#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbq s ARG 2 N 0.00 4.24 -0.05 0.00 0.52 -1.26 -1.58 118.95 120.81 1rbq s ARG 2 Ca 0.00 0.54 0.05 0.00 -0.52 0.00 0.00 55.73 55.80 1rbq s ARG 2 Cb 0.00 -3.54 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 1rbq s ARG 2 CO 0.00 -0.12 -0.20 0.08 0.02 0.00 0.00 175.30 175.08 1rbq s VAL 3 N 1.53 2.53 -0.06 3.52 1.01 0.09 0.27 120.40 129.29 1rbq s VAL 3 Ca 0.27 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1rbq s VAL 3 Cb -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1rbq s VAL 3 CO 0.11 0.58 -0.02 0.00 0.00 0.00 0.00 175.10 175.76 1rbq s ALA 4 N -0.45 3.18 -0.15 5.51 0.00 -0.08 -0.71 121.76 129.06 1rbq s ALA 4 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1rbq s ALA 4 Cb -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1rbq s ALA 4 CO 0.01 0.60 -0.16 0.08 0.00 0.00 0.00 175.76 176.29 1rbq s VAL 5 N -0.91 2.55 -0.09 0.00 1.01 -0.81 -0.25 120.40 121.91 1rbq s VAL 5 Ca 0.14 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1rbq s VAL 5 Cb -0.11 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1rbq s VAL 5 CO 0.04 0.52 0.24 -0.76 0.00 0.00 0.00 175.10 175.14 1rbq s LEU 6 N 0.85 4.40 0.16 3.92 1.43 0.12 -1.01 118.68 128.55 1rbq s LEU 6 Ca -0.05 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.67 1rbq s LEU 6 Cb -0.15 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1rbq s LEU 6 CO -0.01 0.35 0.09 0.27 0.23 0.00 0.00 176.35 177.28 1rbq s ILE 7 N -0.88 0.06 0.00 -0.59 -4.36 0.14 -1.24 121.20 114.33 1rbq s ILE 7 Ca 0.18 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1rbq s ILE 7 Cb -0.14 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.36 1rbq s ILE 7 CO 0.07 -0.29 0.03 -1.20 0.24 0.00 0.00 174.94 173.79 1rbq n SER 8 N -0.16 0.07 0.00 4.36 7.64 -1.03 -3.03 113.62 121.47 1rbq n SER 8 Ca -0.03 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1rbq n SER 8 Cb 0.65 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1rbq n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rbq n GLY 9 N 0.04 3.52 0.31 0.23 0.00 -1.26 -4.78 105.19 103.25 1rbq n GLY 9 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1rbq n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rbq h THR 10 N 0.00 1.03 0.00 2.61 2.02 -1.93 -0.99 112.91 115.66 1rbq h THR 10 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1rbq h THR 10 Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1rbq h THR 10 CO 0.00 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.67 1rbq n GLY 11 N -1.32 0.58 0.33 2.16 0.00 -1.26 -1.55 105.19 104.13 1rbq n GLY 11 Ca 0.12 -0.72 0.01 0.00 0.00 0.00 0.00 46.02 45.42 1rbq n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rbq h SER 12 N 0.00 0.75 -0.35 1.61 4.64 -1.93 -0.49 113.55 117.78 1rbq h SER 12 Ca 0.00 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1rbq h SER 12 Cb 0.00 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1rbq h SER 12 CO 0.00 0.59 -0.01 0.78 -0.87 0.00 0.00 176.83 177.32 1rbq h ASN 13 N 0.86 0.61 -0.60 4.97 2.35 -1.93 -2.68 115.58 119.16 1rbq h ASN 13 Ca 0.23 -0.31 0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1rbq h ASN 13 Cb -0.02 -0.16 -0.10 0.00 0.05 0.00 0.00 38.32 38.09 1rbq h ASN 13 CO -0.04 0.78 0.04 0.25 -1.65 0.00 0.00 177.43 176.80 1rbq h LEU 14 N 0.43 -0.20 -0.47 1.61 6.46 -1.72 -1.75 115.31 119.68 1rbq h LEU 14 Ca 0.10 0.14 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1rbq h LEU 14 Cb 0.47 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.60 1rbq h LEU 14 CO 0.02 -0.08 0.25 -0.61 -0.62 0.00 0.00 178.44 177.40 1rbq h GLN 15 N 0.15 0.49 -0.27 1.25 5.75 -0.91 0.13 115.11 121.70 1rbq h GLN 15 Ca 0.32 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.72 1rbq h GLN 15 Cb 0.50 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1rbq h GLN 15 CO -0.49 0.32 -0.14 0.00 -2.65 0.00 0.00 178.83 175.88 1rbq h ALA 16 N 1.24 1.27 -0.44 3.38 0.00 -1.16 -0.94 119.26 122.61 1rbq h ALA 16 Ca 0.20 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1rbq h ALA 16 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1rbq h ALA 16 CO -0.12 0.48 -0.10 -0.07 0.00 0.00 0.00 179.25 179.43 1rbq h LEU 17 N 0.42 0.85 0.05 0.00 3.38 -0.44 -1.86 115.31 117.71 1rbq h LEU 17 Ca 0.08 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1rbq h LEU 17 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1rbq h LEU 17 CO 0.03 1.02 -0.05 0.40 0.09 0.00 0.00 178.44 179.93 1rbq h ILE 18 N 0.68 0.88 -0.33 1.22 2.04 -0.26 -1.10 117.51 120.64 1rbq h ILE 18 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1rbq h ILE 18 Cb 0.64 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1rbq h ILE 18 CO 0.04 0.00 0.18 0.44 0.00 0.00 0.00 178.15 178.82 1rbq h ASP 19 N -0.11 0.29 -0.66 1.72 3.32 -1.17 -2.90 116.42 116.91 1rbq h ASP 19 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1rbq h ASP 19 Cb 0.11 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1rbq h ASP 19 CO -0.02 0.21 0.17 -1.28 -1.72 0.00 0.00 179.24 176.61 1rbq h SER 20 N 0.38 1.00 0.73 6.45 0.87 -1.25 -2.76 113.55 118.96 1rbq h SER 20 Ca 0.13 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1rbq h SER 20 Cb 0.01 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1rbq h SER 20 CO -0.07 0.97 0.00 0.35 -0.53 0.00 0.00 176.83 177.55 1rbq n THR 21 N -4.30 0.83 0.59 2.23 -2.24 -0.42 -2.39 114.28 108.59 1rbq n THR 21 Ca 0.04 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1rbq n THR 21 Cb 0.25 -1.06 0.15 0.00 -2.10 0.00 0.00 70.33 67.56 1rbq n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rbq n ARG 22 N -2.04 2.29 -1.38 -0.78 1.74 -1.05 -4.70 116.66 110.73 1rbq n ARG 22 Ca 0.03 -2.05 -0.31 0.00 -0.77 0.00 0.00 57.85 54.75 1rbq n ARG 22 Cb 0.23 -1.46 0.08 0.00 -1.02 0.00 0.00 32.46 30.29 1rbq n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rbq s GLU 23 N -1.64 2.44 0.46 5.56 0.41 -1.00 -4.99 118.70 119.93 1rbq s GLU 23 Ca 0.32 1.05 -0.23 0.00 -0.41 0.00 0.00 54.97 55.70 1rbq s GLU 23 Cb 0.20 -1.93 -0.07 0.00 -1.78 0.00 0.00 34.13 30.55 1rbq s GLU 23 CO 0.29 -1.48 1.17 -1.25 -0.49 0.00 0.00 175.26 173.50 1rbq s PRO 24 N -4.97 3.74 -0.69 0.39 0.04 -1.26 -3.17 135.00 129.08 1rbq s PRO 24 Ca 0.60 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1rbq s PRO 24 Cb -0.16 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1rbq s PRO 24 CO 0.56 -0.57 0.00 0.09 0.04 0.00 0.00 177.00 177.12 1rbq n ASN 25 N -0.49 -4.05 -4.77 6.66 3.02 -1.26 -5.01 115.26 109.36 1rbq n ASN 25 Ca 0.07 0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 1rbq n ASN 25 Cb 0.48 -2.12 -0.01 0.00 -0.61 0.00 0.00 39.78 37.52 1rbq n ASN 25 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rbq s SER 26 N -2.71 6.58 0.00 6.41 0.15 -1.19 -4.92 113.70 118.01 1rbq s SER 26 Ca 0.00 2.84 0.25 0.00 0.70 0.00 0.00 55.95 59.74 1rbq s SER 26 Cb 0.00 -2.65 0.69 0.00 -1.71 0.00 0.00 66.02 62.34 1rbq s SER 26 CO 0.00 -0.70 1.54 -1.20 1.20 0.00 0.00 173.24 174.08 1rbq n SER 27 N 0.86 2.16 -4.01 5.45 7.64 -1.26 -4.94 113.62 119.52 1rbq n SER 27 Ca 0.01 -1.73 -0.12 0.00 1.01 0.00 0.00 58.87 58.04 1rbq n SER 27 Cb 0.40 -0.04 -0.12 0.00 -1.01 0.00 0.00 64.21 63.44 1rbq n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rbq s ALA 28 N -1.91 0.37 -0.00 -0.43 0.00 -1.26 0.53 121.76 119.05 1rbq s ALA 28 Ca 0.34 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1rbq s ALA 28 Cb 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1rbq s ALA 28 CO 0.31 -0.04 -0.13 1.14 0.00 0.00 0.00 175.76 177.04 1rbq s GLN 29 N -1.22 1.00 -0.37 0.00 -2.07 -0.62 -4.72 119.66 111.67 1rbq s GLN 29 Ca -0.09 -0.48 -0.22 0.00 -1.82 0.00 0.00 55.36 52.75 1rbq s GLN 29 Cb -0.08 -0.97 0.01 0.00 -1.09 0.00 0.00 33.01 30.87 1rbq s GLN 29 CO -0.00 0.26 0.71 0.42 -1.32 0.00 0.00 175.29 175.36 1rbq s ILE 30 N -0.35 4.80 -0.07 3.63 1.01 -1.26 -0.73 121.20 128.23 1rbq s ILE 30 Ca 0.04 0.68 0.20 0.00 0.00 0.00 0.00 60.65 61.58 1rbq s ILE 30 Cb -0.05 -4.16 -0.31 0.00 0.01 0.00 0.00 42.46 37.95 1rbq s ILE 30 CO -0.00 -0.40 0.47 0.47 0.00 0.00 0.00 174.94 175.47 1rbq n ASP 31 N 6.26 0.38 -3.70 3.58 8.00 0.11 -4.93 116.55 126.25 1rbq n ASP 31 Ca 0.01 -0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 1rbq n ASP 31 Cb 0.48 1.88 -0.09 0.00 -0.02 0.00 0.00 41.12 43.38 1rbq n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rbq s ILE 32 N -3.39 0.01 -0.11 0.53 1.10 -1.21 -4.32 121.20 113.81 1rbq s ILE 32 Ca -0.07 -0.11 0.02 0.00 -0.51 0.00 0.00 60.65 59.99 1rbq s ILE 32 Cb 0.13 -0.69 0.01 0.00 0.15 0.00 0.00 42.46 42.06 1rbq s ILE 32 CO 0.84 -0.06 -0.19 -0.69 -2.11 0.00 0.00 174.94 172.73 1rbq s VAL 33 N -0.29 1.78 -0.09 4.00 1.01 -0.70 -1.92 120.40 124.19 1rbq s VAL 33 Ca -0.05 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1rbq s VAL 33 Cb -0.03 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1rbq s VAL 33 CO 0.03 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.76 1rbq s ILE 34 N 0.77 1.98 -0.00 2.22 1.01 -0.18 -1.76 121.20 125.23 1rbq s ILE 34 Ca -0.10 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.63 1rbq s ILE 34 Cb -0.16 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1rbq s ILE 34 CO 0.01 0.54 -0.20 -0.55 0.00 0.00 0.00 174.94 174.74 1rbq s SER 35 N 0.22 3.57 0.00 3.58 0.15 -0.36 -0.68 113.70 120.19 1rbq s SER 35 Ca -0.14 -0.39 0.30 0.00 0.70 0.00 0.00 55.95 56.41 1rbq s SER 35 Cb -0.17 -0.56 1.43 0.00 -1.71 0.00 0.00 66.02 65.01 1rbq s SER 35 CO 0.07 0.30 1.97 -0.46 1.20 0.00 0.00 173.24 176.33 1rbq n ASN 36 N 2.04 0.37 -3.97 5.45 2.04 -1.17 -0.65 115.26 119.38 1rbq n ASN 36 Ca -0.16 -0.69 -0.20 0.00 -0.44 0.00 0.00 54.58 53.08 1rbq n ASN 36 Cb 0.52 -0.09 -0.16 0.00 -2.53 0.00 0.00 39.78 37.52 1rbq n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1rbq s LYS 37 N -2.33 0.98 0.71 -3.83 1.02 -1.26 -3.71 119.74 111.33 1rbq s LYS 37 Ca 0.34 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.95 1rbq s LYS 37 Cb 0.21 -0.91 0.03 0.00 -0.52 0.00 0.00 37.83 36.63 1rbq s LYS 37 CO 0.43 0.05 1.10 0.00 -0.92 0.00 0.00 175.35 176.01 1rbq s ALA 38 N 0.42 2.39 -1.56 5.17 0.00 -1.26 -4.26 121.76 122.66 1rbq s ALA 38 Ca -0.07 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1rbq s ALA 38 Cb -0.11 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1rbq s ALA 38 CO 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 175.76 174.27 1rbq n ALA 39 N -2.99 -0.43 -2.81 0.00 0.00 -1.26 -4.99 120.51 108.03 1rbq n ALA 39 Ca 0.09 0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 1rbq n ALA 39 Cb 0.53 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 1rbq n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rbq s VAL 40 N -2.78 5.30 0.40 0.00 -7.23 -1.26 -5.00 120.40 109.82 1rbq s VAL 40 Ca 0.00 -0.18 0.22 0.00 -1.81 0.00 0.00 61.98 60.21 1rbq s VAL 40 Cb 0.00 -3.62 0.24 0.00 0.56 0.00 0.00 36.38 33.56 1rbq s VAL 40 CO 0.00 0.12 2.01 0.00 -0.31 0.00 0.00 175.10 176.92 1rbq h ALA 41 N 3.06 1.37 -0.98 1.32 0.00 -1.76 -2.31 119.26 119.95 1rbq h ALA 41 Ca -0.46 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.45 1rbq h ALA 41 Cb 1.17 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1rbq h ALA 41 CO 0.74 0.22 0.60 0.78 0.00 0.00 0.00 179.25 181.59 1rbq h GLY 42 N 0.89 1.68 0.99 0.00 0.00 -0.11 -1.33 103.07 105.20 1rbq h GLY 42 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1rbq h GLY 42 CO 0.02 0.04 0.30 1.41 0.00 0.00 0.00 176.54 178.31 1rbq h LEU 43 N 0.85 0.73 -0.51 3.11 3.38 -1.66 -1.92 115.31 119.29 1rbq h LEU 43 Ca 0.53 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.37 1rbq h LEU 43 Cb 0.69 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1rbq h LEU 43 CO -0.33 0.63 0.23 0.44 0.09 0.00 0.00 178.44 179.50 1rbq h ASP 44 N 0.78 0.68 -0.58 -0.43 3.32 -1.46 -1.56 116.42 117.16 1rbq h ASP 44 Ca 0.20 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.17 1rbq h ASP 44 Cb 0.07 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 1rbq h ASP 44 CO -0.03 0.64 0.28 0.11 -1.72 0.00 0.00 179.24 178.51 1rbq h LYS 45 N 0.68 0.50 0.23 3.56 1.57 -1.11 0.38 116.57 122.39 1rbq h LYS 45 Ca 0.17 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1rbq h LYS 45 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1rbq h LYS 45 CO -0.02 0.33 -0.12 0.00 -0.57 0.00 0.00 179.45 179.07 1rbq h ALA 46 N 1.34 -0.32 -0.80 3.86 0.00 -1.09 -2.42 119.26 119.83 1rbq h ALA 46 Ca 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1rbq h ALA 46 Cb 0.22 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1rbq h ALA 46 CO -0.21 -0.68 0.43 0.93 0.00 0.00 0.00 179.25 179.72 1rbq h GLU 47 N -0.32 1.12 0.00 0.00 5.08 -1.04 -0.69 114.58 118.71 1rbq h GLU 47 Ca -0.03 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1rbq h GLU 47 Cb 0.26 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1rbq h GLU 47 CO 0.04 0.82 -0.13 0.00 -1.00 0.00 0.00 179.01 178.74 1rbq h ARG 48 N 1.12 0.00 -0.05 2.33 3.08 -0.87 -1.47 114.38 118.53 1rbq h ARG 48 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1rbq h ARG 48 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1rbq h ARG 48 CO -0.04 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 1rbq n ALA 49 N -2.29 2.58 -2.31 0.04 0.00 -0.72 -4.92 120.51 112.89 1rbq n ALA 49 Ca -0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 1rbq n ALA 49 Cb 0.25 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1rbq n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rbq n GLY 50 N 1.12 -0.00 3.49 0.00 0.00 -0.55 -5.03 105.19 104.20 1rbq n GLY 50 Ca 0.19 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1rbq n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rbq s ILE 51 N -2.59 3.72 0.57 -0.61 1.01 -0.35 -5.01 121.20 117.95 1rbq s ILE 51 Ca 0.04 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 1rbq s ILE 51 Cb -0.02 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1rbq s ILE 51 CO 0.05 0.51 1.22 -2.84 0.00 0.00 0.00 174.94 173.88 1rbq s PRO 52 N 0.20 3.07 0.13 2.79 0.02 -1.26 -3.57 135.00 136.37 1rbq s PRO 52 Ca -0.03 1.87 0.06 0.00 0.02 0.00 0.00 61.00 62.92 1rbq s PRO 52 Cb -0.14 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1rbq s PRO 52 CO 0.03 -1.14 -0.15 0.95 -0.33 0.00 0.00 177.00 176.36 1rbq s THR 53 N -1.55 1.41 0.01 0.99 -4.23 -1.26 -1.72 115.64 109.29 1rbq s THR 53 Ca 0.75 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1rbq s THR 53 Cb -0.31 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 1rbq s THR 53 CO 0.35 -0.38 -0.02 -0.13 -0.54 0.00 0.00 174.62 173.90 1rbq s ARG 54 N -2.63 0.16 -0.23 3.99 1.81 -0.72 -4.96 118.95 116.36 1rbq s ARG 54 Ca 0.09 -0.25 -0.06 0.00 -1.72 0.00 0.00 55.73 53.79 1rbq s ARG 54 Cb -0.05 -0.01 -0.03 0.00 -0.45 0.00 0.00 34.95 34.42 1rbq s ARG 54 CO 0.04 -0.01 0.04 0.08 -0.68 0.00 0.00 175.30 174.77 1rbq s VAL 55 N -0.56 4.15 -0.34 3.52 1.01 -1.26 -1.22 120.40 125.70 1rbq s VAL 55 Ca -0.06 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1rbq s VAL 55 Cb -0.04 -2.92 0.10 0.00 0.00 0.00 0.00 36.38 33.52 1rbq s VAL 55 CO -0.00 0.37 0.05 -0.63 0.00 0.00 0.00 175.10 174.89 1rbq s ILE 56 N 1.42 2.32 -0.41 2.22 1.01 0.18 -4.98 121.20 122.96 1rbq s ILE 56 Ca 0.05 -2.31 -0.29 0.00 0.00 0.00 0.00 60.65 58.10 1rbq s ILE 56 Cb -0.15 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1rbq s ILE 56 CO 0.02 -0.59 1.49 0.21 0.00 0.00 0.00 174.94 176.08 1rbq s ASN 57 N 0.95 6.21 0.54 3.58 3.84 -1.26 -4.04 114.94 124.76 1rbq s ASN 57 Ca 0.10 0.86 0.22 0.00 0.21 0.00 0.00 52.86 54.25 1rbq s ASN 57 Cb -0.19 -2.54 1.41 0.00 -0.55 0.00 0.00 41.25 39.38 1rbq s ASN 57 CO -0.08 -1.53 2.10 1.12 -2.79 0.00 0.00 177.10 175.93 1rbq h HIS 58 N 11.23 0.00 0.00 0.43 2.07 -1.93 -1.91 115.15 125.03 1rbq h HIS 58 Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 1rbq h HIS 58 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 1rbq h HIS 58 CO 0.97 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 176.70 1rbq h LYS 59 N 0.00 0.00 -0.31 5.12 1.57 -1.90 -2.87 116.57 118.18 1rbq h LYS 59 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1rbq h LYS 59 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1rbq h LYS 59 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1rbq n LEU 60 N -2.64 1.96 -4.42 2.94 4.77 -0.72 -4.88 117.00 114.02 1rbq n LEU 60 Ca 0.01 -0.93 -0.31 0.00 -0.03 0.00 0.00 56.01 54.75 1rbq n LEU 60 Cb 0.21 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1rbq n LEU 60 CO 0.21 0.46 -0.51 -0.31 -1.33 0.00 0.00 177.39 175.91 1rbq s TYR 61 N -1.59 2.51 0.32 -1.77 1.51 -1.08 -5.03 117.35 112.22 1rbq s TYR 61 Ca 0.28 -0.29 0.13 0.00 -1.01 0.00 0.00 57.07 56.17 1rbq s TYR 61 Cb 0.15 -1.49 0.62 0.00 -0.11 0.00 0.00 41.96 41.12 1rbq s TYR 61 CO 0.21 0.16 1.75 1.57 -1.11 0.00 0.00 175.55 178.14 1rbq h LYS 62 N 4.93 0.00 -3.72 -0.62 2.10 -1.89 -3.47 116.57 113.90 1rbq h LYS 62 Ca -0.46 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.07 1rbq h LYS 62 Cb 1.15 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.40 1rbq h LYS 62 CO 0.47 0.45 -0.09 0.54 -2.00 0.00 0.00 179.45 178.82 1rbq s ASN 63 N -6.85 0.24 0.18 7.07 2.20 -1.26 -5.07 114.94 111.46 1rbq s ASN 63 Ca -0.02 -1.13 -0.09 0.00 -0.94 0.00 0.00 52.86 50.68 1rbq s ASN 63 Cb 0.14 0.64 0.08 0.00 -2.00 0.00 0.00 41.25 40.11 1rbq s ASN 63 CO 0.73 -1.26 1.63 0.03 -2.94 0.00 0.00 177.10 175.29 1rbq h ARG 64 N 2.18 1.04 -0.75 3.55 3.08 -1.96 -2.84 114.38 118.68 1rbq h ARG 64 Ca -0.27 -0.35 0.11 0.00 0.07 0.00 0.00 59.98 59.53 1rbq h ARG 64 Cb 1.25 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 31.14 1rbq h ARG 64 CO 0.37 1.05 0.38 0.28 -1.07 0.00 0.00 179.97 180.98 1rbq h VAL 65 N 0.94 0.82 0.00 2.04 2.07 -1.97 0.26 116.25 120.40 1rbq h VAL 65 Ca 0.16 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1rbq h VAL 65 Cb 0.62 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1rbq h VAL 65 CO 0.04 0.11 -0.62 1.05 0.02 0.00 0.00 177.57 178.17 1rbq h GLU 66 N 0.61 0.00 0.14 1.57 4.11 -1.99 -1.75 114.58 117.28 1rbq h GLU 66 Ca 0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.80 1rbq h GLU 66 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1rbq h GLU 66 CO -0.30 0.34 -0.07 0.35 0.07 0.00 0.00 179.01 179.41 1rbq h PHE 67 N 0.00 -0.18 -0.73 2.06 3.57 -1.12 -2.38 116.94 118.16 1rbq h PHE 67 Ca -0.03 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.59 1rbq h PHE 67 Cb 1.33 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 1rbq h PHE 67 CO 0.00 0.04 0.49 -0.44 -2.23 0.00 0.00 178.31 176.17 1rbq h ASP 68 N -0.38 0.46 -0.33 0.41 3.32 -0.52 -1.77 116.42 117.61 1rbq h ASP 68 Ca -0.02 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1rbq h ASP 68 Cb 0.30 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1rbq h ASP 68 CO 0.03 0.26 -0.37 0.28 -1.72 0.00 0.00 179.24 177.72 1rbq h SER 69 N 0.50 0.93 -0.70 6.45 0.02 -1.24 0.16 113.55 119.67 1rbq h SER 69 Ca 0.35 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1rbq h SER 69 Cb 0.67 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1rbq h SER 69 CO -0.12 1.19 0.46 0.00 -1.14 0.00 0.00 176.83 177.22 1rbq h ALA 70 N 0.85 0.89 0.11 3.77 0.00 -0.83 0.12 119.26 124.17 1rbq h ALA 70 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1rbq h ALA 70 Cb 0.94 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rbq h ALA 70 CO 0.09 0.32 -0.05 0.82 0.00 0.00 0.00 179.25 180.43 1rbq h ILE 71 N 0.95 0.90 -0.90 0.00 2.04 -1.21 -3.11 117.51 116.18 1rbq h ILE 71 Ca 0.26 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.18 1rbq h ILE 71 Cb -0.10 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1rbq h ILE 71 CO -0.05 0.01 0.54 -0.78 0.00 0.00 0.00 178.15 177.86 1rbq h ASP 72 N -0.16 0.80 -0.29 1.72 3.58 0.04 -1.45 116.42 120.66 1rbq h ASP 72 Ca -0.01 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.53 1rbq h ASP 72 Cb 0.12 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 1rbq h ASP 72 CO 0.02 0.46 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.76 1rbq h LEU 73 N 0.91 -0.14 -0.86 2.28 3.38 -0.76 -0.95 115.31 119.15 1rbq h LEU 73 Ca 0.43 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 1rbq h LEU 73 Cb 0.37 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1rbq h LEU 73 CO -0.24 -0.04 0.38 0.58 0.09 0.00 0.00 178.44 179.21 1rbq h VAL 74 N 0.07 1.26 -0.62 1.22 2.07 -1.26 -0.24 116.25 118.76 1rbq h VAL 74 Ca 0.14 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1rbq h VAL 74 Cb 0.19 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1rbq h VAL 74 CO -0.25 0.32 0.41 -0.07 0.02 0.00 0.00 177.57 178.00 1rbq h LEU 75 N 1.19 0.70 -0.02 2.57 4.07 -0.79 -2.03 115.31 121.00 1rbq h LEU 75 Ca 0.28 -0.02 -0.26 0.00 0.08 0.00 0.00 57.88 57.96 1rbq h LEU 75 Cb 0.15 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 41.73 1rbq h LEU 75 CO -0.03 0.51 -1.08 -0.33 -1.08 0.00 0.00 178.44 176.42 1rbq h GLU 76 N 0.83 0.52 -0.79 1.13 4.39 -0.61 -1.50 114.58 118.54 1rbq h GLU 76 Ca 0.23 -0.62 0.17 0.00 0.34 0.00 0.00 59.36 59.48 1rbq h GLU 76 Cb -0.09 0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1rbq h GLU 76 CO -0.05 1.24 0.53 0.93 -1.16 0.00 0.00 179.01 180.51 1rbq h GLU 77 N 0.26 0.35 -0.53 2.33 5.08 -0.65 -2.29 114.58 119.13 1rbq h GLU 77 Ca -0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1rbq h GLU 77 Cb 1.74 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.91 1rbq h GLU 77 CO 0.20 0.23 0.00 1.19 -1.00 0.00 0.00 179.01 179.63 1rbq n PHE 78 N -4.47 0.71 -4.07 4.33 3.01 -0.80 -4.99 117.46 111.18 1rbq n PHE 78 Ca 0.16 -0.49 -0.28 0.00 1.01 0.00 0.00 57.45 57.84 1rbq n PHE 78 Cb 0.61 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 40.03 1rbq n PHE 78 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1rbq n SER 79 N 1.06 -0.43 -4.74 4.37 7.64 -0.86 -4.90 113.62 115.76 1rbq n SER 79 Ca 0.18 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.58 1rbq n SER 79 Cb 0.52 -2.70 -0.03 0.00 -1.01 0.00 0.00 64.21 60.99 1rbq n SER 79 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rbq s ILE 80 N -3.96 3.29 -0.19 0.44 -1.09 -0.60 -4.73 121.20 114.35 1rbq s ILE 80 Ca 0.10 1.09 0.03 0.00 -2.23 0.00 0.00 60.65 59.65 1rbq s ILE 80 Cb -0.06 -3.70 -0.21 0.00 -1.58 0.00 0.00 42.46 36.91 1rbq s ILE 80 CO 0.92 0.18 0.06 0.47 -1.23 0.00 0.00 174.94 175.33 1rbq n ASP 81 N 2.38 1.63 -3.87 3.58 8.00 0.14 -4.97 116.55 123.44 1rbq n ASP 81 Ca 0.05 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 1rbq n ASP 81 Cb 0.43 -0.30 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 1rbq n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rbq s ILE 82 N -2.53 0.14 -0.14 0.53 1.01 -0.83 -4.84 121.20 114.54 1rbq s ILE 82 Ca -0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1rbq s ILE 82 Cb 0.08 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 1rbq s ILE 82 CO 0.70 0.07 -0.09 -0.69 0.00 0.00 0.00 174.94 174.93 1rbq s VAL 83 N 0.29 3.38 -0.15 2.92 1.01 0.10 -0.90 120.40 127.05 1rbq s VAL 83 Ca -0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1rbq s VAL 83 Cb -0.05 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1rbq s VAL 83 CO -0.01 0.52 -0.06 0.00 0.00 0.00 0.00 175.10 175.55 1rbq s LEU 85 N 0.36 4.54 -0.55 0.00 1.43 0.15 -0.71 118.68 123.90 1rbq s LEU 85 Ca -0.06 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1rbq s LEU 85 Cb -0.15 -2.39 0.16 0.00 0.03 0.00 0.00 46.19 43.84 1rbq s LEU 85 CO 0.04 -0.43 0.36 0.00 0.23 0.00 0.00 176.35 176.56 1rbq s ALA 86 N 2.11 2.81 -0.85 4.21 0.00 -0.37 -2.71 121.76 126.96 1rbq s ALA 86 Ca 0.13 -3.15 0.00 0.00 0.00 0.00 0.00 51.96 48.94 1rbq s ALA 86 Cb -0.16 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1rbq s ALA 86 CO 0.12 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1rbq n GLY 87 N 2.72 0.90 3.71 0.00 0.00 -1.26 -4.45 105.19 106.81 1rbq n GLY 87 Ca 0.17 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1rbq n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rbq s PHE 88 N -2.32 3.39 -0.83 1.61 5.36 -1.26 -2.46 117.98 121.47 1rbq s PHE 88 Ca 0.00 1.22 0.13 0.00 -0.96 0.00 0.00 56.93 57.32 1rbq s PHE 88 Cb 0.00 -3.48 0.40 0.00 -0.34 0.00 0.00 43.02 39.61 1rbq s PHE 88 CO 0.00 -1.51 1.33 -1.33 -1.46 0.00 0.00 175.22 172.25 1rbq n MET 89 N 3.97 2.94 -4.27 10.12 2.81 -1.26 -4.93 117.12 126.50 1rbq n MET 89 Ca 0.10 -2.31 -0.34 0.00 -1.81 0.00 0.00 57.70 53.33 1rbq n MET 89 Cb 0.45 -1.45 -0.13 0.00 -0.71 0.00 0.00 33.22 31.38 1rbq n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rbq s ARG 90 N -1.45 3.52 0.05 0.03 1.81 -1.26 -5.07 118.95 116.57 1rbq s ARG 90 Ca 0.31 -0.58 -0.31 0.00 -1.72 0.00 0.00 55.73 53.43 1rbq s ARG 90 Cb 0.19 -2.92 -0.07 0.00 -0.45 0.00 0.00 34.95 31.70 1rbq s ARG 90 CO 0.16 0.07 1.49 0.42 -0.68 0.00 0.00 175.30 176.76 1rbq s ILE 91 N 0.80 3.38 0.26 1.52 1.01 -1.26 -5.00 121.20 121.91 1rbq s ILE 91 Ca -0.02 0.83 -0.16 0.00 0.00 0.00 0.00 60.65 61.30 1rbq s ILE 91 Cb -0.15 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 1rbq s ILE 91 CO 0.02 0.01 0.70 -0.76 0.00 0.00 0.00 174.94 174.91 1rbq s LEU 92 N 2.26 4.21 0.64 2.97 1.43 -1.26 -5.03 118.68 123.89 1rbq s LEU 92 Ca 0.68 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.92 1rbq s LEU 92 Cb -0.36 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 1rbq s LEU 92 CO 0.29 -0.07 1.09 -0.94 0.23 0.00 0.00 176.35 176.95 1rbq s SER 93 N -1.97 5.36 0.09 2.29 1.04 -1.26 -4.85 113.70 114.39 1rbq s SER 93 Ca 0.48 1.91 -0.17 0.00 0.48 0.00 0.00 55.95 58.65 1rbq s SER 93 Cb -0.13 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1rbq s SER 93 CO 0.19 -1.45 1.02 0.61 0.98 0.00 0.00 173.24 174.58 1rbq n GLY 94 N -0.76 -1.99 0.29 7.32 0.00 -1.26 -1.75 105.19 107.04 1rbq n GLY 94 Ca 0.10 0.75 -0.03 0.00 0.00 0.00 0.00 46.02 46.83 1rbq n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rbq h PRO 95 N 0.00 0.78 -0.16 1.61 0.11 -1.98 0.72 132.00 133.08 1rbq h PRO 95 Ca 0.09 -0.19 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1rbq h PRO 95 Cb 0.22 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1rbq h PRO 95 CO -0.50 0.76 0.08 0.35 -0.21 0.00 0.00 178.00 178.47 1rbq h PHE 96 N 0.74 0.22 -0.55 0.65 3.04 -1.89 -0.51 116.94 118.64 1rbq h PHE 96 Ca 0.15 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 1rbq h PHE 96 Cb 0.38 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1rbq h PHE 96 CO 0.02 0.24 0.25 0.28 -2.02 0.00 0.00 178.31 177.09 1rbq h VAL 97 N 0.13 1.21 -0.11 1.41 2.07 -0.89 -1.53 116.25 118.54 1rbq h VAL 97 Ca 0.05 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1rbq h VAL 97 Cb 0.10 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1rbq h VAL 97 CO -0.01 0.24 -0.03 1.56 0.02 0.00 0.00 177.57 179.35 1rbq h GLN 98 N 0.75 -0.00 -0.63 1.57 4.20 -0.82 -1.35 115.11 118.82 1rbq h GLN 98 Ca 0.19 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.99 1rbq h GLN 98 Cb 0.14 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 1rbq h GLN 98 CO -0.02 -0.00 0.27 -0.22 -0.67 0.00 0.00 178.83 178.19 1rbq h LYS 99 N -0.00 0.46 -0.55 1.46 3.64 -0.71 -2.44 116.57 118.44 1rbq h LYS 99 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1rbq h LYS 99 Cb 0.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1rbq h LYS 99 CO -0.11 0.31 0.00 0.91 -2.27 0.00 0.00 179.45 178.28 1rbq n TRP 100 N -4.95 0.80 -1.67 1.91 7.02 -0.61 -4.97 117.44 114.97 1rbq n TRP 100 Ca 0.09 -0.34 -0.49 0.00 -1.02 0.00 0.00 57.50 55.75 1rbq n TRP 100 Cb 0.27 -0.12 -0.05 0.00 -2.42 0.00 0.00 31.31 28.99 1rbq n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1rbq n ASN 101 N 0.64 3.10 0.00 -0.99 4.05 -0.54 -0.44 115.26 121.07 1rbq n ASN 101 Ca 0.15 1.03 0.00 0.00 0.45 0.00 0.00 54.58 56.21 1rbq n ASN 101 Cb 0.52 -1.35 0.00 0.00 1.23 0.00 0.00 39.78 40.17 1rbq n ASN 101 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1rbq n GLY 102 N 3.93 1.04 0.00 8.20 0.00 -1.26 -4.84 105.19 112.26 1rbq n GLY 102 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1rbq n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rbq n LYS 103 N -2.00 -0.09 -4.41 1.61 4.76 0.41 -4.67 118.16 113.76 1rbq n LYS 103 Ca 0.00 -0.52 -0.29 0.00 -2.87 0.00 0.00 58.31 54.64 1rbq n LYS 103 Cb 0.00 -0.83 -0.17 0.00 -1.84 0.00 0.00 35.03 32.19 1rbq n LYS 103 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1rbq s MET 104 N -0.15 2.22 0.14 1.97 1.75 -0.98 -0.72 119.30 123.54 1rbq s MET 104 Ca 0.00 -0.56 0.09 0.00 -1.25 0.00 0.00 55.69 53.97 1rbq s MET 104 Cb 0.00 -1.90 -0.04 0.00 2.84 0.00 0.00 34.83 35.72 1rbq s MET 104 CO 0.00 -0.08 -0.14 -0.51 -0.65 0.00 0.00 175.02 173.64 1rbq s LEU 105 N 1.04 2.83 0.04 4.11 1.43 0.47 -1.15 118.68 127.45 1rbq s LEU 105 Ca -0.05 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1rbq s LEU 105 Cb -0.15 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1rbq s LEU 105 CO -0.02 0.15 -0.09 0.21 0.23 0.00 0.00 176.35 176.82 1rbq s ASN 106 N -2.44 1.04 -0.22 2.29 2.47 -0.50 0.32 114.94 117.90 1rbq s ASN 106 Ca 0.21 -0.47 -0.08 0.00 0.42 0.00 0.00 52.86 52.95 1rbq s ASN 106 Cb -0.10 -0.01 -0.04 0.00 -1.45 0.00 0.00 41.25 39.65 1rbq s ASN 106 CO 0.12 -0.11 0.08 -0.51 -3.72 0.00 0.00 177.10 172.96 1rbq s ILE 107 N -1.07 4.62 -0.09 -5.21 1.10 -1.10 -1.89 121.20 117.55 1rbq s ILE 107 Ca -0.05 -0.08 0.03 0.00 -0.51 0.00 0.00 60.65 60.04 1rbq s ILE 107 Cb -0.08 -3.12 0.01 0.00 0.15 0.00 0.00 42.46 39.41 1rbq s ILE 107 CO 0.01 0.39 -0.19 -2.28 -2.11 0.00 0.00 174.94 170.75 1rbq s HIS 108 N 1.02 2.17 -0.10 3.50 5.65 0.78 -4.75 115.29 123.56 1rbq s HIS 108 Ca 0.04 -0.91 -0.03 0.00 0.25 0.00 0.00 55.06 54.42 1rbq s HIS 108 Cb -0.14 -1.49 -0.07 0.00 -1.18 0.00 0.00 32.58 29.70 1rbq s HIS 108 CO 0.03 -0.40 2.73 -0.35 -0.65 0.00 0.00 174.74 176.10 1rbq n PRO 109 N 3.74 1.68 -4.14 2.88 -0.04 -1.26 -0.22 135.00 137.63 1rbq n PRO 109 Ca -0.20 -0.90 -0.12 0.00 -0.04 0.00 0.00 63.50 62.24 1rbq n PRO 109 Cb 0.52 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 1rbq n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rbq s SER 110 N 1.54 0.22 -1.00 3.54 1.04 -0.73 -4.58 113.70 113.73 1rbq s SER 110 Ca 0.38 -1.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.30 1rbq s SER 110 Cb 0.21 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.86 1rbq s SER 110 CO -0.03 -0.96 1.38 -0.76 0.98 0.00 0.00 173.24 173.85 1rbq s LEU 111 N -3.14 3.84 0.48 2.42 1.43 -1.24 -2.58 118.68 119.88 1rbq s LEU 111 Ca 0.34 -1.59 -0.23 0.00 -1.03 0.00 0.00 54.13 51.62 1rbq s LEU 111 Cb 0.04 -2.53 -0.08 0.00 0.03 0.00 0.00 46.19 43.65 1rbq s LEU 111 CO 0.13 -1.41 1.21 0.18 0.23 0.00 0.00 176.35 176.69 1rbq n LEU 112 N 8.38 4.14 -0.52 1.79 4.77 -1.26 -1.66 117.00 132.64 1rbq n LEU 112 Ca 0.31 1.03 0.05 0.00 -0.03 0.00 0.00 56.01 57.37 1rbq n LEU 112 Cb 0.51 -1.48 0.15 0.00 -2.33 0.00 0.00 43.42 40.26 1rbq n LEU 112 CO 0.63 -0.91 0.62 -0.81 -1.33 0.00 0.00 177.39 175.59 1rbq n PRO 113 N -0.33 1.65 -2.41 3.23 -0.04 -1.26 -5.10 135.00 130.74 1rbq n PRO 113 Ca 0.09 -1.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.15 1rbq n PRO 113 Cb 0.42 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 1rbq n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rbq s SER 114 N -1.04 6.85 -1.17 3.54 0.01 -0.66 -4.26 113.70 116.96 1rbq s SER 114 Ca 0.20 2.26 -0.01 0.00 1.31 0.00 0.00 55.95 59.70 1rbq s SER 114 Cb 0.10 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 1rbq s SER 114 CO 0.14 -0.44 0.97 0.49 0.41 0.00 0.00 173.24 174.82 1rbq n PHE 115 N 0.46 -2.24 -1.80 2.43 3.72 -1.26 -4.40 117.46 114.38 1rbq n PHE 115 Ca 0.02 0.92 -0.36 0.00 -0.05 0.00 0.00 57.45 57.98 1rbq n PHE 115 Cb 0.46 -4.87 0.06 0.00 -0.94 0.00 0.00 39.48 34.19 1rbq n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rbq s LYS 116 N -5.19 2.66 0.00 -1.08 1.02 -1.26 -4.56 119.74 111.33 1rbq s LYS 116 Ca 0.09 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1rbq s LYS 116 Cb -0.01 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1rbq s LYS 116 CO 0.74 -1.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1rbq n GLY 117 N 0.58 1.97 0.02 -3.33 0.00 -1.26 -4.81 105.19 98.37 1rbq n GLY 117 Ca 0.14 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1rbq n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rbq n SER 118 N 0.00 0.16 -2.50 1.61 3.41 -1.26 -3.48 113.62 111.56 1rbq n SER 118 Ca 0.00 0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 58.83 1rbq n SER 118 Cb 0.00 -0.56 0.01 0.00 -0.26 0.00 0.00 64.21 63.41 1rbq n SER 118 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rbq n ASN 119 N -1.65 5.45 -0.19 4.04 6.94 -1.26 -4.86 115.26 123.73 1rbq n ASN 119 Ca 0.06 -3.75 -0.03 0.00 -0.02 0.00 0.00 54.58 50.84 1rbq n ASN 119 Cb 0.35 -0.59 0.07 0.00 -2.36 0.00 0.00 39.78 37.25 1rbq n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbq h ALA 120 N 2.58 0.74 -0.71 -2.53 0.00 -1.80 -2.19 119.26 115.34 1rbq h ALA 120 Ca 0.38 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1rbq h ALA 120 Cb 0.82 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1rbq h ALA 120 CO 0.99 -0.06 0.46 0.45 0.00 0.00 0.00 179.25 181.09 1rbq h HIS 121 N 0.55 0.91 -0.49 0.00 3.86 -1.89 0.12 115.15 118.21 1rbq h HIS 121 Ca 0.26 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1rbq h HIS 121 Cb 0.18 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1rbq h HIS 121 CO -0.10 0.59 0.31 1.49 0.86 0.00 0.00 177.93 181.08 1rbq h GLU 122 N 0.97 0.60 -0.70 2.45 4.81 -1.85 -0.37 114.58 120.49 1rbq h GLU 122 Ca 0.26 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 1rbq h GLU 122 Cb -0.09 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1rbq h GLU 122 CO -0.05 0.40 0.28 1.96 -0.73 0.00 0.00 179.01 180.86 1rbq h GLN 123 N 0.62 1.04 -0.45 1.92 4.20 -0.90 -1.32 115.11 120.22 1rbq h GLN 123 Ca 0.19 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1rbq h GLN 123 Cb -0.01 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1rbq h GLN 123 CO -0.07 0.87 0.18 0.00 -0.67 0.00 0.00 178.83 179.14 1rbq h ALA 124 N 1.13 0.59 -0.50 3.87 0.00 -0.30 -1.16 119.26 122.88 1rbq h ALA 124 Ca 0.23 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1rbq h ALA 124 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1rbq h ALA 124 CO -0.02 0.19 0.01 -0.07 0.00 0.00 0.00 179.25 179.36 1rbq h LEU 125 N 0.59 0.86 -1.07 0.00 3.38 -1.00 -1.89 115.31 116.18 1rbq h LEU 125 Ca 0.15 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1rbq h LEU 125 Cb 0.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1rbq h LEU 125 CO -0.01 0.95 0.62 -0.08 0.09 0.00 0.00 178.44 180.01 1rbq h GLU 126 N 0.74 1.24 0.00 1.13 4.81 -1.08 -2.96 114.58 118.46 1rbq h GLU 126 Ca 0.14 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 1rbq h GLU 126 Cb 0.51 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1rbq h GLU 126 CO 0.02 0.82 -0.75 1.15 -0.73 0.00 0.00 179.01 179.53 1rbq h THR 127 N 1.27 1.40 0.00 0.32 2.02 -1.06 -3.48 112.91 113.38 1rbq h THR 127 Ca 0.34 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.82 1rbq h THR 127 Cb -0.14 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1rbq h THR 127 CO -0.07 0.74 0.00 0.61 0.37 0.00 0.00 175.52 177.16 1rbq n GLY 128 N 0.97 0.67 3.74 2.16 0.00 -0.72 -5.06 105.19 106.96 1rbq n GLY 128 Ca 0.00 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1rbq n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rbq s VAL 129 N -2.00 2.23 -1.03 1.61 -7.23 -1.21 -4.94 120.40 107.83 1rbq s VAL 129 Ca 0.00 0.14 0.20 0.00 -1.81 0.00 0.00 61.98 60.52 1rbq s VAL 129 Cb 0.00 -3.06 -0.20 0.00 0.56 0.00 0.00 36.38 33.68 1rbq s VAL 129 CO 0.00 -0.03 0.87 0.35 -0.31 0.00 0.00 175.10 175.98 1rbq n THR 130 N -1.70 0.00 -3.89 5.32 -2.24 -1.26 -4.75 114.28 105.77 1rbq n THR 130 Ca 0.15 -0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.62 1rbq n THR 130 Cb 0.48 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.56 1rbq n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rbq s VAL 131 N -2.87 0.88 0.00 2.28 1.01 -1.26 0.16 120.40 120.60 1rbq s VAL 131 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1rbq s VAL 131 Cb 0.15 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1rbq s VAL 131 CO 0.81 0.34 0.00 1.07 0.00 0.00 0.00 175.10 177.32 1rbq n THR 132 N 4.97 0.00 -0.55 3.92 5.66 -0.18 -4.91 114.28 123.18 1rbq n THR 132 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1rbq n THR 132 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1rbq n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rbq n GLY 133 N 4.20 -0.52 3.19 1.09 0.00 -1.26 -0.37 105.19 111.52 1rbq n GLY 133 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 1rbq n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rbq s THR 135 N -3.89 0.09 -0.20 0.00 2.01 0.69 -1.66 115.64 112.69 1rbq s THR 135 Ca 0.08 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 1rbq s THR 135 Cb 0.06 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 1rbq s THR 135 CO -0.09 0.09 0.10 -0.69 -0.69 0.00 0.00 174.62 173.34 1rbq s VAL 136 N 0.67 5.05 0.02 3.82 1.01 0.15 -0.16 120.40 130.97 1rbq s VAL 136 Ca -0.06 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1rbq s VAL 136 Cb -0.09 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1rbq s VAL 136 CO -0.02 0.43 -0.02 -1.38 0.00 0.00 0.00 175.10 174.11 1rbq s HIS 137 N 0.50 0.29 0.53 5.22 -0.00 -0.79 -0.69 115.29 120.35 1rbq s HIS 137 Ca 0.05 -0.59 -0.22 0.00 -0.00 0.00 0.00 55.06 54.30 1rbq s HIS 137 Cb -0.12 -0.21 -0.05 0.00 -0.00 0.00 0.00 32.58 32.19 1rbq s HIS 137 CO 0.00 -0.22 1.37 -0.06 -0.00 0.00 0.00 174.74 175.83 1rbq s PHE 138 N -1.77 2.32 -0.13 0.38 0.08 -0.15 -1.42 117.98 117.28 1rbq s PHE 138 Ca -0.13 1.35 -0.22 0.00 0.12 0.00 0.00 56.93 58.05 1rbq s PHE 138 Cb -0.08 -3.82 -0.03 0.00 -0.57 0.00 0.00 43.02 38.52 1rbq s PHE 138 CO -0.02 -2.90 0.68 0.08 -0.10 0.00 0.00 175.22 172.96 1rbq s VAL 139 N -1.29 5.02 0.42 -0.44 1.01 -0.30 -3.61 120.40 121.21 1rbq s VAL 139 Ca 0.69 1.34 0.07 0.00 0.00 0.00 0.00 61.98 64.09 1rbq s VAL 139 Cb -0.41 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1rbq s VAL 139 CO 0.49 0.17 0.14 0.00 0.00 0.00 0.00 175.10 175.90 1rbq s ALA 140 N 1.41 3.54 0.13 5.51 0.00 -1.26 -4.79 121.76 126.30 1rbq s ALA 140 Ca 0.34 -2.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.03 1rbq s ALA 140 Cb -0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1rbq s ALA 140 CO 0.14 -0.16 1.70 1.49 0.00 0.00 0.00 175.76 178.93 1rbq h GLU 141 N 1.48 0.01 -6.41 0.00 4.81 -1.93 -3.40 114.58 109.13 1rbq h GLU 141 Ca -0.43 -0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.26 1rbq h GLU 141 Cb 1.25 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1rbq h GLU 141 CO 0.72 0.00 0.99 -0.51 -0.73 0.00 0.00 179.01 179.49 1rbq s ASP 142 N -5.21 6.64 0.19 1.04 1.01 -1.26 -4.91 116.67 114.17 1rbq s ASP 142 Ca -0.13 2.41 -0.33 0.00 0.71 0.00 0.00 52.55 55.20 1rbq s ASP 142 Cb 0.10 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.34 1rbq s ASP 142 CO 0.69 -0.87 1.61 0.52 0.21 0.00 0.00 175.17 177.33 1rbq n VAL 143 N 4.83 0.10 -2.99 -1.27 0.31 -1.26 -2.38 118.33 115.68 1rbq n VAL 143 Ca 0.16 -0.03 -0.20 0.00 -0.01 0.00 0.00 64.34 64.26 1rbq n VAL 143 Cb 0.41 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1rbq n VAL 143 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rbq n ASP 144 N 3.45 -4.40 0.00 4.52 8.00 -1.26 -4.82 116.55 122.04 1rbq n ASP 144 Ca 0.16 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1rbq n ASP 144 Cb 0.31 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 1rbq n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rbq n ALA 145 N -3.10 1.54 -1.50 2.24 0.00 -1.00 -4.95 120.51 113.74 1rbq n ALA 145 Ca -0.08 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.38 1rbq n ALA 145 Cb 0.58 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.17 1rbq n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rbq s GLY 146 N -0.46 1.57 0.26 0.00 0.00 -1.24 -4.89 107.32 102.56 1rbq s GLY 146 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 1rbq s GLY 146 CO 0.00 0.05 1.56 1.20 0.00 0.00 0.00 173.10 175.91 1rbq s GLN 147 N -5.25 4.17 0.00 2.90 -1.52 -1.24 -4.62 119.66 114.10 1rbq s GLN 147 Ca 0.64 2.48 -0.30 0.00 -1.95 0.00 0.00 55.36 56.23 1rbq s GLN 147 Cb -0.15 -3.06 -0.03 0.00 -0.22 0.00 0.00 33.01 29.54 1rbq s GLN 147 CO 0.54 -0.58 1.00 0.42 -0.25 0.00 0.00 175.29 176.42 1rbq s ILE 148 N 0.18 4.79 -0.14 1.08 1.01 -1.26 -0.98 121.20 125.88 1rbq s ILE 148 Ca 0.64 2.00 -0.12 0.00 0.00 0.00 0.00 60.65 63.17 1rbq s ILE 148 Cb -0.46 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 1rbq s ILE 148 CO 0.44 0.15 -0.24 -0.38 0.00 0.00 0.00 174.94 174.91 1rbq n ILE 149 N 3.93 1.22 -4.08 2.92 5.41 0.14 -4.93 119.36 123.97 1rbq n ILE 149 Ca 0.06 0.22 -0.11 0.00 1.00 0.00 0.00 62.75 63.93 1rbq n ILE 149 Cb 0.50 -2.22 -0.11 0.00 -0.71 0.00 0.00 39.64 37.11 1rbq n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rbq s LEU 150 N -7.49 2.36 0.04 1.39 1.43 -1.15 -5.02 118.68 110.25 1rbq s LEU 150 Ca -0.20 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 1rbq s LEU 150 Cb 0.03 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.20 1rbq s LEU 150 CO 0.29 -0.36 0.08 -1.10 0.23 0.00 0.00 176.35 175.50 1rbq s GLN 151 N -2.57 0.61 -0.07 1.70 -0.21 -1.26 -0.67 119.66 117.18 1rbq s GLN 151 Ca -0.02 -0.84 -0.03 0.00 0.02 0.00 0.00 55.36 54.49 1rbq s GLN 151 Cb -0.03 0.24 0.04 0.00 1.00 0.00 0.00 33.01 34.26 1rbq s GLN 151 CO -0.03 -0.15 0.16 -2.00 -2.12 0.00 0.00 175.29 171.15 1rbq s GLU 152 N -2.90 0.11 0.31 2.91 2.12 -0.66 -4.99 118.70 115.60 1rbq s GLU 152 Ca -0.02 0.40 -0.26 0.00 0.36 0.00 0.00 54.97 55.44 1rbq s GLU 152 Cb 0.01 -0.17 -0.10 0.00 0.26 0.00 0.00 34.13 34.12 1rbq s GLU 152 CO -0.06 -0.17 0.94 0.00 -0.54 0.00 0.00 175.26 175.43 1rbq s ALA 153 N 1.22 3.22 -0.03 6.30 0.00 -1.26 -1.38 121.76 129.84 1rbq s ALA 153 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1rbq s ALA 153 Cb -0.11 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1rbq s ALA 153 CO -0.06 0.18 0.00 0.08 0.00 0.00 0.00 175.76 175.96 1rbq s VAL 154 N -1.58 0.15 0.53 0.00 1.01 0.50 -4.90 120.40 116.12 1rbq s VAL 154 Ca 0.49 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.35 1rbq s VAL 154 Cb -0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 1rbq s VAL 154 CO 0.24 0.13 1.20 -2.16 0.00 0.00 0.00 175.10 174.51 1rbq s PRO 155 N 0.91 3.34 -0.16 2.72 0.04 -1.26 -1.01 135.00 139.58 1rbq s PRO 155 Ca -0.09 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 1rbq s PRO 155 Cb -0.12 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1rbq s PRO 155 CO -0.02 -0.91 0.34 0.08 0.04 0.00 0.00 177.00 176.53 1rbq s VAL 156 N -1.58 5.28 -0.08 -0.36 1.01 0.12 -4.77 120.40 120.03 1rbq s VAL 156 Ca 0.71 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 1rbq s VAL 156 Cb -0.30 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1rbq s VAL 156 CO 0.34 0.36 0.41 -0.54 0.00 0.00 0.00 175.10 175.68 1rbq s LYS 157 N 0.57 4.15 0.03 2.72 1.02 -1.26 -4.81 119.74 122.16 1rbq s LYS 157 Ca 0.18 0.36 -0.36 0.00 0.02 0.00 0.00 55.97 56.17 1rbq s LYS 157 Cb -0.13 -3.35 -0.15 0.00 -0.52 0.00 0.00 37.83 33.67 1rbq s LYS 157 CO 0.05 0.39 1.52 0.54 -0.92 0.00 0.00 175.35 176.93 1rbq n ARG 158 N 2.91 1.51 -0.84 1.68 1.74 -1.26 -0.65 116.66 121.74 1rbq n ARG 158 Ca -0.11 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1rbq n ARG 158 Cb 0.52 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1rbq n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rbq n GLY 159 N 3.20 0.65 3.66 -0.13 0.00 -1.26 -5.04 105.19 106.26 1rbq n GLY 159 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1rbq n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rbq n ASP 160 N 0.00 1.76 -4.98 1.61 8.00 0.18 -5.05 116.55 118.08 1rbq n ASP 160 Ca 0.00 1.02 -0.22 0.00 0.71 0.00 0.00 54.79 56.29 1rbq n ASP 160 Cb 0.00 -1.43 0.03 0.00 -0.02 0.00 0.00 41.12 39.70 1rbq n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rbq s THR 161 N -1.29 1.96 0.17 -3.53 -4.23 -1.26 -4.95 115.64 102.50 1rbq s THR 161 Ca 0.65 -1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 59.81 1rbq s THR 161 Cb -0.50 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.22 1rbq s THR 161 CO 0.55 0.00 1.77 0.58 -0.54 0.00 0.00 174.62 176.98 1rbq h VAL 162 N 0.44 0.94 -0.32 2.29 2.07 -1.96 -1.65 116.25 118.04 1rbq h VAL 162 Ca -0.33 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1rbq h VAL 162 Cb 1.29 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1rbq h VAL 162 CO 0.48 0.07 0.21 0.00 0.02 0.00 0.00 177.57 178.36 1rbq h ALA 163 N 1.25 0.41 -0.24 1.67 0.00 -1.98 0.80 119.26 121.16 1rbq h ALA 163 Ca 0.19 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 1rbq h ALA 163 Cb 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rbq h ALA 163 CO -0.16 -0.12 -0.52 1.79 0.00 0.00 0.00 179.25 180.24 1rbq h THR 164 N 0.44 1.30 -0.37 0.00 1.35 -1.91 -2.17 112.91 111.55 1rbq h THR 164 Ca 0.12 -1.74 -0.10 0.00 -0.55 0.00 0.00 66.41 64.14 1rbq h THR 164 Cb -0.04 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1rbq h THR 164 CO -0.03 0.55 -0.18 0.25 -0.25 0.00 0.00 175.52 175.87 1rbq h LEU 165 N 0.54 0.79 -0.55 3.87 5.85 -1.24 -2.74 115.31 121.83 1rbq h LEU 165 Ca 0.02 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1rbq h LEU 165 Cb 1.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1rbq h LEU 165 CO 0.11 1.02 0.35 -1.28 -0.34 0.00 0.00 178.44 178.30 1rbq h SER 166 N 0.56 0.60 -0.81 1.25 0.87 -0.80 -1.25 113.55 113.98 1rbq h SER 166 Ca 0.08 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1rbq h SER 166 Cb 0.72 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 1rbq h SER 166 CO 0.05 0.43 0.49 -0.33 -0.53 0.00 0.00 176.83 176.95 1rbq h GLU 167 N 0.72 1.10 -0.50 2.24 4.39 -1.35 0.40 114.58 121.57 1rbq h GLU 167 Ca 0.21 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 1rbq h GLU 167 Cb -0.05 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.35 1rbq h GLU 167 CO -0.06 0.77 -0.17 -0.09 -1.16 0.00 0.00 179.01 178.30 1rbq h ARG 168 N 1.11 1.00 -0.32 2.33 2.43 -1.17 -2.78 114.38 116.99 1rbq h ARG 168 Ca 0.29 -0.41 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 1rbq h ARG 168 Cb -0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1rbq h ARG 168 CO -0.05 1.09 -0.43 0.28 -1.51 0.00 0.00 179.97 179.34 1rbq h VAL 169 N 0.88 1.28 -0.88 0.20 2.07 -1.05 -3.05 116.25 115.69 1rbq h VAL 169 Ca 0.12 -1.61 0.10 0.00 0.82 0.00 0.00 66.70 66.14 1rbq h VAL 169 Cb 0.75 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1rbq h VAL 169 CO 0.06 0.53 0.57 0.11 0.02 0.00 0.00 177.57 178.86 1rbq h LYS 170 N 0.65 0.83 -0.80 1.57 1.57 -0.78 -0.09 116.57 119.52 1rbq h LYS 170 Ca 0.05 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1rbq h LYS 170 Cb 1.00 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1rbq h LYS 170 CO 0.10 0.55 0.52 -0.07 -0.57 0.00 0.00 179.45 179.98 1rbq h LEU 171 N 0.85 0.75 0.08 2.94 3.38 -1.38 -0.95 115.31 120.99 1rbq h LEU 171 Ca 0.41 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 58.10 1rbq h LEU 171 Cb 0.44 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.06 1rbq h LEU 171 CO -0.18 0.48 -1.22 0.00 0.09 0.00 0.00 178.44 177.62 1rbq h ALA 172 N 1.57 0.06 -0.87 1.53 0.00 -1.25 -3.26 119.26 117.04 1rbq h ALA 172 Ca 0.34 -0.79 0.11 0.00 0.00 0.00 0.00 54.91 54.57 1rbq h ALA 172 Cb 0.25 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1rbq h ALA 172 CO -0.12 0.76 0.51 0.93 0.00 0.00 0.00 179.25 181.32 1rbq h GLU 173 N 0.23 0.80 0.00 0.00 5.08 -0.42 0.64 114.58 120.90 1rbq h GLU 173 Ca -0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1rbq h GLU 173 Cb 1.89 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1rbq h GLU 173 CO 0.22 0.53 0.00 0.45 -1.00 0.00 0.00 179.01 179.21 1rbq h HIS 174 N 0.82 0.00 0.00 4.33 3.86 -1.24 -1.48 115.15 121.44 1rbq h HIS 174 Ca 0.43 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.51 1rbq h HIS 174 Cb 0.43 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 1rbq h HIS 174 CO -0.05 0.00 -0.85 0.87 0.86 0.00 0.00 177.93 178.76 1rbq h LYS 175 N 0.00 0.00 0.00 2.45 1.57 -0.96 -3.41 116.57 116.21 1rbq h LYS 175 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1rbq h LYS 175 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1rbq h LYS 175 CO 0.00 0.70 -0.83 -0.84 -0.57 0.00 0.00 179.45 177.91 1rbq h ILE 176 N -1.00 1.59 0.18 1.86 3.07 -1.14 -3.04 117.51 119.04 1rbq h ILE 176 Ca -0.20 -2.83 -0.01 0.00 1.55 0.00 0.00 64.86 63.37 1rbq h ILE 176 Cb 1.00 2.53 0.00 0.00 -0.27 0.00 0.00 36.82 40.08 1rbq h ILE 176 CO -0.12 0.81 -0.09 0.15 -1.05 0.00 0.00 178.15 177.85 1rbq h PHE 177 N 0.01 -0.23 -0.96 0.16 3.57 -1.52 -0.11 116.94 117.86 1rbq h PHE 177 Ca -0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1rbq h PHE 177 Cb 1.47 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 40.22 1rbq h PHE 177 CO 0.00 0.03 0.62 -1.35 -2.23 0.00 0.00 178.31 175.39 1rbq h PRO 178 N -0.47 1.12 -0.64 6.41 0.11 -1.80 -0.39 132.00 136.35 1rbq h PRO 178 Ca -0.02 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1rbq h PRO 178 Cb 0.36 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1rbq h PRO 178 CO 0.04 0.74 0.33 0.00 -0.21 0.00 0.00 178.00 178.90 1rbq h ALA 179 N 1.42 0.82 -0.31 -0.75 0.00 -1.40 -1.51 119.26 117.54 1rbq h ALA 179 Ca 0.40 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1rbq h ALA 179 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1rbq h ALA 179 CO -0.15 0.36 -0.45 0.00 0.00 0.00 0.00 179.25 179.00 1rbq h ALA 180 N 1.15 0.63 -0.14 0.00 0.00 -0.79 -1.96 119.26 118.15 1rbq h ALA 180 Ca 0.22 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1rbq h ALA 180 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1rbq h ALA 180 CO -0.03 0.67 -0.01 1.25 0.00 0.00 0.00 179.25 181.13 1rbq h LEU 181 N 0.64 -0.08 -0.85 0.00 5.85 -0.88 -1.36 115.31 118.62 1rbq h LEU 181 Ca 0.04 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.88 1rbq h LEU 181 Cb 1.02 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1rbq h LEU 181 CO 0.10 -0.02 0.50 1.56 -0.34 0.00 0.00 178.44 180.24 1rbq h GLN 182 N 0.03 0.83 -0.43 1.25 1.08 -1.12 0.34 115.11 117.09 1rbq h GLN 182 Ca 0.07 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1rbq h GLN 182 Cb 0.09 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 1rbq h GLN 182 CO -0.13 0.55 0.26 -0.07 -0.95 0.00 0.00 178.83 178.49 1rbq h LEU 183 N 0.86 0.42 -0.02 1.46 3.38 -0.95 -0.69 115.31 119.77 1rbq h LEU 183 Ca 0.40 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.19 1rbq h LEU 183 Cb 0.33 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1rbq h LEU 183 CO -0.23 0.30 -0.71 0.58 0.09 0.00 0.00 178.44 178.47 1rbq h VAL 184 N 0.52 1.38 -0.35 1.22 2.07 -0.66 -0.72 116.25 119.71 1rbq h VAL 184 Ca 0.17 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1rbq h VAL 184 Cb 0.00 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1rbq h VAL 184 CO -0.07 0.62 0.22 0.00 0.02 0.00 0.00 177.57 178.36 1rbq h ALA 185 N 0.37 1.73 -0.00 1.67 0.00 -0.26 -1.50 119.26 121.26 1rbq h ALA 185 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rbq h ALA 185 Cb 1.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1rbq h ALA 185 CO 0.14 0.25 -0.25 -1.13 0.00 0.00 0.00 179.25 178.26 1rbq n SER 186 N -4.47 0.32 -0.22 0.00 3.41 -0.27 -4.59 113.62 107.79 1rbq n SER 186 Ca 0.02 -0.03 -0.03 0.00 -0.26 0.00 0.00 58.87 58.57 1rbq n SER 186 Cb 0.07 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 1rbq n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rbq n GLY 187 N 1.46 0.60 0.20 5.00 0.00 -0.56 -4.91 105.19 106.98 1rbq n GLY 187 Ca 0.08 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1rbq n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rbq h THR 188 N 0.00 1.34 -3.27 2.61 2.02 -1.41 -3.42 112.91 110.77 1rbq h THR 188 Ca -0.06 -1.93 -0.68 0.00 0.77 0.00 0.00 66.41 64.52 1rbq h THR 188 Cb 0.28 1.91 -0.33 0.00 -1.74 0.00 0.00 68.15 68.27 1rbq h THR 188 CO 0.09 0.59 -0.87 -0.69 0.37 0.00 0.00 175.52 175.01 1rbq s VAL 189 N -3.84 2.07 0.13 3.16 1.01 -0.62 0.31 120.40 122.63 1rbq s VAL 189 Ca -0.07 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1rbq s VAL 189 Cb 0.11 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1rbq s VAL 189 CO 0.85 0.55 -0.12 -1.10 0.00 0.00 0.00 175.10 175.28 1rbq s GLN 190 N 0.60 1.03 -0.32 2.72 -0.21 0.28 -4.27 119.66 119.48 1rbq s GLN 190 Ca -0.12 -1.33 -0.24 0.00 0.02 0.00 0.00 55.36 53.68 1rbq s GLN 190 Cb -0.17 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.09 1rbq s GLN 190 CO 0.03 0.12 0.82 -1.17 -2.12 0.00 0.00 175.29 172.97 1rbq s LEU 191 N -2.79 4.08 0.94 2.90 0.20 -1.26 -0.42 118.68 122.33 1rbq s LEU 191 Ca 0.12 0.63 -0.13 0.00 0.69 0.00 0.00 54.13 55.44 1rbq s LEU 191 Cb -0.01 -3.11 0.16 0.00 -0.43 0.00 0.00 46.19 42.79 1rbq s LEU 191 CO 0.02 -0.67 1.16 -0.83 -0.29 0.00 0.00 176.35 175.74 1rbq s GLY 192 N 1.68 1.60 0.22 7.98 0.00 0.14 -4.94 107.32 114.00 1rbq s GLY 192 Ca 0.33 -0.66 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 1rbq s GLY 192 CO 0.14 -0.05 1.78 0.83 0.00 0.00 0.00 173.10 175.80 1rbq h GLU 193 N -1.59 1.17 -0.26 2.90 5.08 -1.97 -2.22 114.58 117.69 1rbq h GLU 193 Ca -0.49 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 1rbq h GLU 193 Cb 1.32 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1rbq h GLU 193 CO 0.57 0.96 0.00 0.27 -1.00 0.00 0.00 179.01 179.80 1rbq n ASN 194 N -4.27 0.26 0.00 1.42 6.94 -1.26 -4.81 115.26 113.54 1rbq n ASN 194 Ca 0.07 -1.12 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1rbq n ASN 194 Cb 0.20 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 1rbq n ASN 194 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rbq n GLY 195 N 0.14 0.47 3.81 4.83 0.00 -0.83 -4.98 105.19 108.62 1rbq n GLY 195 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1rbq n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rbq s LYS 196 N -0.58 3.00 0.30 1.61 -0.14 -1.26 -4.78 119.74 117.90 1rbq s LYS 196 Ca 0.00 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 1rbq s LYS 196 Cb 0.00 -2.77 -0.12 0.00 -1.68 0.00 0.00 37.83 33.26 1rbq s LYS 196 CO 0.00 0.55 1.59 1.51 -0.76 0.00 0.00 175.35 178.24 1rbq n ILE 197 N 0.22 1.13 -4.49 2.17 3.06 -1.26 -0.69 119.36 119.51 1rbq n ILE 197 Ca -0.08 -0.28 -0.23 0.00 -2.50 0.00 0.00 62.75 59.65 1rbq n ILE 197 Cb 0.52 -1.97 -0.16 0.00 0.54 0.00 0.00 39.64 38.56 1rbq n ILE 197 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1rbq s TRP 199 N 0.69 3.34 -2.91 0.00 0.52 -1.26 -0.56 118.94 118.77 1rbq s TRP 199 Ca -0.14 0.22 0.25 0.00 0.02 0.00 0.00 56.10 56.45 1rbq s TRP 199 Cb -0.15 -2.10 0.35 0.00 -1.15 0.00 0.00 33.47 30.42 1rbq s TRP 199 CO 0.03 0.26 1.35 0.28 0.02 0.00 0.00 176.95 178.89