119.89 1sqs s SER 86 Ca -0.07 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 55.82 1sqs s SER 86 Cb -0.16 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.77 1sqs s SER 86 CO 0.00 0.17 0.22 -0.55 0.98 0.00 0.00 173.24 174.06 1sqs s SER 87 N -0.92 -0.19 0.74 7.02 0.15 0.07 -1.53 113.70 119.04 1sqs s SER 87 Ca 0.07 0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.94 1sqs s SER 87 Cb -0.08 0.41 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1sqs s SER 87 CO 0.01 -0.14 1.08 -2.84 1.20 0.00 0.00 173.24 172.54 1sqs s PRO 88 N -0.18 2.53 -0.42 5.44 0.02 -1.26 -1.89 135.00 139.24 1sqs s PRO 88 Ca -0.03 0.91 -0.06 0.00 0.02 0.00 0.00 61.00 61.85 1sqs s PRO 88 Cb -0.03 -1.95 0.10 0.00 0.02 0.00 0.00 34.50 32.65 1sqs s PRO 88 CO 0.01 -1.38 0.23 0.08 -0.33 0.00 0.00 177.00 175.61 1sqs s VAL 89 N -3.04 3.72 -0.11 3.83 1.01 0.92 -3.62 120.40 123.11 1sqs s VAL 89 Ca 0.59 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1sqs s VAL 89 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1sqs s VAL 89 CO 0.55 -0.62 -0.18 -0.47 0.00 0.00 0.00 175.10 174.38 1sqs s TYR 90 N 1.28 2.20 -1.33 5.22 5.04 -1.05 -4.52 117.35 124.18 1sqs s TYR 90 Ca 0.05 -1.00 -0.08 0.00 -2.44 0.00 0.00 57.07 53.60 1sqs s TYR 90 Cb -0.23 -1.53 0.01 0.00 0.35 0.00 0.00 41.96 40.55 1sqs s TYR 90 CO -0.02 -0.47 1.16 1.28 -1.34 0.00 0.00 175.55 176.17 1sqs n LEU 91 N 3.96 -3.47 -3.33 6.97 7.99 -1.26 -2.93 117.00 124.94 1sqs n LEU 91 Ca -0.20 -0.55 -0.24 0.00 -0.01 0.00 0.00 56.01 55.02 1sqs n LEU 91 Cb 0.52 -3.03 0.02 0.00 -0.11 0.00 0.00 43.42 40.81 1sqs n LEU 91 CO 0.26 0.62 0.01 0.00 -1.51 0.00 0.00 177.39 176.77 1sqs n GLN 92 N -4.89 -4.43 -3.93 3.23 3.00 -1.26 -4.95 117.38 104.16 1sqs n GLN 92 Ca -0.02 0.66 -0.08 0.00 -0.01 0.00 0.00 57.00 57.55 1sqs n GLN 92 Cb 0.57 -5.47 -0.03 0.00 0.00 0.00 0.00 30.24 25.31 1sqs n GLN 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1sqs s ASN 93 N -2.82 -0.13 0.85 1.08 3.84 -1.15 -4.65 114.94 111.96 1sqs s ASN 93 Ca 0.41 -0.81 -0.11 0.00 0.21 0.00 0.00 52.86 52.56 1sqs s ASN 93 Cb -0.20 0.67 0.10 0.00 -0.55 0.00 0.00 41.25 41.27 1sqs s ASN 93 CO 0.51 -1.28 1.10 0.68 -2.79 0.00 0.00 177.10 175.32 1sqs s VAL 94 N -3.83 2.87 0.86 -5.21 -7.23 -1.26 -2.51 120.40 104.08 1sqs s VAL 94 Ca 0.17 0.28 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 1sqs s VAL 94 Cb -0.03 -2.69 0.11 0.00 0.56 0.00 0.00 36.38 34.32 1sqs s VAL 94 CO 0.09 -0.37 1.09 -0.94 -0.31 0.00 0.00 175.10 174.66 1sqs s SER 95 N -3.27 3.82 0.18 4.85 1.04 -1.24 -4.78 113.70 114.30 1sqs s SER 95 Ca 0.63 1.44 -0.13 0.00 0.48 0.00 0.00 55.95 58.37 1sqs s SER 95 Cb -0.18 -2.14 0.15 0.00 0.10 0.00 0.00 66.02 63.95 1sqs s SER 95 CO 0.57 -2.41 1.75 0.58 0.98 0.00 0.00 173.24 174.71 1sqs h VAL 96 N -1.39 0.85 0.00 5.02 2.07 -1.95 -0.91 116.25 119.94 1sqs h VAL 96 Ca -0.48 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1sqs h VAL 96 Cb 1.28 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1sqs h VAL 96 CO 0.56 0.06 -0.44 0.44 0.02 0.00 0.00 177.57 178.21 1sqs h ASP 97 N 0.35 0.00 -0.21 0.57 3.32 -1.93 -0.79 116.42 117.73 1sqs h ASP 97 Ca 0.23 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 1sqs h ASP 97 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1sqs h ASP 97 CO -0.23 0.44 -0.31 0.74 -1.72 0.00 0.00 179.24 178.17 1sqs h THR 98 N 0.00 1.33 -0.57 0.35 2.02 -1.60 -0.59 112.91 113.85 1sqs h THR 98 Ca -0.00 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 1sqs h THR 98 Cb 0.85 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 1sqs h THR 98 CO 0.06 0.47 0.23 0.50 0.37 0.00 0.00 175.52 177.15 1sqs h LYS 99 N 0.27 0.82 -0.56 6.66 1.63 -0.96 -2.01 116.57 122.42 1sqs h LYS 99 Ca 0.02 -0.12 -0.10 0.00 -0.85 0.00 0.00 60.65 59.60 1sqs h LYS 99 Cb 0.89 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1sqs h LYS 99 CO 0.07 0.68 -0.02 -0.97 -3.45 0.00 0.00 179.45 175.75 1sqs h ASN 100 N 0.82 1.00 -0.46 4.20 -1.24 -0.89 0.08 115.58 119.09 1sqs h ASN 100 Ca 0.20 -0.32 0.03 0.00 0.71 0.00 0.00 56.30 56.92 1sqs h ASN 100 Cb 0.16 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.90 1sqs h ASN 100 CO -0.02 1.07 0.25 0.15 -1.29 0.00 0.00 177.43 177.59 1sqs h PHE 101 N 0.90 0.45 -0.48 0.67 3.57 -0.71 0.43 116.94 121.77 1sqs h PHE 101 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1sqs h PHE 101 Cb 0.58 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1sqs h PHE 101 CO 0.04 0.24 0.19 0.82 -2.23 0.00 0.00 178.31 177.38 1sqs h ILE 102 N 0.49 1.21 -0.37 1.41 2.04 -1.09 -2.82 117.51 118.37 1sqs h ILE 102 Ca 0.19 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1sqs h ILE 102 Cb 0.07 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1sqs h ILE 102 CO -0.12 0.24 -0.11 -0.33 0.00 0.00 0.00 178.15 177.83 1sqs h GLU 103 N 0.64 0.65 0.00 2.37 5.08 -0.59 -2.48 114.58 120.24 1sqs h GLU 103 Ca 0.16 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1sqs h GLU 103 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1sqs h GLU 103 CO -0.01 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.75 1sqs h ARG 104 N 0.60 0.00 -0.36 2.33 2.47 -0.68 -1.09 114.38 117.65 1sqs h ARG 104 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1sqs h ARG 104 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1sqs h ARG 104 CO 0.03 0.00 0.00 0.44 0.56 0.00 0.00 179.97 181.00 1sqs n ILE 105 N -3.04 1.73 0.31 2.04 -5.35 -1.03 -4.59 119.36 109.43 1sqs n ILE 105 Ca -0.01 -1.43 0.17 0.00 -0.27 0.00 0.00 62.75 61.22 1sqs n ILE 105 Cb 0.21 0.10 0.99 0.00 -1.74 0.00 0.00 39.64 39.20 1sqs n ILE 105 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1sqs h GLY 106 N 2.27 0.00 2.00 3.28 0.00 -0.75 -1.26 103.07 108.61 1sqs h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sqs h GLY 106 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.29 1sqs n GLY 107 N -1.12 -0.99 0.87 4.60 0.00 -1.26 -1.07 105.19 106.21 1sqs n GLY 107 Ca -0.03 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1sqs n GLY 107 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sqs n TRP 108 N -2.22 0.22 -0.32 1.61 8.01 -0.47 -4.64 117.44 119.62 1sqs n TRP 108 Ca -0.00 -0.11 0.20 0.00 -1.31 0.00 0.00 57.50 56.28 1sqs n TRP 108 Cb 0.10 0.00 0.40 0.00 -2.01 0.00 0.00 31.31 29.80 1sqs n TRP 108 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1sqs h SER 109 N 3.73 -0.02 -0.23 -0.99 0.02 -1.25 -1.75 113.55 113.07 1sqs h SER 109 Ca 0.00 0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1sqs h SER 109 Cb 0.81 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1sqs h SER 109 CO 0.00 -0.31 -0.00 1.41 -1.14 0.00 0.00 176.83 176.79 1sqs n HIS 110 N -5.31 0.82 0.52 3.45 8.25 -1.26 -4.63 115.22 117.06 1sqs n HIS 110 Ca 0.28 -0.94 0.05 0.00 -0.26 0.00 0.00 57.72 56.85 1sqs n HIS 110 Cb 0.92 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.69 1sqs n HIS 110 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sqs n LEU 111 N -0.69 0.83 -3.96 2.41 4.77 -0.66 -5.01 117.00 114.69 1sqs n LEU 111 Ca 0.21 -0.60 -0.30 0.00 -0.03 0.00 0.00 56.01 55.29 1sqs n LEU 111 Cb 0.87 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.97 1sqs n LEU 111 CO 0.14 0.18 0.04 0.49 -1.33 0.00 0.00 177.39 176.91 1sqs n PHE 112 N -0.87 -2.11 0.46 -1.77 3.72 -1.25 -4.85 117.46 110.79 1sqs n PHE 112 Ca 0.03 0.87 0.11 0.00 -0.05 0.00 0.00 57.45 58.41 1sqs n PHE 112 Cb 0.20 -3.79 0.45 0.00 -0.94 0.00 0.00 39.48 35.39 1sqs n PHE 112 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1sqs n ARG 113 N -4.57 0.15 -0.19 -1.08 1.74 -1.26 -2.22 116.66 109.24 1sqs n ARG 113 Ca -0.01 0.35 0.11 0.00 -0.77 0.00 0.00 57.85 57.53 1sqs n ARG 113 Cb 0.54 -1.77 0.27 0.00 -1.02 0.00 0.00 32.46 30.48 1sqs n ARG 113 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sqs n LEU 114 N -2.05 2.88 -4.74 0.55 4.77 -1.26 -4.94 117.00 112.21 1sqs n LEU 114 Ca 0.03 -1.29 -0.42 0.00 -0.03 0.00 0.00 56.01 54.30 1sqs n LEU 114 Cb 0.24 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1sqs n LEU 114 CO 0.19 0.64 1.13 0.00 -1.33 0.00 0.00 177.39 178.03 1sqs n ALA 115 N 1.10 2.13 0.00 -1.18 0.00 -0.94 -1.20 120.51 120.42 1sqs n ALA 115 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1sqs n ALA 115 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1sqs n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqs n GLY 116 N 1.42 2.18 3.90 0.00 0.00 -1.26 -4.96 105.19 106.46 1sqs n GLY 116 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1sqs n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqs s LYS 117 N -0.55 3.60 -0.16 1.61 1.02 -0.34 -4.85 119.74 120.07 1sqs s LYS 117 Ca 0.00 -0.13 -0.05 0.00 0.02 0.00 0.00 55.97 55.81 1sqs s LYS 117 Cb 0.00 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 1sqs s LYS 117 CO 0.00 0.50 0.01 -0.06 -0.92 0.00 0.00 175.35 174.88 1sqs s PHE 118 N -1.61 3.14 -0.10 3.18 0.40 -1.05 -0.87 117.98 121.07 1sqs s PHE 118 Ca 0.39 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 1sqs s PHE 118 Cb -0.12 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.40 1sqs s PHE 118 CO 0.24 0.11 -0.14 0.08 0.70 0.00 0.00 175.22 176.21 1sqs s VAL 119 N 0.22 3.00 -0.07 -0.44 1.01 0.95 -0.35 120.40 124.71 1sqs s VAL 119 Ca 0.01 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1sqs s VAL 119 Cb -0.13 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 1sqs s VAL 119 CO 0.02 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.75 1sqs s VAL 120 N -0.07 1.95 0.08 2.92 1.01 0.33 -0.62 120.40 126.00 1sqs s VAL 120 Ca -0.03 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1sqs s VAL 120 Cb -0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1sqs s VAL 120 CO 0.04 0.54 -0.18 0.42 0.00 0.00 0.00 175.10 175.92 1sqs s THR 121 N 0.10 2.82 -0.06 3.92 -4.23 -0.90 -1.55 115.64 115.74 1sqs s THR 121 Ca -0.10 -1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1sqs s THR 121 Cb -0.15 -2.24 0.03 0.00 1.34 0.00 0.00 72.50 71.47 1sqs s THR 121 CO 0.06 0.21 0.02 -0.22 -0.54 0.00 0.00 174.62 174.14 1sqs s LEU 122 N -1.82 0.47 -0.01 4.79 2.96 -0.22 -0.86 118.68 123.99 1sqs s LEU 122 Ca 0.16 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 1sqs s LEU 122 Cb -0.11 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 1sqs s LEU 122 CO 0.08 -0.21 -0.19 1.51 -1.32 0.00 0.00 176.35 176.23 1sqs s ASP 123 N 2.01 2.19 -0.11 3.68 1.47 -0.31 -0.75 116.67 124.84 1sqs s ASP 123 Ca 0.05 -0.35 0.01 0.00 1.18 0.00 0.00 52.55 53.43 1sqs s ASP 123 Cb -0.12 -0.24 0.02 0.00 -0.34 0.00 0.00 42.92 42.24 1sqs s ASP 123 CO -0.04 0.22 -0.11 -0.69 0.68 0.00 0.00 175.17 175.22 1sqs s VAL 124 N -0.47 1.23 -0.16 2.11 1.01 -0.79 -0.94 120.40 122.39 1sqs s VAL 124 Ca 0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1sqs s VAL 124 Cb -0.07 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1sqs s VAL 124 CO -0.01 0.39 -0.10 0.00 0.00 0.00 0.00 175.10 175.38 1sqs s ALA 125 N 1.28 2.69 -1.30 5.51 0.00 -0.25 -0.05 121.76 129.63 1sqs s ALA 125 Ca -0.02 -0.96 0.30 0.00 0.00 0.00 0.00 51.96 51.28 1sqs s ALA 125 Cb -0.14 -1.36 1.37 0.00 0.00 0.00 0.00 23.12 22.99 1sqs s ALA 125 CO -0.04 0.06 1.97 -1.91 0.00 0.00 0.00 175.76 175.84 1sqs n GLU 126 N 3.86 0.31 -4.38 0.00 4.07 -1.26 -2.38 120.64 120.86 1sqs n GLU 126 Ca -0.18 -0.02 -0.24 0.00 -0.06 0.00 0.00 57.16 56.65 1sqs n GLU 126 Cb 0.52 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 30.29 1sqs n GLU 126 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1sqs s SER 127 N -2.71 3.08 -1.12 4.31 0.01 -1.26 -4.58 113.70 111.44 1sqs s SER 127 Ca 0.23 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.54 1sqs s SER 127 Cb 0.20 -0.21 0.28 0.00 0.21 0.00 0.00 66.02 66.50 1sqs s SER 127 CO 0.49 0.04 1.20 -3.20 0.41 0.00 0.00 173.24 172.19 1sqs n ASN 128 N 0.23 5.70 0.00 2.44 2.85 -1.26 -4.55 115.26 120.67 1sqs n ASN 128 Ca -0.12 -3.11 0.00 0.00 -0.11 0.00 0.00 54.58 51.23 1sqs n ASN 128 Cb 0.57 -1.36 0.00 0.00 1.24 0.00 0.00 39.78 40.22 1sqs n ASN 128 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sqs n GLY 129 N 2.44 4.90 2.98 8.20 0.00 -1.26 -5.14 105.19 117.32 1sqs n GLY 129 Ca 0.25 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.41 1sqs n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sqs s SER 130 N 0.83 1.32 0.21 1.61 0.15 -1.26 -5.14 113.70 111.41 1sqs s SER 130 Ca 0.00 -0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.23 1sqs s SER 130 Cb 0.00 -0.50 0.04 0.00 -1.71 0.00 0.00 66.02 63.85 1sqs s SER 130 CO 0.00 0.03 0.62 1.51 1.20 0.00 0.00 173.24 176.60 1sqs s ASP 131 N 0.50 -0.40 -0.24 5.45 -4.77 -1.26 -4.86 116.67 111.08 1sqs s ASP 131 Ca -0.09 -0.30 0.11 0.00 -3.30 0.00 0.00 52.55 48.97 1sqs s ASP 131 Cb -0.12 0.64 0.44 0.00 -1.09 0.00 0.00 42.92 42.79 1sqs s ASP 131 CO 0.01 -1.11 1.20 0.59 0.70 0.00 0.00 175.17 176.56 1sqs n ASN 132 N -0.40 3.16 -0.10 2.11 5.03 -1.26 -4.83 115.26 118.97 1sqs n ASN 132 Ca -0.11 -3.64 -0.10 0.00 0.87 0.00 0.00 54.58 51.60 1sqs n ASN 132 Cb 0.62 -0.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.94 1sqs n ASN 132 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1sqs h VAL 133 N 2.09 1.16 -0.82 2.41 2.07 -1.96 -1.25 116.25 119.95 1sqs h VAL 133 Ca 0.15 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1sqs h VAL 133 Cb 1.31 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1sqs h VAL 133 CO 0.37 0.17 0.48 0.77 0.02 0.00 0.00 177.57 179.37 1sqs h SER 134 N 0.36 1.00 -0.65 0.57 4.64 -1.97 -1.04 113.55 116.46 1sqs h SER 134 Ca 0.11 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.28 1sqs h SER 134 Cb 0.13 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1sqs h SER 134 CO -0.01 0.78 0.11 -0.33 -0.87 0.00 0.00 176.83 176.51 1sqs h GLU 135 N 1.14 1.09 -0.12 4.77 3.07 -1.88 -0.57 114.58 122.08 1sqs h GLU 135 Ca 0.29 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1sqs h GLU 135 Cb -0.02 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1sqs h GLU 135 CO -0.05 0.99 0.05 -0.92 -1.40 0.00 0.00 179.01 177.68 1sqs h TYR 136 N 1.02 0.17 -0.66 4.33 3.20 -0.55 -0.87 116.97 123.61 1sqs h TYR 136 Ca 0.20 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1sqs h TYR 136 Cb 0.43 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1sqs h TYR 136 CO 0.03 0.24 0.29 -0.07 -1.64 0.00 0.00 178.16 177.01 1sqs h LEU 137 N 0.05 0.86 -0.05 2.82 3.38 -1.04 -1.49 115.31 119.83 1sqs h LEU 137 Ca 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sqs h LEU 137 Cb 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1sqs h LEU 137 CO -0.00 0.74 0.03 -0.09 0.09 0.00 0.00 178.44 179.21 1sqs h ARG 138 N 0.93 0.07 -0.31 1.13 2.43 -0.85 -2.07 114.38 115.72 1sqs h ARG 138 Ca 0.23 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1sqs h ARG 138 Cb 0.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1sqs h ARG 138 CO -0.03 0.13 0.18 -0.44 -1.51 0.00 0.00 179.97 178.31 1sqs h ASP 139 N -0.01 0.38 0.33 -3.80 3.32 -0.80 -0.90 116.42 114.93 1sqs h ASP 139 Ca 0.02 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1sqs h ASP 139 Cb 0.08 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1sqs h ASP 139 CO -0.00 0.34 -0.16 0.40 -1.72 0.00 0.00 179.24 178.10 1sqs h ILE 140 N 0.40 0.70 0.00 0.35 1.08 -1.24 -1.05 117.51 117.75 1sqs h ILE 140 Ca 0.11 -0.22 -0.08 0.00 -0.39 0.00 0.00 64.86 64.28 1sqs h ILE 140 Cb 0.03 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1sqs h ILE 140 CO -0.02 0.05 -0.39 -0.26 -0.69 0.00 0.00 178.15 176.84 1sqs h PHE 141 N -0.56 0.00 -0.12 1.37 0.04 -1.40 -3.00 116.94 113.28 1sqs h PHE 141 Ca -0.04 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1sqs h PHE 141 Cb 0.41 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1sqs h PHE 141 CO -0.02 0.39 -0.21 1.03 -0.60 0.00 0.00 178.31 178.89 1sqs h SER 142 N 0.00 0.39 0.00 2.17 0.87 -1.12 -1.39 113.55 114.47 1sqs h SER 142 Ca -0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1sqs h SER 142 Cb 0.84 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1sqs h SER 142 CO 0.05 0.86 0.00 0.00 -0.53 0.00 0.00 176.83 177.21 1sqs n TYR 143 N -4.50 0.00 0.00 2.24 4.19 -0.40 -3.78 117.16 114.91 1sqs n TYR 143 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 1sqs n TYR 143 Cb 0.42 -0.24 0.00 0.00 0.49 0.00 0.00 39.34 40.01 1sqs n TYR 143 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1sqs n GLY 145 N 1.94 0.74 3.80 2.98 0.00 -1.17 -4.72 105.19 108.75 1sqs n GLY 145 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1sqs n GLY 145 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sqs s GLY 146 N -1.04 2.42 -0.19 -0.02 0.00 -0.53 -3.27 107.32 104.69 1sqs s GLY 146 Ca 0.00 0.58 -0.18 0.00 0.00 0.00 0.00 44.72 45.12 1sqs s GLY 146 CO 0.00 0.90 0.50 1.62 0.00 0.00 0.00 173.10 176.12 1sqs s GLN 147 N -3.47 4.20 -0.72 2.90 0.74 -0.05 -4.19 119.66 119.08 1sqs s GLN 147 Ca 0.67 0.38 -0.27 0.00 0.05 0.00 0.00 55.36 56.20 1sqs s GLN 147 Cb -0.17 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.41 1sqs s GLN 147 CO 0.25 -0.10 1.39 0.42 -0.55 0.00 0.00 175.29 176.70 1sqs s ILE 148 N 1.49 3.65 0.05 -2.34 -1.09 -1.26 -0.04 121.20 121.66 1sqs s ILE 148 Ca 0.23 0.37 -0.18 0.00 -2.23 0.00 0.00 60.65 58.84 1sqs s ILE 148 Cb -0.15 -4.74 -0.16 0.00 -1.58 0.00 0.00 42.46 35.82 1sqs s ILE 148 CO 0.09 -1.69 1.27 0.25 -1.23 0.00 0.00 174.94 173.63 1sqs h LEU 149 N 13.65 0.58 -7.00 2.97 5.85 -1.22 -3.47 115.31 126.66 1sqs h LEU 149 Ca -0.27 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 57.88 1sqs h LEU 149 Cb 1.07 -0.17 -0.21 0.00 0.37 0.00 0.00 40.66 41.72 1sqs h LEU 149 CO 1.27 1.08 0.40 -2.28 -0.34 0.00 0.00 178.44 178.57 1sqs s HIS 150 N -3.86 -0.48 -0.04 1.25 2.46 -1.22 -5.04 115.29 108.36 1sqs s HIS 150 Ca -0.13 0.77 0.03 0.00 0.47 0.00 0.00 55.06 56.20 1sqs s HIS 150 Cb 0.06 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 1sqs s HIS 150 CO 0.81 -0.47 -0.11 -0.65 -2.47 0.00 0.00 174.74 171.85 1sqs s GLN 151 N -1.37 1.28 -0.13 2.88 -0.21 -1.26 -2.12 119.66 118.74 1sqs s GLN 151 Ca -0.04 -0.39 0.02 0.00 0.02 0.00 0.00 55.36 54.97 1sqs s GLN 151 Cb -0.00 -1.15 0.01 0.00 1.00 0.00 0.00 33.01 32.87 1sqs s GLN 151 CO 0.03 0.12 -0.19 0.08 -2.12 0.00 0.00 175.29 173.22 1sqs s VAL 152 N 0.27 1.80 -0.26 1.09 1.01 -0.04 -4.98 120.40 119.29 1sqs s VAL 152 Ca -0.06 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1sqs s VAL 152 Cb -0.11 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.72 1sqs s VAL 152 CO 0.01 0.50 -0.08 -0.44 0.00 0.00 0.00 175.10 175.09 1sqs s SER 153 N 0.95 4.39 -0.11 3.32 0.01 -1.26 -1.17 113.70 119.83 1sqs s SER 153 Ca -0.06 -1.44 -0.12 0.00 1.31 0.00 0.00 55.95 55.64 1sqs s SER 153 Cb -0.15 -1.50 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 1sqs s SER 153 CO -0.03 -0.22 0.28 -0.63 0.41 0.00 0.00 173.24 173.06 1sqs s ILE 154 N 1.13 5.28 -0.01 1.44 1.01 -0.12 -4.99 121.20 124.94 1sqs s ILE 154 Ca -0.06 0.54 0.02 0.00 0.00 0.00 0.00 60.65 61.15 1sqs s ILE 154 Cb -0.20 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 1sqs s ILE 154 CO -0.06 0.49 -0.08 -0.89 0.00 0.00 0.00 174.94 174.41 1sqs s THR 155 N -0.24 0.62 -0.55 2.92 2.01 -1.26 -1.09 115.64 118.03 1sqs s THR 155 Ca 0.18 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 1sqs s THR 155 Cb -0.14 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 71.87 1sqs s THR 155 CO 0.06 0.18 1.23 0.21 -0.69 0.00 0.00 174.62 175.61 1sqs s ASN 156 N -0.09 6.42 0.00 3.53 2.47 -1.00 -4.92 114.94 121.34 1sqs s ASN 156 Ca 0.02 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.53 1sqs s ASN 156 Cb -0.04 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 1sqs s ASN 156 CO -0.00 -1.48 0.00 -1.54 -3.72 0.00 0.00 177.10 170.35 1sqs n SER 157 N 8.56 0.20 0.09 -4.21 3.41 -1.26 -4.20 113.62 116.21 1sqs n SER 157 Ca 0.10 -0.16 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 1sqs n SER 157 Cb 0.49 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 1sqs n SER 157 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sqs h LEU 158 N 0.00 0.27 -8.51 1.04 3.38 -2.06 -3.42 115.31 106.02 1sqs h LEU 158 Ca 0.00 -0.28 -0.71 0.00 0.09 0.00 0.00 57.88 56.98 1sqs h LEU 158 Cb 0.00 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 40.45 1sqs h LEU 158 CO 0.00 1.21 -0.46 -0.75 0.09 0.00 0.00 178.44 178.53 1sqs s LYS 159 N -2.71 3.03 -0.40 1.13 2.20 -1.26 -5.04 119.74 116.69 1sqs s LYS 159 Ca -0.02 -0.96 -0.24 0.00 -0.36 0.00 0.00 55.97 54.39 1sqs s LYS 159 Cb 0.08 -3.88 0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1sqs s LYS 159 CO 0.86 -0.68 0.82 0.34 -0.36 0.00 0.00 175.35 176.33 1sqs s ASP 160 N 1.66 6.53 -0.01 1.43 3.68 -1.26 -4.87 116.67 123.83 1sqs s ASP 160 Ca 0.04 0.25 0.01 0.00 2.13 0.00 0.00 52.55 54.99 1sqs s ASP 160 Cb -0.19 -2.41 0.02 0.00 -1.45 0.00 0.00 42.92 38.89 1sqs s ASP 160 CO 0.09 -0.83 0.99 2.30 0.13 0.00 0.00 175.17 177.85 1sqs n ILE 161 N 5.97 1.01 -0.14 4.11 -5.35 -1.26 -4.83 119.36 118.87 1sqs n ILE 161 Ca 0.04 -1.03 -0.04 0.00 -0.27 0.00 0.00 62.75 61.44 1sqs n ILE 161 Cb 0.48 0.48 0.02 0.00 -1.74 0.00 0.00 39.64 38.88 1sqs n ILE 161 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sqs h ALA 162 N 0.00 0.16 -0.30 -1.28 0.00 -1.94 -0.23 119.26 115.67 1sqs h ALA 162 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1sqs h ALA 162 Cb 0.55 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1sqs h ALA 162 CO 0.00 -0.54 0.10 0.93 0.00 0.00 0.00 179.25 179.74 1sqs h GLU 163 N -0.10 0.23 -0.97 0.00 4.39 -2.00 -0.95 114.58 115.18 1sqs h GLU 163 Ca 0.22 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.91 1sqs h GLU 163 Cb 0.43 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 1sqs h GLU 163 CO -0.52 0.15 0.62 0.00 -1.16 0.00 0.00 179.01 178.10 1sqs h ALA 164 N 1.19 1.28 -0.54 3.43 0.00 -1.77 -2.53 119.26 120.31 1sqs h ALA 164 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sqs h ALA 164 Cb 0.10 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1sqs h ALA 164 CO -0.14 0.65 0.22 1.96 0.00 0.00 0.00 179.25 181.94 1sqs h GLN 165 N 1.32 0.81 -1.60 0.00 4.20 -0.42 -1.33 115.11 118.10 1sqs h GLN 165 Ca 0.35 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1sqs h GLN 165 Cb -0.13 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.52 1sqs h GLN 165 CO -0.07 0.71 0.00 1.28 -0.67 0.00 0.00 178.83 180.08 1sqs n LEU 166 N -4.51 1.35 0.00 1.46 4.77 -0.42 -1.80 117.00 117.85 1sqs n LEU 166 Ca 0.03 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1sqs n LEU 166 Cb 0.16 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1sqs n LEU 166 CO 0.38 0.23 0.00 1.21 -1.33 0.00 0.00 177.39 177.88 1sqs n GLU 168 N 0.85 0.00 0.00 3.23 2.13 -0.50 -1.16 120.64 125.19 1sqs n GLU 168 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1sqs n GLU 168 Cb 0.21 0.00 0.14 0.00 0.27 0.00 0.00 31.44 32.07 1sqs n GLU 168 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sqs h ALA 169 N 0.00 0.95 -0.67 4.31 0.00 -1.62 -2.84 119.26 119.38 1sqs h ALA 169 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1sqs h ALA 169 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1sqs h ALA 169 CO 0.00 0.62 0.10 1.15 0.00 0.00 0.00 179.25 181.12 1sqs h THR 170 N 0.45 1.26 -0.73 0.00 2.02 -1.42 -1.67 112.91 112.82 1sqs h THR 170 Ca 0.05 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 1sqs h THR 170 Cb 0.82 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1sqs h THR 170 CO 0.07 0.39 0.36 1.88 0.37 0.00 0.00 175.52 178.59 1sqs h TYR 171 N 1.04 1.04 -0.36 3.16 0.05 -1.80 0.56 116.97 120.65 1sqs h TYR 171 Ca 0.20 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1sqs h TYR 171 Cb 0.45 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1sqs h TYR 171 CO 0.03 0.76 0.15 0.87 -1.05 0.00 0.00 178.16 178.93 1sqs h LYS 172 N 1.02 0.54 -0.70 4.88 1.79 -1.27 -2.01 116.57 120.82 1sqs h LYS 172 Ca 0.25 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1sqs h LYS 172 Cb 0.10 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 1sqs h LYS 172 CO -0.03 0.52 0.41 0.82 -1.08 0.00 0.00 179.45 180.08 1sqs h ILE 173 N 0.44 1.21 -0.24 1.86 2.04 -0.95 -2.55 117.51 119.32 1sqs h ILE 173 Ca 0.12 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1sqs h ILE 173 Cb 0.17 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1sqs h ILE 173 CO -0.01 0.22 -0.04 -0.33 0.00 0.00 0.00 178.15 177.99 1sqs h GLU 174 N 0.96 0.37 0.00 2.37 5.08 -0.65 -0.74 114.58 121.97 1sqs h GLU 174 Ca 0.25 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1sqs h GLU 174 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1sqs h GLU 174 CO -0.04 0.44 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.80 1sqs h ASP 175 N 0.36 0.00 0.19 1.42 5.19 -0.94 0.85 116.42 123.49 1sqs h ASP 175 Ca 0.08 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.22 1sqs h ASP 175 Cb 0.31 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.85 1sqs h ASP 175 CO 0.01 0.17 -1.22 0.58 -3.12 0.00 0.00 179.24 175.66 1sqs h VAL 176 N 0.00 1.33 -0.98 -1.35 2.07 -1.14 0.38 116.25 116.55 1sqs h VAL 176 Ca -0.00 -2.59 0.04 0.00 0.82 0.00 0.00 66.70 64.97 1sqs h VAL 176 Cb 0.32 3.06 -0.06 0.00 -1.52 0.00 0.00 31.29 33.09 1sqs h VAL 176 CO 0.02 0.77 0.64 -0.07 0.02 0.00 0.00 177.57 178.95 1sqs h LEU 177 N -0.11 1.06 -0.00 2.57 4.07 -0.56 -0.76 115.31 121.57 1sqs h LEU 177 Ca -0.22 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1sqs h LEU 177 Cb 1.91 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.42 1sqs h LEU 177 CO 0.20 0.71 0.00 -0.62 -1.08 0.00 0.00 178.44 177.65 1sqs n GLU 178 N -4.47 0.00 -1.48 1.13 1.02 0.24 -4.92 120.64 112.16 1sqs n GLU 178 Ca 0.14 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1sqs n GLU 178 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1sqs n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqs n GLY 179 N 1.45 0.47 0.13 0.62 0.00 -0.29 -4.96 105.19 102.61 1sqs n GLY 179 Ca 0.07 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.31 1sqs n GLY 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqs h LYS 180 N 0.00 0.00 -5.22 1.61 1.57 -0.47 -3.45 116.57 110.61 1sqs h LYS 180 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1sqs h LYS 180 Cb 0.56 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.53 1sqs h LYS 180 CO 0.00 0.00 -0.87 0.42 -0.57 0.00 0.00 179.45 178.43 1sqs s ILE 181 N -3.29 2.10 0.13 1.86 1.01 -1.09 -5.01 121.20 116.92 1sqs s ILE 181 Ca 0.02 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1sqs s ILE 181 Cb 0.09 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1sqs s ILE 181 CO 0.75 0.55 0.01 -1.59 0.00 0.00 0.00 174.94 174.66 1sqs s LYS 182 N 0.74 2.50 0.10 2.79 -2.85 -1.26 -4.76 119.74 117.00 1sqs s LYS 182 Ca -0.09 -0.96 -0.32 0.00 -1.00 0.00 0.00 55.97 53.60 1sqs s LYS 182 Cb -0.16 -2.46 -0.12 0.00 -2.06 0.00 0.00 37.83 33.03 1sqs s LYS 182 CO -0.00 0.50 1.79 0.98 0.10 0.00 0.00 175.35 178.71 1sqs n TYR 183 N 0.19 2.52 -3.91 1.78 9.36 -1.26 -5.00 117.16 120.84 1sqs n TYR 183 Ca -0.10 -0.03 -0.16 0.00 3.32 0.00 0.00 57.90 60.93 1sqs n TYR 183 Cb 0.54 -2.68 -0.16 0.00 -0.63 0.00 0.00 39.34 36.41 1sqs n TYR 183 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1sqs s LYS 184 N 2.47 0.19 0.61 2.98 1.02 -1.26 -5.04 119.74 120.71 1sqs s LYS 184 Ca 0.82 0.06 -0.09 0.00 0.02 0.00 0.00 55.97 56.78 1sqs s LYS 184 Cb -0.55 -0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 36.39 1sqs s LYS 184 CO 0.39 -0.09 0.98 0.95 -0.92 0.00 0.00 175.35 176.66 1sqs s THR 185 N 0.72 4.35 0.37 2.17 -4.23 -1.26 -4.91 115.64 112.86 1sqs s THR 185 Ca -0.07 0.54 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 1sqs s THR 185 Cb -0.10 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 1sqs s THR 185 CO -0.02 -0.89 0.33 0.42 -0.54 0.00 0.00 174.62 173.92 1sqs s THR 186 N -3.11 3.10 0.27 3.99 -4.23 -1.26 -4.99 115.64 109.42 1sqs s THR 186 Ca 0.54 -1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1sqs s THR 186 Cb -0.11 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.87 1sqs s THR 186 CO 0.51 -0.09 1.91 0.44 -0.54 0.00 0.00 174.62 176.84 1sqs h ASP 187 N 1.15 1.00 -0.62 3.99 5.19 -1.98 -0.67 116.42 124.47 1sqs h ASP 187 Ca -0.43 -0.07 0.05 0.00 -0.62 0.00 0.00 57.03 55.97 1sqs h ASP 187 Cb 1.26 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.47 1sqs h ASP 187 CO 0.58 0.78 0.34 0.22 -3.12 0.00 0.00 179.24 178.04 1sqs h TYR 188 N 1.14 0.63 -0.28 4.55 3.20 -1.99 0.12 116.97 124.34 1sqs h TYR 188 Ca 0.29 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 62.04 1sqs h TYR 188 Cb -0.02 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 1sqs h TYR 188 CO 0.01 0.31 -0.38 1.96 -1.64 0.00 0.00 178.16 178.41 1sqs h GLN 189 N 0.64 0.75 -0.28 1.82 4.20 -1.71 -1.99 115.11 118.55 1sqs h GLN 189 Ca 0.28 -0.44 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 1sqs h GLN 189 Cb 0.16 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1sqs h GLN 189 CO -0.17 1.06 -0.18 0.93 -0.67 0.00 0.00 178.83 179.80 1sqs h GLU 190 N 0.50 0.50 -0.48 1.46 4.39 -0.78 -0.05 114.58 120.12 1sqs h GLU 190 Ca 0.03 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.46 1sqs h GLU 190 Cb 0.97 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1sqs h GLU 190 CO 0.09 0.66 -0.12 0.00 -1.16 0.00 0.00 179.01 178.48 1sqs h ARG 191 N 0.45 0.92 -0.74 2.33 3.08 -0.71 -1.38 114.38 118.34 1sqs h ARG 191 Ca 0.08 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1sqs h ARG 191 Cb 0.57 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1sqs h ARG 191 CO 0.04 1.01 0.28 0.00 -1.07 0.00 0.00 179.97 180.23 1sqs h ALA 192 N 0.89 0.96 -0.15 0.04 0.00 -0.91 -1.10 119.26 118.98 1sqs h ALA 192 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sqs h ALA 192 Cb 0.67 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1sqs h ALA 192 CO 0.05 0.60 0.08 -0.92 0.00 0.00 0.00 179.25 179.05 1sqs h TYR 193 N 1.07 0.20 -0.54 0.00 3.20 -0.77 -0.98 116.97 119.15 1sqs h TYR 193 Ca 0.24 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1sqs h TYR 193 Cb 0.23 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1sqs h TYR 193 CO 0.02 0.21 0.02 1.96 -1.64 0.00 0.00 178.16 178.72 1sqs h GLN 194 N 0.14 0.92 -0.29 1.82 1.08 -1.09 -1.32 115.11 116.36 1sqs h GLN 194 Ca 0.05 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1sqs h GLN 194 Cb 0.07 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1sqs h GLN 194 CO -0.01 0.90 0.11 1.15 -0.95 0.00 0.00 178.83 180.03 1sqs h THR 195 N 0.85 1.19 -0.66 -0.54 2.02 -1.03 -2.87 112.91 111.87 1sqs h THR 195 Ca 0.16 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1sqs h THR 195 Cb 0.48 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1sqs h THR 195 CO 0.02 0.20 0.11 -0.07 0.37 0.00 0.00 175.52 176.15 1sqs h LEU 196 N 0.32 1.04 -0.57 2.58 3.38 -1.03 -2.87 115.31 118.16 1sqs h LEU 196 Ca 0.10 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1sqs h LEU 196 Cb 0.20 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1sqs h LEU 196 CO -0.01 1.03 0.24 0.50 0.09 0.00 0.00 178.44 180.29 1sqs h LYS 197 N 1.02 0.43 -0.61 1.13 3.64 -1.10 0.61 116.57 121.68 1sqs h LYS 197 Ca 0.20 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1sqs h LYS 197 Cb 0.43 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1sqs h LYS 197 CO 0.01 0.29 0.15 -0.07 -2.27 0.00 0.00 179.45 177.56 1sqs h LEU 198 N 0.44 0.90 0.32 5.20 3.38 -1.38 -1.17 115.31 123.00 1sqs h LEU 198 Ca 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1sqs h LEU 198 Cb 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sqs h LEU 198 CO -0.25 0.87 -0.16 0.40 0.09 0.00 0.00 178.44 179.40 1sqs h ILE 199 N 0.92 0.42 -0.01 1.22 2.04 -1.14 -3.21 117.51 117.74 1sqs h ILE 199 Ca 0.20 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1sqs h ILE 199 Cb 0.33 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1sqs h ILE 199 CO -0.00 0.10 0.01 -0.07 0.00 0.00 0.00 178.15 178.19 1sqs h LEU 200 N -0.99 0.00 -1.09 1.44 4.07 -0.95 -1.73 115.31 116.07 1sqs h LEU 200 Ca -0.04 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.02 1sqs h LEU 200 Cb 0.49 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.16 1sqs h LEU 200 CO 0.07 0.00 0.62 -0.08 -1.08 0.00 0.00 178.44 177.97 1sqs h GLU 201 N 0.00 0.96 -0.01 1.13 4.81 -1.21 -1.49 114.58 118.77 1sqs h GLU 201 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1sqs h GLU 201 Cb 0.03 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1sqs h GLU 201 CO -0.00 0.63 -0.17 0.09 -0.73 0.00 0.00 179.01 178.83 1sqs n ASN 202 N -4.56 1.13 -4.56 1.04 3.02 -0.66 -4.94 115.26 105.73 1sqs n ASN 202 Ca 0.17 -1.05 -0.28 0.00 -0.03 0.00 0.00 54.58 53.38 1sqs n ASN 202 Cb 0.31 0.08 0.22 0.00 -0.61 0.00 0.00 39.78 39.78 1sqs n ASN 202 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1sqs s TYR 203 N -2.35 1.65 0.47 3.10 2.02 -0.56 -4.96 117.35 116.72 1sqs s TYR 203 Ca 0.29 1.08 -0.23 0.00 -0.37 0.00 0.00 57.07 57.83 1sqs s TYR 203 Cb 0.20 -3.17 -0.07 0.00 -0.40 0.00 0.00 41.96 38.52 1sqs s TYR 203 CO 0.46 -3.51 1.24 0.34 -1.57 0.00 0.00 175.55 172.51 1sqs s ASP 204 N -2.92 5.98 0.59 2.29 2.15 -1.26 -4.89 116.67 118.61 1sqs s ASP 204 Ca 0.67 2.48 0.36 0.00 0.43 0.00 0.00 52.55 56.49 1sqs s ASP 204 Cb -0.22 -2.62 1.94 0.00 -0.30 0.00 0.00 42.92 41.72 1sqs s ASP 204 CO 0.62 -1.06 2.09 0.77 -0.17 0.00 0.00 175.17 177.41 1sqs h SER 205 N 2.03 0.00 -0.37 -0.34 4.64 -1.96 -1.05 113.55 116.49 1sqs h SER 205 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1sqs h SER 205 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1sqs h SER 205 CO 0.60 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.94 1sqs n GLU 206 N -2.84 2.50 -1.96 4.77 -0.58 -1.26 -4.99 120.64 116.28 1sqs n GLU 206 Ca -0.02 -2.06 -0.42 0.00 -0.42 0.00 0.00 57.16 54.23 1sqs n GLU 206 Cb 0.15 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1sqs n GLU 206 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1sqs s HIS 207 N -1.04 3.06 0.25 -0.32 2.46 -0.40 -4.91 115.29 114.40 1sqs s HIS 207 Ca 0.28 0.66 -0.03 0.00 0.47 0.00 0.00 55.06 56.44 1sqs s HIS 207 Cb 0.15 -3.90 0.52 0.00 -0.13 0.00 0.00 32.58 29.22 1sqs s HIS 207 CO 0.20 -3.30 1.70 0.35 -2.47 0.00 0.00 174.74 171.22 1sqs h PHE 208 N 6.86 0.41 -0.15 3.88 3.04 -1.21 -1.94 116.94 127.83 1sqs h PHE 208 Ca -0.43 0.04 -0.21 0.00 3.98 0.00 0.00 57.97 61.35 1sqs h PHE 208 Cb 1.20 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 39.66 1sqs h PHE 208 CO 0.65 -0.04 -0.75 0.93 -2.02 0.00 0.00 178.31 177.09 1sqs h GLU 209 N 0.34 0.72 -1.13 1.11 5.08 -1.83 -1.91 114.58 116.96 1sqs h GLU 209 Ca 0.45 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1sqs h GLU 209 Cb 0.77 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1sqs h GLU 209 CO -0.49 1.19 0.00 1.17 -1.00 0.00 0.00 179.01 179.87 1sqs n LYS 210 N -3.92 0.13 0.00 2.33 4.81 -0.73 -1.45 118.16 119.32 1sqs n LYS 210 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1sqs n LYS 210 Cb 0.73 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.50 1sqs n LYS 210 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1sqs n TYR 212 N 0.72 0.00 -0.06 5.64 4.19 -0.72 -1.03 117.16 125.90 1sqs n TYR 212 Ca 0.00 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.20 1sqs n TYR 212 Cb 0.05 0.00 0.25 0.00 0.49 0.00 0.00 39.34 40.13 1sqs n TYR 212 CO 0.00 0.00 0.00 -1.49 0.91 0.00 0.00 176.86 176.28 1sqs h TRP 213 N 0.00 0.69 0.08 2.98 4.06 -1.53 -0.13 115.95 122.10 1sqs h TRP 213 Ca 0.00 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 1sqs h TRP 213 Cb 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 27.96 1sqs h TRP 213 CO 0.00 0.61 -0.04 0.93 -3.56 0.00 0.00 178.44 176.38 1sqs h GLU 214 N 0.65 -0.11 -0.09 0.49 5.08 -1.34 0.28 114.58 119.53 1sqs h GLU 214 Ca 0.14 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1sqs h GLU 214 Cb 0.30 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1sqs h GLU 214 CO 0.00 0.38 -0.13 0.87 -1.00 0.00 0.00 179.01 179.14 1sqs h LYS 215 N -0.67 0.13 -0.01 2.33 1.79 -1.81 -2.17 116.57 116.17 1sqs h LYS 215 Ca -0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1sqs h LYS 215 Cb 0.54 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1sqs h LYS 215 CO 0.02 0.27 -0.15 1.63 -1.08 0.00 0.00 179.45 180.13 1sqs n LYS 216 N -4.32 0.76 -2.46 3.15 4.76 -0.07 -4.94 118.16 115.05 1sqs n LYS 216 Ca -0.01 -0.33 -0.16 0.00 -2.87 0.00 0.00 58.31 54.93 1sqs n LYS 216 Cb 0.24 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1sqs n LYS 216 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sqs n ARG 217 N -0.83 -1.99 0.22 1.97 1.74 -0.82 -4.90 116.66 112.05 1sqs n ARG 217 Ca 0.14 0.73 0.10 0.00 -0.77 0.00 0.00 57.85 58.05 1sqs n ARG 217 Cb 0.30 -5.10 0.38 0.00 -1.02 0.00 0.00 32.46 27.02 1sqs n ARG 217 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1sqs h LEU 218 N -0.32 0.00 -0.20 0.55 3.38 -1.21 -3.18 115.31 114.32 1sqs h LEU 218 Ca -0.38 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.38 1sqs h LEU 218 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1sqs h LEU 218 CO 0.43 0.22 -0.94 -0.26 0.09 0.00 0.00 178.44 177.98 1sqs h PHE 219 N 0.00 0.36 -0.36 1.13 0.04 -1.90 -3.27 116.94 112.95 1sqs h PHE 219 Ca -0.00 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.51 1sqs h PHE 219 Cb 0.85 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 1sqs h PHE 219 CO 0.00 1.04 0.06 -0.85 -0.60 0.00 0.00 178.31 177.96 1sqs n GLU 220 N -3.65 2.92 -4.18 1.51 0.28 -1.20 -4.88 120.64 111.45 1sqs n GLU 220 Ca -0.05 -1.73 -0.26 0.00 -0.16 0.00 0.00 57.16 54.97 1sqs n GLU 220 Cb 0.84 -1.88 -0.07 0.00 1.43 0.00 0.00 31.44 31.76 1sqs n GLU 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sqs s ALA 221 N -1.95 3.32 -0.26 -1.84 0.00 -1.24 -5.03 121.76 114.77 1sqs s ALA 221 Ca 0.30 -1.36 0.22 0.00 0.00 0.00 0.00 51.96 51.13 1sqs s ALA 221 Cb 0.24 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 22.30 1sqs s ALA 221 CO 0.08 0.45 1.11 -0.91 0.00 0.00 0.00 175.76 176.49 1sqs h ASN 222 N 2.46 0.00 -5.02 0.00 4.21 -1.90 -3.48 115.58 111.85 1sqs h ASN 222 Ca -0.47 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.10 1sqs h ASN 222 Cb 1.21 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.33 1sqs h ASN 222 CO 0.60 0.02 0.26 -0.94 -1.29 0.00 0.00 177.43 176.08 1sqs s SER 223 N -5.50 -0.34 0.15 5.81 1.04 -1.26 -5.02 113.70 108.58 1sqs s SER 223 Ca 0.00 -0.40 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 1sqs s SER 223 Cb 0.09 0.66 0.01 0.00 0.10 0.00 0.00 66.02 66.88 1sqs s SER 223 CO 0.78 -1.18 1.58 0.25 0.98 0.00 0.00 173.24 175.65 1sqs h LEU 224 N 2.00 0.90 -0.68 2.42 5.85 -1.92 -1.68 115.31 122.20 1sqs h LEU 224 Ca -0.24 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 1sqs h LEU 224 Cb 1.26 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1sqs h LEU 224 CO 0.28 1.02 0.19 -0.08 -0.34 0.00 0.00 178.44 179.51 1sqs h GLU 225 N 0.76 1.08 -0.10 1.25 4.81 -1.98 -1.25 114.58 119.15 1sqs h GLU 225 Ca 0.13 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1sqs h GLU 225 Cb 0.60 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1sqs h GLU 225 CO 0.04 0.94 0.06 1.49 -0.73 0.00 0.00 179.01 180.81 1sqs h GLU 226 N 1.01 0.14 -0.50 1.92 4.81 -1.93 -2.22 114.58 117.80 1sqs h GLU 226 Ca 0.22 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.53 1sqs h GLU 226 Cb 0.33 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.60 1sqs h GLU 226 CO -0.00 0.17 -0.02 2.35 -0.73 0.00 0.00 179.01 180.78 1sqs h TRP 227 N 0.08 -0.07 -0.22 0.92 7.01 -0.98 0.18 115.95 122.86 1sqs h TRP 227 Ca 0.04 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1sqs h TRP 227 Cb 0.07 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.22 1sqs h TRP 227 CO -0.05 -0.13 0.13 -0.92 -2.79 0.00 0.00 178.44 174.68 1sqs h TYR 228 N 0.10 0.25 -0.05 2.65 3.20 -0.97 -0.73 116.97 121.41 1sqs h TYR 228 Ca 0.25 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.95 1sqs h TYR 228 Cb 0.39 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1sqs h TYR 228 CO -0.33 0.15 -0.76 1.88 -1.64 0.00 0.00 178.16 177.46 1sqs h TYR 229 N 0.27 0.44 -0.03 -3.82 0.05 -0.92 -1.63 116.97 111.33 1sqs h TYR 229 Ca 0.09 -0.20 -0.16 0.00 0.05 0.00 0.00 58.73 58.50 1sqs h TYR 229 Cb -0.01 -0.06 0.01 0.00 1.01 0.00 0.00 36.73 37.68 1sqs h TYR 229 CO -0.08 0.96 -0.61 0.28 -1.05 0.00 0.00 178.16 177.66 1sqs h VAL 230 N 0.21 1.39 0.00 -2.88 2.07 -0.60 -3.41 116.25 113.03 1sqs h VAL 230 Ca -0.03 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1sqs h VAL 230 Cb 1.34 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1sqs h VAL 230 CO 0.12 0.60 0.00 -0.62 0.02 0.00 0.00 177.57 177.69 1sqs n GLU 231 N -4.19 0.00 0.00 1.57 -0.58 -0.29 -5.09 120.64 112.07 1sqs n GLU 231 Ca -0.10 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1sqs n GLU 231 Cb 0.67 -0.68 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 1sqs n GLU 231 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74