#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqq s LYS 53 N 0.00 4.31 -0.13 0.00 2.20 -1.10 -4.82 119.74 120.19 2bqq s LYS 53 Ca 0.00 1.84 -0.05 0.00 -0.36 0.00 0.00 55.97 57.40 2bqq s LYS 53 Cb 0.00 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2bqq s LYS 53 CO 0.00 -0.52 0.05 0.15 -0.36 0.00 0.00 175.35 174.66 2bqq s LYS 54 N 2.34 3.51 0.06 4.03 1.02 -1.26 0.41 119.74 129.84 2bqq s LYS 54 Ca 0.60 -0.34 -0.02 0.00 0.02 0.00 0.00 55.97 56.23 2bqq s LYS 54 Cb -0.28 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2bqq s LYS 54 CO 0.24 0.51 -0.01 0.14 -0.92 0.00 0.00 175.35 175.32 2bqq s VAL 55 N -0.32 0.21 -0.10 3.17 -7.23 -0.71 0.27 120.40 115.68 2bqq s VAL 55 Ca 0.08 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2bqq s VAL 55 Cb -0.12 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2bqq s VAL 55 CO 0.02 -0.94 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.17 2bqq s ARG 56 N -3.92 3.09 -0.09 4.82 3.52 -0.75 -1.26 118.95 124.36 2bqq s ARG 56 Ca 0.08 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 2bqq s ARG 56 Cb 0.08 -2.62 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 2bqq s ARG 56 CO -0.09 0.43 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.60 2bqq s PHE 57 N -0.18 2.69 0.50 5.12 0.08 0.51 -1.28 117.98 125.41 2bqq s PHE 57 Ca 0.01 -0.58 0.07 0.00 0.12 0.00 0.00 56.93 56.55 2bqq s PHE 57 Cb -0.13 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2bqq s PHE 57 CO 0.03 -0.14 0.41 0.71 -0.10 0.00 0.00 175.22 176.13 2bqq s TYR 58 N -0.01 2.03 -0.03 0.36 1.51 0.60 -1.26 117.35 120.55 2bqq s TYR 58 Ca -0.05 -0.70 0.07 0.00 -1.01 0.00 0.00 57.07 55.38 2bqq s TYR 58 Cb -0.14 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2bqq s TYR 58 CO 0.04 -0.36 -0.25 -0.98 -1.11 0.00 0.00 175.55 172.90 2bqq s ARG 59 N -4.23 2.16 0.07 -0.62 1.70 -1.26 -0.66 118.95 116.11 2bqq s ARG 59 Ca 0.41 -0.88 -0.35 0.00 -0.47 0.00 0.00 55.73 54.44 2bqq s ARG 59 Cb -0.02 -1.99 -0.14 0.00 -0.57 0.00 0.00 34.95 32.22 2bqq s ARG 59 CO 0.25 0.48 1.58 -1.71 -1.08 0.00 0.00 175.30 174.81 2bqq n ASN 60 N 2.64 2.76 0.00 -2.89 5.15 0.09 -2.26 115.26 120.75 2bqq n ASN 60 Ca -0.16 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.89 2bqq n ASN 60 Cb 0.52 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 2bqq n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bqq n GLY 61 N 3.41 0.45 3.32 8.20 0.00 -1.26 -4.92 105.19 114.39 2bqq n GLY 61 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 2bqq n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bqq s ASP 62 N -2.19 6.19 0.26 1.61 -1.08 -0.96 -4.92 116.67 115.57 2bqq s ASP 62 Ca 0.00 -1.74 0.24 0.00 -0.52 0.00 0.00 52.55 50.52 2bqq s ASP 62 Cb 0.00 -2.22 0.97 0.00 -1.46 0.00 0.00 42.92 40.22 2bqq s ASP 62 CO 0.00 -0.87 1.72 0.54 0.52 0.00 0.00 175.17 177.08 2bqq n ARG 63 N 5.32 0.20 -0.09 4.34 1.74 -1.26 -3.90 116.66 123.01 2bqq n ARG 63 Ca -0.14 0.41 -0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2bqq n ARG 63 Cb 0.40 -1.87 -0.11 0.00 -1.02 0.00 0.00 32.46 29.86 2bqq n ARG 63 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2bqq n TYR 64 N -2.25 0.00 -2.02 -1.55 4.01 -1.26 -4.29 117.16 109.80 2bqq n TYR 64 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 2bqq n TYR 64 Cb 0.24 -0.81 -0.03 0.00 -0.31 0.00 0.00 39.34 38.44 2bqq n TYR 64 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2bqq s PHE 65 N -2.41 2.34 -2.04 -0.72 5.36 -1.25 -4.93 117.98 114.33 2bqq s PHE 65 Ca -0.18 0.37 0.10 0.00 -0.96 0.00 0.00 56.93 56.26 2bqq s PHE 65 Cb 0.06 -3.88 0.34 0.00 -0.34 0.00 0.00 43.02 39.20 2bqq s PHE 65 CO 0.58 -3.57 1.26 1.63 -1.46 0.00 0.00 175.22 173.66 2bqq n LYS 66 N 6.15 1.60 0.00 10.12 5.02 -1.26 -4.56 118.16 135.23 2bqq n LYS 66 Ca 0.16 -0.93 0.00 0.00 -2.02 0.00 0.00 58.31 55.52 2bqq n LYS 66 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 2bqq n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bqq n GLY 67 N 0.94 -0.15 3.25 0.72 0.00 -1.26 -4.75 105.19 103.94 2bqq n GLY 67 Ca 0.10 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 2bqq n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bqq s ILE 68 N -2.99 1.70 -0.11 -0.61 -0.00 -0.39 -4.89 121.20 113.90 2bqq s ILE 68 Ca 0.00 -1.09 -0.18 0.00 -0.00 0.00 0.00 60.65 59.38 2bqq s ILE 68 Cb 0.00 -1.45 -0.04 0.00 -0.00 0.00 0.00 42.46 40.97 2bqq s ILE 68 CO 0.00 0.33 0.47 -0.69 -0.00 0.00 0.00 174.94 175.05 2bqq s VAL 69 N -0.67 5.18 -0.07 8.37 1.01 -1.26 -0.37 120.40 132.59 2bqq s VAL 69 Ca 0.08 0.95 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2bqq s VAL 69 Cb -0.09 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2bqq s VAL 69 CO 0.01 0.34 -0.11 -0.31 0.00 0.00 0.00 175.10 175.02 2bqq s TYR 70 N 0.57 2.81 -0.34 5.22 2.02 -0.39 -4.99 117.35 122.24 2bqq s TYR 70 Ca 0.26 -0.19 -0.22 0.00 -0.37 0.00 0.00 57.07 56.55 2bqq s TYR 70 Cb -0.15 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 2bqq s TYR 70 CO 0.10 0.16 0.73 0.00 -1.57 0.00 0.00 175.55 174.97 2bqq s ALA 71 N -0.52 3.47 -0.18 3.71 0.00 -1.26 -1.73 121.76 125.25 2bqq s ALA 71 Ca 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 2bqq s ALA 71 Cb -0.12 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2bqq s ALA 71 CO 0.02 -1.33 -0.05 0.08 0.00 0.00 0.00 175.76 174.48 2bqq s VAL 72 N 2.92 3.58 0.25 0.00 1.01 0.16 -4.93 120.40 123.39 2bqq s VAL 72 Ca 0.29 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 2bqq s VAL 72 Cb -0.14 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2bqq s VAL 72 CO 0.15 0.47 0.65 -0.94 0.00 0.00 0.00 175.10 175.42 2bqq s SER 73 N 0.79 -0.29 0.27 3.32 1.04 -1.26 -2.71 113.70 114.85 2bqq s SER 73 Ca -0.02 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.91 2bqq s SER 73 Cb -0.15 0.67 0.37 0.00 0.10 0.00 0.00 66.02 67.01 2bqq s SER 73 CO 0.02 -1.23 1.67 0.28 0.98 0.00 0.00 173.24 174.96 2bqq h SER 74 N 2.06 0.42 -0.13 7.02 0.02 -1.99 -0.59 113.55 120.35 2bqq h SER 74 Ca -0.23 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 2bqq h SER 74 Cb 1.26 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 2bqq h SER 74 CO 0.29 0.76 -0.07 0.44 -1.14 0.00 0.00 176.83 177.11 2bqq h ASP 75 N 0.34 -0.22 0.90 3.07 3.32 -1.99 -3.29 116.42 118.56 2bqq h ASP 75 Ca 0.04 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2bqq h ASP 75 Cb 0.81 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2bqq h ASP 75 CO 0.06 -0.09 -0.83 0.08 -1.72 0.00 0.00 179.24 176.74 2bqq h ARG 76 N -0.06 0.00 -3.50 3.56 0.11 -1.90 -3.43 114.38 109.16 2bqq h ARG 76 Ca 0.07 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.65 2bqq h ARG 76 Cb 0.17 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 30.85 2bqq h ARG 76 CO -0.17 0.00 -0.76 -0.06 0.10 0.00 0.00 179.97 179.08 2bqq s PHE 77 N -3.26 0.94 -0.71 4.08 0.40 -0.25 -4.98 117.98 114.20 2bqq s PHE 77 Ca 0.03 -0.79 0.24 0.00 -0.60 0.00 0.00 56.93 55.81 2bqq s PHE 77 Cb 0.12 -0.99 0.91 0.00 0.51 0.00 0.00 43.02 43.56 2bqq s PHE 77 CO 0.76 -0.59 1.73 2.89 0.70 0.00 0.00 175.22 180.71 2bqq n ARG 78 N 5.07 0.16 -3.73 0.44 1.85 -1.25 -4.22 116.66 114.98 2bqq n ARG 78 Ca -0.09 0.27 -0.10 0.00 -1.00 0.00 0.00 57.85 56.93 2bqq n ARG 78 Cb 0.47 -1.74 -0.04 0.00 -1.05 0.00 0.00 32.46 30.10 2bqq n ARG 78 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2bqq s SER 79 N -3.98 -0.24 0.15 2.89 1.04 -1.26 -5.03 113.70 107.27 2bqq s SER 79 Ca 0.08 -0.47 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 2bqq s SER 79 Cb 0.12 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 2bqq s SER 79 CO 0.46 -1.01 1.54 0.15 0.98 0.00 0.00 173.24 175.36 2bqq h PHE 80 N 2.24 1.05 0.00 5.02 3.04 -1.94 -2.44 116.94 123.91 2bqq h PHE 80 Ca -0.30 -0.25 -0.04 0.00 3.98 0.00 0.00 57.97 61.37 2bqq h PHE 80 Cb 1.26 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 2bqq h PHE 80 CO 0.35 1.04 -0.18 -0.44 -2.02 0.00 0.00 178.31 177.06 2bqq h ASP 81 N 0.77 0.00 -0.24 0.41 3.32 -1.97 -1.06 116.42 117.64 2bqq h ASP 81 Ca 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2bqq h ASP 81 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2bqq h ASP 81 CO 0.06 0.18 -0.25 0.00 -1.72 0.00 0.00 179.24 177.51 2bqq h ALA 82 N 1.82 0.89 -0.18 3.45 0.00 -1.85 -2.37 119.26 121.03 2bqq h ALA 82 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2bqq h ALA 82 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2bqq h ALA 82 CO 0.02 0.62 0.05 1.25 0.00 0.00 0.00 179.25 181.19 2bqq h LEU 83 N 0.63 0.27 -1.43 0.00 5.85 -1.15 -2.14 115.31 117.35 2bqq h LEU 83 Ca 0.08 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2bqq h LEU 83 Cb 0.75 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2bqq h LEU 83 CO 0.06 0.43 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.35 2bqq h LEU 84 N 0.11 0.15 -0.52 2.25 3.38 -1.16 -0.27 115.31 119.25 2bqq h LEU 84 Ca 0.06 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2bqq h LEU 84 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2bqq h LEU 84 CO 0.00 0.34 -0.33 0.00 0.09 0.00 0.00 178.44 178.54 2bqq h ALA 85 N 1.68 0.71 -0.17 1.53 0.00 -1.36 -0.01 119.26 121.65 2bqq h ALA 85 Ca 0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 2bqq h ALA 85 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bqq h ALA 85 CO 0.03 0.66 -0.71 0.22 0.00 0.00 0.00 179.25 179.45 2bqq h ASP 86 N 0.70 0.85 -0.29 0.00 1.82 -0.69 -2.69 116.42 116.12 2bqq h ASP 86 Ca 0.07 -0.53 -0.08 0.00 -0.39 0.00 0.00 57.03 56.10 2bqq h ASP 86 Cb 0.89 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 2bqq h ASP 86 CO 0.08 1.31 -0.10 -0.07 -1.61 0.00 0.00 179.24 178.85 2bqq h LEU 87 N 0.51 0.68 -0.21 2.28 3.38 -0.93 -1.51 115.31 119.53 2bqq h LEU 87 Ca -0.03 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2bqq h LEU 87 Cb 1.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2bqq h LEU 87 CO 0.14 0.82 0.06 0.74 0.09 0.00 0.00 178.44 180.29 2bqq h THR 88 N 0.64 0.94 -0.58 0.22 2.02 -0.91 0.91 112.91 116.15 2bqq h THR 88 Ca 0.11 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2bqq h THR 88 Cb 0.54 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2bqq h THR 88 CO 0.03 0.03 0.34 0.03 0.37 0.00 0.00 175.52 176.32 2bqq h ARG 89 N 0.16 0.80 0.00 6.66 3.08 -1.18 -1.50 114.38 122.39 2bqq h ARG 89 Ca 0.09 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 2bqq h ARG 89 Cb 0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2bqq h ARG 89 CO -0.10 0.59 -0.83 0.66 -1.07 0.00 0.00 179.97 179.22 2bqq h SER 90 N 0.79 0.00 0.00 7.04 4.64 -0.98 -3.38 113.55 121.66 2bqq h SER 90 Ca 0.21 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.30 2bqq h SER 90 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2bqq h SER 90 CO -0.04 0.70 -2.07 0.18 -0.87 0.00 0.00 176.83 174.74 2bqq n LEU 91 N -3.22 0.00 -4.77 5.97 4.77 0.29 -5.00 117.00 115.03 2bqq n LEU 91 Ca -0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 2bqq n LEU 91 Cb 0.83 0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 42.19 2bqq n LEU 91 CO 0.43 0.30 0.76 -0.44 -1.33 0.00 0.00 177.39 177.12 2bqq s SER 92 N -4.80 6.81 0.00 -1.43 0.01 -0.57 -4.88 113.70 108.84 2bqq s SER 92 Ca -0.08 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2bqq s SER 92 Cb 0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2bqq s SER 92 CO 0.70 -0.46 0.00 -0.90 0.41 0.00 0.00 173.24 172.99 2bqq n ASP 93 N 0.20 0.00 0.29 2.44 5.68 -0.71 -4.96 116.55 119.49 2bqq n ASP 93 Ca 0.04 -0.39 0.17 0.00 -0.50 0.00 0.00 54.79 54.11 2bqq n ASP 93 Cb 0.48 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.29 2bqq n ASP 93 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2bqq h ASN 94 N 0.00 0.00 0.00 -1.12 -1.07 -1.97 -3.01 115.58 108.41 2bqq h ASN 94 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bqq h ASN 94 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2bqq h ASN 94 CO 0.00 0.05 -0.26 -0.38 0.07 0.00 0.00 177.43 176.90 2bqq n ILE 95 N -3.25 0.00 -4.90 6.14 2.08 -1.26 -5.01 119.36 113.16 2bqq n ILE 95 Ca -0.01 -0.39 -0.27 0.00 0.56 0.00 0.00 62.75 62.64 2bqq n ILE 95 Cb 0.23 0.94 -0.16 0.00 -0.75 0.00 0.00 39.64 39.90 2bqq n ILE 95 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 2bqq s ASN 96 N -1.43 2.32 -0.36 4.38 0.01 -1.14 -4.88 114.94 113.84 2bqq s ASN 96 Ca 0.01 -0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 2bqq s ASN 96 Cb 0.02 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 40.99 2bqq s ASN 96 CO 0.13 0.16 0.37 0.18 -1.51 0.00 0.00 177.10 176.43 2bqq n LEU 97 N 3.18 -4.80 0.29 0.60 4.77 -1.26 -1.73 117.00 118.05 2bqq n LEU 97 Ca -0.18 0.05 0.19 0.00 -0.03 0.00 0.00 56.01 56.04 2bqq n LEU 97 Cb 0.53 -2.28 0.96 0.00 -2.33 0.00 0.00 43.42 40.29 2bqq n LEU 97 CO 0.25 -0.79 1.08 1.55 -1.33 0.00 0.00 177.39 178.15 2bqq h PRO 98 N 0.47 0.00 -0.02 3.23 0.13 -1.90 -1.98 132.00 131.93 2bqq h PRO 98 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2bqq h PRO 98 Cb 0.89 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.95 2bqq h PRO 98 CO 0.15 0.00 -0.58 1.04 -0.23 0.00 0.00 178.00 178.38 2bqq n GLN 99 N -2.96 1.43 0.00 0.86 3.00 -1.26 -5.11 117.38 113.34 2bqq n GLN 99 Ca -0.01 -3.16 0.00 0.00 -0.01 0.00 0.00 57.00 53.81 2bqq n GLN 99 Cb 0.15 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 28.96 2bqq n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bqq n GLY 100 N -0.90 -0.71 3.56 1.08 0.00 -0.75 -4.59 105.19 102.88 2bqq n GLY 100 Ca 0.18 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 2bqq n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bqq s VAL 101 N 0.00 4.62 -0.08 1.61 1.01 -1.26 -3.06 120.40 123.24 2bqq s VAL 101 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.70 2bqq s VAL 101 Cb 0.00 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 2bqq s VAL 101 CO 0.00 -0.66 0.11 0.54 0.00 0.00 0.00 175.10 175.09 2bqq n ARG 102 N 6.77 2.80 -3.91 2.72 1.74 0.05 -4.76 116.66 122.06 2bqq n ARG 102 Ca 0.04 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 2bqq n ARG 102 Cb 0.48 -0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 30.92 2bqq n ARG 102 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2bqq s TYR 103 N -1.82 0.10 -0.08 -1.55 1.51 -0.61 -5.01 117.35 109.89 2bqq s TYR 103 Ca -0.00 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2bqq s TYR 103 Cb 0.02 -0.08 0.01 0.00 -0.11 0.00 0.00 41.96 41.80 2bqq s TYR 103 CO 0.15 -0.16 -0.13 0.42 -1.11 0.00 0.00 175.55 174.72 2bqq s ILE 104 N -0.93 1.23 0.19 2.71 1.01 -1.26 -0.92 121.20 123.23 2bqq s ILE 104 Ca -0.10 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.12 2bqq s ILE 104 Cb -0.06 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 2bqq s ILE 104 CO -0.00 0.38 -0.08 -0.31 0.00 0.00 0.00 174.94 174.93 2bqq s TYR 105 N 0.74 2.65 0.87 3.97 2.02 0.31 -0.16 117.35 127.76 2bqq s TYR 105 Ca -0.13 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.25 2bqq s TYR 105 Cb -0.16 -1.28 0.12 0.00 -0.40 0.00 0.00 41.96 40.24 2bqq s TYR 105 CO 0.03 0.53 1.14 0.95 -1.57 0.00 0.00 175.55 176.63 2bqq s THR 106 N -1.78 2.29 0.50 -0.71 -4.23 -0.51 -0.55 115.64 110.65 2bqq s THR 106 Ca 0.26 0.10 0.19 0.00 -1.18 0.00 0.00 61.69 61.05 2bqq s THR 106 Cb -0.09 -2.25 0.33 0.00 1.34 0.00 0.00 72.50 71.83 2bqq s THR 106 CO 0.16 -0.12 2.05 -0.29 -0.54 0.00 0.00 174.62 175.88 2bqq h ILE 107 N -1.59 0.89 -0.65 2.99 6.09 -1.91 -0.19 117.51 123.13 2bqq h ILE 107 Ca -0.44 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2bqq h ILE 107 Cb 1.27 0.76 0.00 0.00 0.47 0.00 0.00 36.82 39.32 2bqq h ILE 107 CO 0.44 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.64 2bqq n ASP 108 N -4.46 4.28 -1.90 2.19 5.75 -1.26 -4.96 116.55 116.19 2bqq n ASP 108 Ca 0.05 -2.27 -0.20 0.00 -0.01 0.00 0.00 54.79 52.35 2bqq n ASP 108 Cb 0.34 -0.53 -0.06 0.00 -1.03 0.00 0.00 41.12 39.84 2bqq n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqq n GLY 109 N 1.30 1.03 0.17 6.12 0.00 -0.08 -4.90 105.19 108.82 2bqq n GLY 109 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 2bqq n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bqq h SER 110 N 0.00 0.18 -5.05 1.61 4.64 -1.93 -3.47 113.55 109.52 2bqq h SER 110 Ca -0.44 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 60.80 2bqq h SER 110 Cb 1.34 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.30 2bqq h SER 110 CO 0.60 0.70 0.14 0.00 -0.87 0.00 0.00 176.83 177.40 2bqq s ARG 111 N -3.82 1.59 0.09 4.77 1.70 -1.26 -5.06 118.95 116.97 2bqq s ARG 111 Ca -0.03 -0.91 -0.05 0.00 -0.47 0.00 0.00 55.73 54.27 2bqq s ARG 111 Cb 0.13 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 35.02 2bqq s ARG 111 CO 0.78 -0.71 0.32 0.15 -1.08 0.00 0.00 175.30 174.76 2bqq s LYS 112 N -3.89 3.58 -0.23 3.89 1.02 -1.26 -1.43 119.74 121.42 2bqq s LYS 112 Ca 0.10 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.87 2bqq s LYS 112 Cb -0.03 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 2bqq s LYS 112 CO 0.02 0.54 0.11 0.42 -0.92 0.00 0.00 175.35 175.53 2bqq s ILE 113 N -1.53 4.94 -0.73 2.17 -1.09 0.78 -4.92 121.20 120.81 2bqq s ILE 113 Ca 0.36 0.03 0.11 0.00 -2.23 0.00 0.00 60.65 58.92 2bqq s ILE 113 Cb -0.13 -3.29 -0.07 0.00 -1.58 0.00 0.00 42.46 37.40 2bqq s ILE 113 CO 0.23 0.37 0.55 0.61 -1.23 0.00 0.00 174.94 175.47 2bqq n GLY 114 N 4.31 -0.06 3.29 6.18 0.00 -1.26 -4.33 105.19 113.31 2bqq n GLY 114 Ca -0.16 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 2bqq n GLY 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bqq s SER 115 N -1.78 -0.18 0.47 1.61 1.04 -1.26 -5.00 113.70 108.60 2bqq s SER 115 Ca 0.06 -0.27 0.13 0.00 0.48 0.00 0.00 55.95 56.35 2bqq s SER 115 Cb 0.09 0.43 1.07 0.00 0.10 0.00 0.00 66.02 67.70 2bqq s SER 115 CO 0.37 -0.76 2.07 0.24 0.98 0.00 0.00 173.24 176.14 2bqq h MET 116 N 2.69 0.13 0.00 4.02 0.00 -1.96 -2.77 114.93 117.04 2bqq h MET 116 Ca -0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 59.70 59.35 2bqq h MET 116 Cb 1.23 -0.03 -0.00 0.00 0.00 0.00 0.00 31.60 32.80 2bqq h MET 116 CO 0.47 0.16 -0.04 -0.44 0.00 0.00 0.00 176.91 177.06 2bqq h ASP 117 N 0.13 0.00 1.66 1.22 3.45 -2.02 -1.43 116.42 119.44 2bqq h ASP 117 Ca 0.03 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 2bqq h ASP 117 Cb 0.11 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2bqq h ASP 117 CO 0.00 0.04 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.28 2bqq h GLU 118 N 0.00 0.00 -6.53 3.56 5.08 -1.91 -3.45 114.58 111.32 2bqq h GLU 118 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2bqq h GLU 118 Cb 0.39 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.67 2bqq h GLU 118 CO 0.01 0.10 0.93 -0.51 -1.00 0.00 0.00 179.01 178.53 2bqq s LEU 119 N -6.29 4.37 -0.12 1.33 1.43 -0.54 -5.00 118.68 113.85 2bqq s LEU 119 Ca 0.05 2.55 -0.01 0.00 -1.03 0.00 0.00 54.13 55.69 2bqq s LEU 119 Cb 0.07 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 2bqq s LEU 119 CO 0.66 -0.85 -0.08 -1.61 0.23 0.00 0.00 176.35 174.70 2bqq s GLU 120 N 1.80 3.35 -0.18 1.70 0.41 -1.26 -5.05 118.70 119.47 2bqq s GLU 120 Ca 0.72 -0.59 -0.39 0.00 -0.41 0.00 0.00 54.97 54.30 2bqq s GLU 120 Cb -0.42 -2.73 -0.15 0.00 -1.78 0.00 0.00 34.13 29.05 2bqq s GLU 120 CO 0.32 0.33 1.69 -1.91 -0.49 0.00 0.00 175.26 175.19 2bqq n GLU 121 N 3.22 1.29 -0.64 1.61 4.07 -1.26 -1.18 120.64 127.74 2bqq n GLU 121 Ca -0.18 0.47 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 2bqq n GLU 121 Cb 0.53 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 29.74 2bqq n GLU 121 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bqq n GLY 122 N 3.91 1.12 3.97 8.31 0.00 0.14 -5.00 105.19 117.63 2bqq n GLY 122 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 2bqq n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bqq s GLU 123 N -0.23 2.81 0.13 1.61 2.02 -0.33 -4.87 118.70 119.84 2bqq s GLU 123 Ca 0.00 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.30 2bqq s GLU 123 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 2bqq s GLU 123 CO 0.00 -0.44 -0.03 -1.12 0.02 0.00 0.00 175.26 173.69 2bqq s SER 124 N -4.32 4.72 0.02 -0.19 0.01 -1.26 -1.81 113.70 110.87 2bqq s SER 124 Ca 0.53 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 2bqq s SER 124 Cb -0.10 -1.01 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 2bqq s SER 124 CO 0.37 0.14 0.05 -0.31 0.41 0.00 0.00 173.24 173.90 2bqq s TYR 125 N -1.46 0.21 -0.20 2.43 2.02 -0.41 -3.35 117.35 116.60 2bqq s TYR 125 Ca 0.25 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2bqq s TYR 125 Cb -0.10 -0.15 0.01 0.00 -0.40 0.00 0.00 41.96 41.31 2bqq s TYR 125 CO 0.17 -0.28 -0.14 0.08 -1.57 0.00 0.00 175.55 173.82 2bqq s VAL 126 N -1.93 2.55 0.07 0.71 1.01 0.29 -0.29 120.40 122.81 2bqq s VAL 126 Ca -0.11 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 2bqq s VAL 126 Cb -0.06 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 2bqq s VAL 126 CO -0.02 0.46 0.48 0.00 0.00 0.00 0.00 175.10 176.02 2bqq s SER 128 N -1.40 0.07 0.33 0.00 0.15 -0.09 -0.73 113.70 112.03 2bqq s SER 128 Ca 0.30 -0.19 0.18 0.00 0.70 0.00 0.00 55.95 56.94 2bqq s SER 128 Cb -0.16 0.15 0.16 0.00 -1.71 0.00 0.00 66.02 64.46 2bqq s SER 128 CO 0.17 -0.23 1.47 0.28 1.20 0.00 0.00 173.24 176.13 2bqq h SER 129 N 4.98 0.00 -2.92 5.45 0.02 -1.84 0.44 113.55 119.68 2bqq h SER 129 Ca -0.29 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.06 2bqq h SER 129 Cb 1.20 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.66 2bqq h SER 129 CO 0.42 0.29 -0.58 1.51 -1.14 0.00 0.00 176.83 177.34 2bqq s ASP 130 N -6.30 5.52 -0.07 3.07 1.47 -1.26 -4.68 116.67 114.42 2bqq s ASP 130 Ca 0.05 -0.08 -0.02 0.00 1.18 0.00 0.00 52.55 53.68 2bqq s ASP 130 Cb 0.07 -1.46 -0.06 0.00 -0.34 0.00 0.00 42.92 41.13 2bqq s ASP 130 CO 0.72 0.11 2.61 -3.20 0.68 0.00 0.00 175.17 176.10 2bqq n ASN 131 N 0.01 5.54 -3.66 2.11 5.15 -1.26 -4.76 115.26 118.39 2bqq n ASN 131 Ca -0.08 -2.58 -0.13 0.00 -0.60 0.00 0.00 54.58 51.19 2bqq n ASN 131 Cb 0.53 -1.23 -0.06 0.00 -0.53 0.00 0.00 39.78 38.49 2bqq n ASN 131 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2bqq s PHE 132 N -0.02 -0.29 -0.16 1.20 -0.71 -1.26 -5.16 117.98 111.58 2bqq s PHE 132 Ca 0.31 0.31 -0.05 0.00 -1.04 0.00 0.00 56.93 56.46 2bqq s PHE 132 Cb 0.17 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 2bqq s PHE 132 CO -0.02 -0.56 0.01 0.12 -1.34 0.00 0.00 175.22 173.43 2bqq s PHE 133 N -2.26 3.13 -0.42 3.49 5.36 -1.26 -4.99 117.98 121.03 2bqq s PHE 133 Ca -0.07 -0.09 -0.21 0.00 -0.96 0.00 0.00 56.93 55.60 2bqq s PHE 133 Cb -0.01 -1.98 0.02 0.00 -0.34 0.00 0.00 43.02 40.70 2bqq s PHE 133 CO -0.01 0.10 0.67 -0.51 -1.46 0.00 0.00 175.22 174.01 2bqq s ASP 134 N 0.21 6.36 -1.46 6.13 1.01 -1.26 -4.98 116.67 122.68 2bqq s ASP 134 Ca 0.01 -0.19 -0.09 0.00 0.71 0.00 0.00 52.55 52.98 2bqq s ASP 134 Cb -0.13 -2.33 0.03 0.00 1.01 0.00 0.00 42.92 41.50 2bqq s ASP 134 CO 0.02 -0.77 2.51 -0.67 0.21 0.00 0.00 175.17 176.47 2bqq n ASP 135 N 6.31 7.20 -4.97 0.27 2.03 -1.26 -4.29 116.55 121.84 2bqq n ASP 135 Ca -0.01 -2.86 -0.21 0.00 0.52 0.00 0.00 54.79 52.23 2bqq n ASP 135 Cb 0.48 -1.51 0.01 0.00 -0.72 0.00 0.00 41.12 39.39 2bqq n ASP 135 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2bqq s VAL 136 N 1.11 3.68 -0.94 5.18 -7.23 -1.26 -5.04 120.40 115.90 2bqq s VAL 136 Ca 0.57 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.78 2bqq s VAL 136 Cb 0.16 -3.33 -0.00 0.00 0.56 0.00 0.00 36.38 33.78 2bqq s VAL 136 CO -0.07 -0.19 1.70 -1.61 -0.31 0.00 0.00 175.10 174.63 2bqq s GLU 137 N -4.47 3.04 0.51 4.82 2.02 -1.26 -5.01 118.70 118.36 2bqq s GLU 137 Ca 0.50 -0.63 -0.21 0.00 0.02 0.00 0.00 54.97 54.64 2bqq s GLU 137 Cb -0.10 -5.15 -0.06 0.00 0.10 0.00 0.00 34.13 28.92 2bqq s GLU 137 CO 0.36 -2.80 1.19 0.71 0.02 0.00 0.00 175.26 174.74 2bqq s TYR 138 N 7.64 2.67 0.14 1.61 2.02 -1.26 -4.64 117.35 125.52 2bqq s TYR 138 Ca 0.58 1.51 0.05 0.00 -0.37 0.00 0.00 57.07 58.84 2bqq s TYR 138 Cb -0.04 -3.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.04 2bqq s TYR 138 CO -0.04 -1.83 -0.10 0.95 -1.57 0.00 0.00 175.55 172.95 2bqq s THR 139 N -1.57 1.16 0.10 -0.71 -4.23 -1.26 -5.11 115.64 104.03 2bqq s THR 139 Ca 0.69 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2bqq s THR 139 Cb -0.29 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 2bqq s THR 139 CO 0.34 -0.70 -0.02 -1.59 -0.54 0.00 0.00 174.62 172.12 2bqq s LYS 140 N -3.55 0.82 0.41 3.99 -2.85 -1.26 -4.44 119.74 112.86 2bqq s LYS 140 Ca 0.15 -1.35 -0.26 0.00 -1.00 0.00 0.00 55.97 53.51 2bqq s LYS 140 Cb 0.01 0.02 -0.08 0.00 -2.06 0.00 0.00 37.83 35.72 2bqq s LYS 140 CO 0.01 -0.12 1.26 1.21 0.10 0.00 0.00 175.35 177.81 2bqq s ASN 141 N -3.02 6.32 -0.00 0.03 3.84 -1.26 -4.98 114.94 115.87 2bqq s ASN 141 Ca 0.15 2.56 0.05 0.00 0.21 0.00 0.00 52.86 55.83 2bqq s ASN 141 Cb 0.07 -2.63 -0.06 0.00 -0.55 0.00 0.00 41.25 38.08 2bqq s ASN 141 CO -0.04 -0.83 0.22 1.33 -2.79 0.00 0.00 177.10 174.99 2bqq n VAL 142 N 0.05 0.00 -2.04 -5.21 0.24 -1.26 -5.02 118.33 105.08 2bqq n VAL 142 Ca 0.04 -0.37 -0.43 0.00 -2.04 0.00 0.00 64.34 61.55 2bqq n VAL 142 Cb 0.45 0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 33.76 2bqq n VAL 142 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2bqq s ASN 143 N -1.54 6.10 0.56 -1.34 3.84 -1.26 -4.88 114.94 116.41 2bqq s ASN 143 Ca 0.02 1.44 0.36 0.00 0.21 0.00 0.00 52.86 54.88 2bqq s ASN 143 Cb 0.04 -2.53 1.93 0.00 -0.55 0.00 0.00 41.25 40.15 2bqq s ASN 143 CO 0.22 -1.52 2.08 1.55 -2.79 0.00 0.00 177.10 176.64 2bqq h PRO 144 N 11.97 0.00 0.00 0.43 0.13 -1.96 -1.05 132.00 141.53 2bqq h PRO 144 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2bqq h PRO 144 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2bqq h PRO 144 CO 1.02 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.88 2bqq n ASN 145 N -2.79 0.62 -0.02 1.44 3.02 -1.26 -3.34 115.26 112.92 2bqq n ASN 145 Ca -0.02 0.69 0.01 0.00 -0.03 0.00 0.00 54.58 55.22 2bqq n ASN 145 Cb 0.11 -0.81 -0.00 0.00 -0.61 0.00 0.00 39.78 38.47 2bqq n ASN 145 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2bqq n TRP 146 N -2.22 0.00 -0.97 3.10 7.02 -0.40 -5.26 117.44 118.71 2bqq n TRP 146 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2bqq n TRP 146 Cb 0.17 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 2bqq n TRP 146 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10