#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rgd s THR 2 N 0.00 4.39 -0.12 3.17 2.01 -1.25 -4.85 115.64 118.98 2rgd s THR 2 Ca 0.00 1.75 -0.03 0.00 0.31 0.00 0.00 61.69 63.72 2rgd s THR 2 Cb 0.00 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2rgd s THR 2 CO 0.00 0.16 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.36 2rgd s GLU 3 N 0.87 3.33 -0.19 4.92 2.12 -1.26 -0.30 118.70 128.19 2rgd s GLU 3 Ca 0.55 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.42 2rgd s GLU 3 Cb -0.26 -2.85 0.03 0.00 0.26 0.00 0.00 34.13 31.31 2rgd s GLU 3 CO 0.29 0.46 -0.19 0.71 -0.54 0.00 0.00 175.26 176.00 2rgd s TYR 4 N -0.23 2.84 -0.53 5.30 2.02 0.57 -4.94 117.35 122.38 2rgd s TYR 4 Ca 0.05 -1.74 -0.20 0.00 -0.37 0.00 0.00 57.07 54.81 2rgd s TYR 4 Cb -0.13 -1.92 0.06 0.00 -0.40 0.00 0.00 41.96 39.58 2rgd s TYR 4 CO 0.02 -0.82 0.69 0.15 -1.57 0.00 0.00 175.55 174.03 2rgd s LYS 5 N 1.27 3.15 0.03 -0.62 1.02 -1.26 -1.26 119.74 122.06 2rgd s LYS 5 Ca 0.03 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.20 2rgd s LYS 5 Cb -0.14 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.02 2rgd s LYS 5 CO -0.12 -1.31 0.13 -0.51 -0.92 0.00 0.00 175.35 172.63 2rgd s LEU 6 N 2.89 4.09 -0.04 3.17 1.43 0.11 -0.44 118.68 129.89 2rgd s LEU 6 Ca 0.17 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 2rgd s LEU 6 Cb -0.18 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.50 2rgd s LEU 6 CO 0.13 0.23 -0.09 -0.69 0.23 0.00 0.00 176.35 176.15 2rgd s VAL 7 N -1.33 0.84 -0.23 -1.59 1.01 -0.38 -0.49 120.40 118.23 2rgd s VAL 7 Ca 0.28 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2rgd s VAL 7 Cb -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2rgd s VAL 7 CO 0.20 0.28 0.04 -0.69 0.00 0.00 0.00 175.10 174.92 2rgd s VAL 8 N 0.55 4.07 0.21 2.92 1.01 -0.30 -0.92 120.40 127.94 2rgd s VAL 8 Ca -0.09 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2rgd s VAL 8 Cb -0.13 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2rgd s VAL 8 CO 0.02 0.37 -0.09 0.68 0.00 0.00 0.00 175.10 176.08 2rgd s VAL 9 N 1.46 1.45 0.00 2.92 -7.23 -0.48 -2.93 120.40 115.59 2rgd s VAL 9 Ca 0.05 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2rgd s VAL 9 Cb -0.15 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2rgd s VAL 9 CO 0.02 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 174.89 2rgd n GLY 10 N -0.38 3.05 3.55 2.32 0.00 -1.26 -0.88 105.19 111.58 2rgd n GLY 10 Ca -0.08 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 2rgd n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rgd n ALA 11 N -1.49 -1.52 -1.77 4.61 0.00 -1.25 -4.12 120.51 114.97 2rgd n ALA 11 Ca 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 2rgd n ALA 11 Cb 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 17.44 2rgd n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2rgd s GLY 12 N -2.19 2.44 0.00 0.00 0.00 -1.19 -2.78 107.32 103.61 2rgd s GLY 12 Ca 0.63 1.59 0.00 0.00 0.00 0.00 0.00 44.72 46.94 2rgd s GLY 12 CO 0.61 2.45 0.00 0.61 0.00 0.00 0.00 173.10 176.77 2rgd n GLY 13 N 1.46 0.71 0.16 0.20 0.00 -1.26 -4.90 105.19 101.56 2rgd n GLY 13 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2rgd n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2rgd h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.87 -3.47 116.25 111.01 2rgd h VAL 14 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 2rgd h VAL 14 Cb 0.05 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2rgd h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2rgd n GLY 15 N 0.44 1.63 0.09 5.19 0.00 -1.26 -4.60 105.19 106.68 2rgd n GLY 15 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2rgd n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rgd h LYS 16 N 0.00 -0.06 -0.26 1.61 1.57 -1.90 -0.10 116.57 117.43 2rgd h LYS 16 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2rgd h LYS 16 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2rgd h LYS 16 CO 0.00 -0.04 0.04 0.77 -0.57 0.00 0.00 179.45 179.65 2rgd h SER 17 N -0.06 0.41 -0.82 0.86 0.02 -1.96 -1.82 113.55 110.18 2rgd h SER 17 Ca 0.04 -0.26 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 2rgd h SER 17 Cb 0.12 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2rgd h SER 17 CO -0.09 0.57 0.50 0.00 -1.14 0.00 0.00 176.83 176.68 2rgd h ALA 18 N 0.86 1.13 0.04 3.77 0.00 -1.87 0.91 119.26 124.11 2rgd h ALA 18 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rgd h ALA 18 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2rgd h ALA 18 CO 0.01 0.22 -0.02 -0.07 0.00 0.00 0.00 179.25 179.39 2rgd h LEU 19 N 0.91 -0.04 -0.18 0.00 3.38 -0.84 -0.91 115.31 117.63 2rgd h LEU 19 Ca 0.36 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2rgd h LEU 19 Cb 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2rgd h LEU 19 CO -0.18 0.10 0.11 0.74 0.09 0.00 0.00 178.44 179.30 2rgd h THR 20 N -0.19 1.07 -0.29 0.22 2.02 -0.90 -1.75 112.91 113.09 2rgd h THR 20 Ca -0.01 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2rgd h THR 20 Cb 0.17 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2rgd h THR 20 CO 0.01 0.07 -0.07 0.40 0.37 0.00 0.00 175.52 176.29 2rgd h ILE 21 N 0.21 1.21 -0.45 3.11 2.04 -0.81 -0.35 117.51 122.47 2rgd h ILE 21 Ca 0.06 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 2rgd h ILE 21 Cb 0.02 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2rgd h ILE 21 CO -0.01 0.29 -0.09 -0.61 0.00 0.00 0.00 178.15 177.73 2rgd h GLN 22 N 0.45 0.85 -0.07 2.37 5.75 -0.94 0.46 115.11 123.98 2rgd h GLN 22 Ca 0.09 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2rgd h GLN 22 Cb 0.41 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 2rgd h GLN 22 CO 0.02 0.95 0.02 1.25 -2.65 0.00 0.00 178.83 178.42 2rgd h LEU 23 N 0.69 0.11 0.18 -2.39 5.85 -0.74 -1.48 115.31 117.53 2rgd h LEU 23 Ca 0.12 -0.22 -0.27 0.00 0.84 0.00 0.00 57.88 58.35 2rgd h LEU 23 Cb 0.62 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.65 2rgd h LEU 23 CO 0.04 0.29 -1.27 0.40 -0.34 0.00 0.00 178.44 177.57 2rgd h ILE 24 N -0.09 1.27 -0.01 4.05 1.08 -1.06 -3.39 117.51 119.35 2rgd h ILE 24 Ca 0.02 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.93 2rgd h ILE 24 Cb 0.23 3.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.98 2rgd h ILE 24 CO -0.00 0.76 -0.14 0.00 -0.69 0.00 0.00 178.15 178.08 2rgd n GLN 25 N -3.89 1.41 -3.64 2.37 6.02 0.16 -5.03 117.38 114.79 2rgd n GLN 25 Ca -0.18 -1.00 -0.24 0.00 -0.01 0.00 0.00 57.00 55.57 2rgd n GLN 25 Cb 0.96 -1.22 0.07 0.00 1.02 0.00 0.00 30.24 31.07 2rgd n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2rgd n ASN 26 N 0.27 -5.12 -3.65 1.08 3.02 -0.56 -4.96 115.26 105.35 2rgd n ASN 26 Ca 0.07 -0.61 -0.12 0.00 -0.03 0.00 0.00 54.58 53.88 2rgd n ASN 26 Cb 0.31 -4.78 -0.06 0.00 -0.61 0.00 0.00 39.78 34.63 2rgd n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2rgd s HIS 27 N -3.34 -0.26 -0.21 3.10 -3.43 -1.26 -5.01 115.29 104.87 2rgd s HIS 27 Ca 0.48 0.15 -0.13 0.00 -0.80 0.00 0.00 55.06 54.75 2rgd s HIS 27 Cb -0.22 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 2rgd s HIS 27 CO 0.75 -0.61 0.28 0.12 -2.00 0.00 0.00 174.74 173.29 2rgd s PHE 28 N -2.84 3.36 -0.42 0.38 5.36 -1.26 -3.64 117.98 118.92 2rgd s PHE 28 Ca -0.03 0.44 -0.24 0.00 -0.96 0.00 0.00 56.93 56.15 2rgd s PHE 28 Cb -0.00 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 2rgd s PHE 28 CO -0.05 0.05 0.82 0.08 -1.46 0.00 0.00 175.22 174.66 2rgd s VAL 29 N 1.11 4.64 0.10 3.12 1.01 -1.26 -4.91 120.40 124.21 2rgd s VAL 29 Ca 0.14 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.80 2rgd s VAL 29 Cb -0.14 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 2rgd s VAL 29 CO 0.06 -0.64 1.23 0.44 0.00 0.00 0.00 175.10 176.19 2rgd h ASP 30 N 8.81 0.22 -3.99 3.32 3.32 -2.01 -3.47 116.42 122.63 2rgd h ASP 30 Ca -0.25 -0.23 -0.48 0.00 0.02 0.00 0.00 57.03 56.09 2rgd h ASP 30 Cb 1.09 -0.07 0.07 0.00 0.22 0.00 0.00 39.33 40.63 2rgd h ASP 30 CO 0.96 1.17 0.27 -1.83 -1.72 0.00 0.00 179.24 178.09 2rgd s GLU 31 N -2.74 2.88 -0.38 3.56 -1.05 -1.26 -5.06 118.70 114.66 2rgd s GLU 31 Ca -0.02 0.18 -0.01 0.00 -0.15 0.00 0.00 54.97 54.98 2rgd s GLU 31 Cb 0.09 -2.17 0.10 0.00 -0.44 0.00 0.00 34.13 31.71 2rgd s GLU 31 CO 0.85 -0.85 0.14 -0.47 0.95 0.00 0.00 175.26 175.88 2rgd s TYR 32 N -3.15 3.60 -0.34 4.83 6.04 -1.26 -5.05 117.35 122.02 2rgd s TYR 32 Ca 0.56 -2.53 -0.03 0.00 0.04 0.00 0.00 57.07 55.11 2rgd s TYR 32 Cb -0.11 -3.02 0.07 0.00 -1.04 0.00 0.00 41.96 37.86 2rgd s TYR 32 CO 0.48 -0.95 0.09 -0.51 -1.54 0.00 0.00 175.55 173.12 2rgd s ASP 33 N 1.50 5.13 0.25 4.32 -0.00 -1.26 -5.08 116.67 121.53 2rgd s ASP 33 Ca 0.07 -1.47 -0.30 0.00 -0.00 0.00 0.00 52.55 50.85 2rgd s ASP 33 Cb -0.21 -1.79 -0.14 0.00 -0.00 0.00 0.00 42.92 40.77 2rgd s ASP 33 CO -0.05 -0.37 1.26 -2.65 -0.00 0.00 0.00 175.17 173.36 2rgd n PRO 34 N 4.67 1.73 -3.56 8.23 -0.02 -1.26 -4.97 135.00 139.83 2rgd n PRO 34 Ca -0.10 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 2rgd n PRO 34 Cb 0.43 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 2rgd n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2rgd s THR 35 N -0.45 5.07 0.00 3.45 2.01 -1.26 -5.02 115.64 119.44 2rgd s THR 35 Ca 0.65 0.40 0.00 0.00 0.31 0.00 0.00 61.69 63.05 2rgd s THR 35 Cb -0.69 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.18 2rgd s THR 35 CO 0.54 0.18 0.00 -0.38 -0.69 0.00 0.00 174.62 174.27 2rgd n ILE 36 N 0.57 0.00 -3.18 1.82 2.08 -1.26 -4.17 119.36 115.22 2rgd n ILE 36 Ca -0.05 0.26 0.03 0.00 0.56 0.00 0.00 62.75 63.55 2rgd n ILE 36 Cb 0.52 -1.23 -0.02 0.00 -0.75 0.00 0.00 39.64 38.17 2rgd n ILE 36 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2rgd s GLU 37 N -0.52 0.56 0.14 0.38 0.41 -1.26 -2.57 118.70 115.83 2rgd s GLU 37 Ca 0.00 0.99 0.10 0.00 -0.41 0.00 0.00 54.97 55.65 2rgd s GLU 37 Cb 0.00 0.51 -0.04 0.00 -1.78 0.00 0.00 34.13 32.82 2rgd s GLU 37 CO 0.00 -0.61 -0.24 -0.51 -0.49 0.00 0.00 175.26 173.41 2rgd s ASP 38 N 2.84 3.06 0.06 -0.19 1.01 -0.19 -4.98 116.67 118.27 2rgd s ASP 38 Ca 0.20 -0.77 0.06 0.00 0.71 0.00 0.00 52.55 52.75 2rgd s ASP 38 Cb -0.15 -0.20 -0.03 0.00 1.01 0.00 0.00 42.92 43.56 2rgd s ASP 38 CO -0.21 0.11 -0.17 -0.94 0.21 0.00 0.00 175.17 174.18 2rgd s SER 39 N -2.22 2.00 0.08 0.27 1.04 -1.26 0.10 113.70 113.71 2rgd s SER 39 Ca 0.14 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.08 2rgd s SER 39 Cb -0.09 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 2rgd s SER 39 CO 0.06 0.05 -0.15 -0.31 0.98 0.00 0.00 173.24 173.88 2rgd s TYR 40 N -0.97 1.25 -0.01 5.02 2.02 0.55 -4.97 117.35 120.24 2rgd s TYR 40 Ca 0.03 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2rgd s TYR 40 Cb -0.09 -0.70 0.01 0.00 -0.40 0.00 0.00 41.96 40.78 2rgd s TYR 40 CO 0.02 0.07 0.00 0.50 -1.57 0.00 0.00 175.55 174.57 2rgd s ARG 41 N -1.80 0.11 -0.27 -0.62 3.52 -1.26 -0.12 118.95 118.52 2rgd s ARG 41 Ca -0.01 0.04 -0.23 0.00 -0.13 0.00 0.00 55.73 55.40 2rgd s ARG 41 Cb -0.10 -0.22 0.07 0.00 -1.56 0.00 0.00 34.95 33.14 2rgd s ARG 41 CO 0.02 -0.05 0.70 0.21 -0.81 0.00 0.00 175.30 175.37 2rgd s LYS 42 N 0.46 0.81 -0.09 5.12 2.20 -0.64 -4.99 119.74 122.61 2rgd s LYS 42 Ca -0.04 1.02 -0.23 0.00 -0.36 0.00 0.00 55.97 56.37 2rgd s LYS 42 Cb -0.06 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.58 2rgd s LYS 42 CO -0.01 -0.11 0.68 -0.65 -0.36 0.00 0.00 175.35 174.90 2rgd s GLN 43 N 0.59 4.39 0.03 4.03 -0.21 -1.26 -1.16 119.66 126.07 2rgd s GLN 43 Ca -0.02 0.82 -0.03 0.00 0.02 0.00 0.00 55.36 56.15 2rgd s GLN 43 Cb -0.05 -3.47 -0.02 0.00 1.00 0.00 0.00 33.01 30.47 2rgd s GLN 43 CO -0.03 0.01 0.04 0.14 -2.12 0.00 0.00 175.29 173.33 2rgd s VAL 44 N 1.00 0.14 -0.26 1.09 -7.23 -0.17 -4.98 120.40 109.99 2rgd s VAL 44 Ca 0.35 -1.17 -0.10 0.00 -1.81 0.00 0.00 61.98 59.25 2rgd s VAL 44 Cb -0.17 -0.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.90 2rgd s VAL 44 CO 0.16 -0.64 0.16 -0.69 -0.31 0.00 0.00 175.10 173.78 2rgd s VAL 45 N -2.49 5.19 -0.15 1.32 1.01 -1.26 -0.68 120.40 123.34 2rgd s VAL 45 Ca -0.06 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2rgd s VAL 45 Cb -0.02 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2rgd s VAL 45 CO -0.04 0.29 -0.15 -0.63 0.00 0.00 0.00 175.10 174.56 2rgd s ILE 46 N 1.51 1.66 -1.48 2.22 1.01 0.04 -4.73 121.20 121.44 2rgd s ILE 46 Ca 0.07 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 2rgd s ILE 46 Cb -0.15 -1.54 0.06 0.00 0.01 0.00 0.00 42.46 40.83 2rgd s ILE 46 CO 0.08 0.47 0.79 0.47 0.00 0.00 0.00 174.94 176.75 2rgd n ASP 47 N 4.69 -2.89 0.00 3.58 8.00 -1.26 -0.97 116.55 127.70 2rgd n ASP 47 Ca -0.18 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2rgd n ASP 47 Cb 0.50 -3.63 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 2rgd n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rgd n GLY 48 N -1.67 2.57 3.64 0.44 0.00 -1.26 -5.00 105.19 103.91 2rgd n GLY 48 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2rgd n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rgd s GLU 49 N -0.02 4.04 -0.32 1.61 2.12 -0.14 -5.05 118.70 120.96 2rgd s GLU 49 Ca 0.00 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 2rgd s GLU 49 Cb 0.00 -3.58 0.01 0.00 0.26 0.00 0.00 34.13 30.82 2rgd s GLU 49 CO 0.00 -0.04 1.14 0.99 -0.54 0.00 0.00 175.26 176.81 2rgd s THR 50 N 1.34 4.40 0.10 -1.70 2.01 -1.26 -0.78 115.64 119.75 2rgd s THR 50 Ca 0.09 1.61 0.03 0.00 0.31 0.00 0.00 61.69 63.72 2rgd s THR 50 Cb -0.14 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 2rgd s THR 50 CO 0.07 -0.49 -0.08 0.00 -0.69 0.00 0.00 174.62 173.42 2rgd s LEU 52 N -2.68 4.04 -0.26 0.00 2.96 0.59 -1.00 118.68 122.33 2rgd s LEU 52 Ca 0.08 -0.07 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 2rgd s LEU 52 Cb 0.00 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2rgd s LEU 52 CO -0.02 -0.07 0.25 -0.76 -1.32 0.00 0.00 176.35 174.43 2rgd s LEU 53 N 1.75 4.06 -0.31 -0.68 1.43 -0.31 -0.32 118.68 124.30 2rgd s LEU 53 Ca 0.07 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 2rgd s LEU 53 Cb -0.16 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.86 2rgd s LEU 53 CO 0.10 -0.06 0.06 -1.81 0.23 0.00 0.00 176.35 174.88 2rgd s ASP 54 N 1.47 5.08 -0.19 2.29 1.11 -0.39 -1.62 116.67 124.42 2rgd s ASP 54 Ca 0.10 -1.01 -0.03 0.00 0.18 0.00 0.00 52.55 51.80 2rgd s ASP 54 Cb -0.15 -1.82 -0.01 0.00 1.07 0.00 0.00 42.92 42.00 2rgd s ASP 54 CO 0.09 -0.26 -0.06 -0.63 1.18 0.00 0.00 175.17 175.49 2rgd s ILE 55 N 1.40 3.35 -0.27 0.77 1.01 0.83 0.07 121.20 128.36 2rgd s ILE 55 Ca -0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 2rgd s ILE 55 Cb -0.19 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2rgd s ILE 55 CO 0.01 0.46 0.29 -0.22 0.00 0.00 0.00 174.94 175.48 2rgd s LEU 56 N 1.09 4.05 -0.42 2.97 2.96 0.35 -0.33 118.68 129.35 2rgd s LEU 56 Ca 0.01 0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.96 2rgd s LEU 56 Cb -0.15 -2.30 0.03 0.00 0.50 0.00 0.00 46.19 44.27 2rgd s LEU 56 CO -0.01 -0.11 0.31 -0.62 -1.32 0.00 0.00 176.35 174.60 2rgd s ASP 57 N 1.58 6.09 0.47 3.68 2.15 0.28 -1.15 116.67 129.78 2rgd s ASP 57 Ca 0.12 -0.99 0.03 0.00 0.43 0.00 0.00 52.55 52.14 2rgd s ASP 57 Cb -0.16 -2.15 0.01 0.00 -0.30 0.00 0.00 42.92 40.33 2rgd s ASP 57 CO 0.10 -0.48 0.67 0.42 -0.17 0.00 0.00 175.17 175.70 2rgd s THR 58 N 1.66 3.25 0.22 1.71 -4.23 -1.15 -1.03 115.64 116.08 2rgd s THR 58 Ca 0.05 -0.73 -0.26 0.00 -1.18 0.00 0.00 61.69 59.57 2rgd s THR 58 Cb -0.20 -3.18 -0.09 0.00 1.34 0.00 0.00 72.50 70.38 2rgd s THR 58 CO 0.09 -0.11 0.85 0.00 -0.54 0.00 0.00 174.62 174.91 2rgd s ALA 59 N -2.56 3.37 -0.11 3.99 0.00 -1.06 -4.86 121.76 120.53 2rgd s ALA 59 Ca 0.53 0.44 0.20 0.00 0.00 0.00 0.00 51.96 53.13 2rgd s ALA 59 Cb -0.10 -3.05 -0.30 0.00 0.00 0.00 0.00 23.12 19.67 2rgd s ALA 59 CO 0.36 0.25 0.29 0.41 0.00 0.00 0.00 175.76 177.08 2rgd n GLY 60 N 1.27 -1.00 3.71 0.00 0.00 -1.26 -4.81 105.19 103.11 2rgd n GLY 60 Ca -0.03 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2rgd n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rgd s LEU 61 N -4.98 4.31 0.41 0.99 1.43 -1.26 -3.17 118.68 116.42 2rgd s LEU 61 Ca -0.09 1.34 0.15 0.00 -1.03 0.00 0.00 54.13 54.50 2rgd s LEU 61 Cb 0.10 -3.26 1.02 0.00 0.03 0.00 0.00 46.19 44.08 2rgd s LEU 61 CO 0.87 -0.20 1.89 1.05 0.23 0.00 0.00 176.35 180.19 2rgd h GLU 62 N 6.85 0.45 0.00 1.70 -0.00 -1.95 -0.39 114.58 121.24 2rgd h GLU 62 Ca -0.39 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 58.92 2rgd h GLU 62 Cb 1.19 -0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 29.84 2rgd h GLU 62 CO 0.76 0.30 -0.10 1.05 -0.00 0.00 0.00 179.01 181.02 2rgd h GLU 63 N 0.46 0.00 -0.10 1.06 4.11 -2.00 -2.48 114.58 115.64 2rgd h GLU 63 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 2rgd h GLU 63 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2rgd h GLU 63 CO -0.15 0.10 0.00 0.66 0.07 0.00 0.00 179.01 179.69 2rgd n TYR 64 N -4.14 0.11 -1.08 2.06 0.53 -0.25 -4.72 117.16 109.68 2rgd n TYR 64 Ca -0.03 -0.09 -0.16 0.00 -1.02 0.00 0.00 57.90 56.60 2rgd n TYR 64 Cb 0.19 -0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.43 2rgd n TYR 64 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2rgd n SER 65 N 0.83 5.95 0.00 7.72 2.88 -0.66 -4.66 113.62 125.68 2rgd n SER 65 Ca 0.10 -2.85 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 2rgd n SER 65 Cb 0.39 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 2rgd n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rgd n ALA 66 N 1.33 0.00 -0.28 -1.46 0.00 -1.26 -3.93 120.51 114.90 2rgd n ALA 66 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2rgd n ALA 66 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2rgd n ALA 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rgd n MET 67 N 0.00 0.82 -0.34 0.00 2.81 -1.26 -4.45 117.12 114.70 2rgd n MET 67 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 2rgd n MET 67 Cb 0.00 -1.09 0.30 0.00 -0.71 0.00 0.00 33.22 31.72 2rgd n MET 67 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2rgd h ARG 68 N 1.41 0.71 -1.00 0.03 2.43 -1.92 -1.08 114.38 114.95 2rgd h ARG 68 Ca 0.00 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 2rgd h ARG 68 Cb 0.82 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 2rgd h ARG 68 CO 0.00 0.47 0.63 -0.44 -1.51 0.00 0.00 179.97 179.12 2rgd h ASP 69 N 0.73 0.93 -0.51 -3.80 5.19 -1.89 -2.16 116.42 114.91 2rgd h ASP 69 Ca 0.56 0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.89 2rgd h ASP 69 Cb 0.86 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.21 2rgd h ASP 69 CO -0.38 0.50 -0.18 1.56 -3.12 0.00 0.00 179.24 177.61 2rgd h GLN 70 N 1.00 1.02 -0.56 3.56 7.50 -1.57 -2.85 115.11 123.21 2rgd h GLN 70 Ca 0.49 -0.42 -0.03 0.00 0.50 0.00 0.00 58.65 59.20 2rgd h GLN 70 Cb 0.48 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.94 2rgd h GLN 70 CO -0.26 1.10 0.25 1.88 -1.50 0.00 0.00 178.83 180.30 2rgd h TYR 71 N 0.89 0.83 0.00 2.96 -1.99 -1.31 -2.89 116.97 115.46 2rgd h TYR 71 Ca 0.12 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2rgd h TYR 71 Cb 0.76 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.23 2rgd h TYR 71 CO 0.05 0.66 0.00 0.52 -0.00 0.00 0.00 178.16 179.39 2rgd h MET 72 N 0.77 0.00 -0.84 4.88 2.86 -1.42 -3.35 114.93 117.83 2rgd h MET 72 Ca 0.19 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.04 2rgd h MET 72 Cb 0.16 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.69 2rgd h MET 72 CO -0.02 0.00 0.17 -0.09 1.06 0.00 0.00 176.91 178.03 2rgd h ARG 73 N 0.00 0.18 -0.00 1.72 2.43 -1.28 0.83 114.38 118.26 2rgd h ARG 73 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2rgd h ARG 73 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2rgd h ARG 73 CO 0.00 0.12 -0.04 0.25 -1.51 0.00 0.00 179.97 178.79 2rgd n THR 74 N -5.26 0.00 -1.63 0.20 -2.24 -1.26 -4.83 114.28 99.26 2rgd n THR 74 Ca 0.19 -0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.50 2rgd n THR 74 Cb 0.61 -0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 2rgd n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rgd n GLY 75 N 1.48 0.55 0.05 3.38 0.00 0.28 -4.87 105.19 106.07 2rgd n GLY 75 Ca 0.07 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.66 2rgd n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rgd n GLU 76 N 2.17 0.67 -3.81 1.61 1.02 0.42 -4.98 120.64 117.74 2rgd n GLU 76 Ca 0.14 -0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 2rgd n GLU 76 Cb 0.28 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.08 2rgd n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2rgd s GLY 77 N -4.96 -0.09 -0.01 0.62 0.00 -1.04 -4.11 107.32 97.73 2rgd s GLY 77 Ca -0.09 0.25 0.04 0.00 0.00 0.00 0.00 44.72 44.91 2rgd s GLY 77 CO 0.87 0.09 -0.12 -1.36 0.00 0.00 0.00 173.10 172.58 2rgd s PHE 78 N -1.02 1.14 -0.29 1.90 0.40 -0.35 -1.24 117.98 118.53 2rgd s PHE 78 Ca -0.11 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2rgd s PHE 78 Cb -0.05 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.69 2rgd s PHE 78 CO 0.02 -0.04 0.18 -0.51 0.70 0.00 0.00 175.22 175.57 2rgd s LEU 79 N -0.19 4.02 -0.46 -0.37 1.43 -0.10 -2.01 118.68 121.00 2rgd s LEU 79 Ca 0.03 -0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 2rgd s LEU 79 Cb -0.06 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.13 2rgd s LEU 79 CO -0.00 -0.08 0.40 0.00 0.23 0.00 0.00 176.35 176.89 2rgd s VAL 81 N 1.71 4.89 0.25 0.00 1.01 -0.06 -0.66 120.40 127.53 2rgd s VAL 81 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2rgd s VAL 81 Cb -0.23 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2rgd s VAL 81 CO 0.07 0.55 0.07 0.72 0.00 0.00 0.00 175.10 176.52 2rgd s PHE 82 N -0.44 1.51 -0.12 5.22 -0.71 -0.53 -3.97 117.98 118.94 2rgd s PHE 82 Ca 0.10 -1.12 -0.02 0.00 -1.04 0.00 0.00 56.93 54.86 2rgd s PHE 82 Cb -0.12 -0.89 -0.03 0.00 -1.21 0.00 0.00 43.02 40.77 2rgd s PHE 82 CO 0.02 -0.27 -0.06 0.00 -1.34 0.00 0.00 175.22 173.57 2rgd s ALA 83 N -3.68 2.93 -0.99 1.99 0.00 -1.26 -0.91 121.76 119.84 2rgd s ALA 83 Ca 0.35 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2rgd s ALA 83 Cb 0.07 -1.39 0.20 0.00 0.00 0.00 0.00 23.12 22.01 2rgd s ALA 83 CO 0.12 0.34 1.15 0.44 0.00 0.00 0.00 175.76 177.81 2rgd n ILE 84 N 3.09 1.69 -1.09 0.00 -6.64 -0.73 -0.89 119.36 114.78 2rgd n ILE 84 Ca -0.18 0.43 0.06 0.00 -1.77 0.00 0.00 62.75 61.29 2rgd n ILE 84 Cb 0.53 -1.35 0.24 0.00 -1.44 0.00 0.00 39.64 37.62 2rgd n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 2rgd n ASN 85 N -1.51 3.55 -3.41 7.28 6.94 -1.26 -1.10 115.26 125.74 2rgd n ASN 85 Ca 0.01 -3.18 -0.26 0.00 -0.02 0.00 0.00 54.58 51.13 2rgd n ASN 85 Cb 0.05 -0.56 -0.10 0.00 -2.36 0.00 0.00 39.78 36.80 2rgd n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2rgd s ASN 86 N -2.08 2.16 0.26 0.53 3.04 -0.07 -4.84 114.94 113.94 2rgd s ASN 86 Ca 0.43 -2.33 -0.01 0.00 0.04 0.00 0.00 52.86 50.99 2rgd s ASN 86 Cb 0.35 -0.20 0.51 0.00 -1.54 0.00 0.00 41.25 40.37 2rgd s ASN 86 CO 0.07 -0.26 1.78 0.74 -3.04 0.00 0.00 177.10 176.40 2rgd h THR 87 N 4.91 0.80 -0.78 -5.21 2.02 -1.87 -1.46 112.91 111.32 2rgd h THR 87 Ca 0.12 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2rgd h THR 87 Cb 0.97 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2rgd h THR 87 CO 0.27 0.13 0.46 0.50 0.37 0.00 0.00 175.52 177.25 2rgd h LYS 88 N 0.72 1.07 -0.23 6.66 3.64 -1.95 -0.82 116.57 125.66 2rgd h LYS 88 Ca 0.46 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2rgd h LYS 88 Cb 0.57 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2rgd h LYS 88 CO -0.32 0.76 -0.04 0.66 -2.27 0.00 0.00 179.45 178.24 2rgd h SER 89 N 1.08 0.33 -0.11 4.20 4.64 -1.61 -0.98 113.55 121.11 2rgd h SER 89 Ca 0.28 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.45 2rgd h SER 89 Cb -0.02 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2rgd h SER 89 CO -0.05 0.42 -0.30 0.15 -0.87 0.00 0.00 176.83 176.18 2rgd h PHE 90 N 0.34 0.51 0.00 4.77 3.57 -1.16 -3.13 116.94 121.85 2rgd h PHE 90 Ca 0.08 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2rgd h PHE 90 Cb 0.29 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2rgd h PHE 90 CO 0.01 0.91 -0.12 0.93 -2.23 0.00 0.00 178.31 177.81 2rgd h GLU 91 N -0.04 0.00 -0.18 1.11 5.08 -0.79 -2.49 114.58 117.27 2rgd h GLU 91 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2rgd h GLU 91 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2rgd h GLU 91 CO 0.06 0.12 0.00 -0.25 -1.00 0.00 0.00 179.01 177.94 2rgd n ASP 92 N -3.91 1.83 -0.26 1.42 8.00 -0.41 -4.19 116.55 119.04 2rgd n ASP 92 Ca -0.02 -1.73 0.08 0.00 0.71 0.00 0.00 54.79 53.83 2rgd n ASP 92 Cb 0.21 -0.11 0.33 0.00 -0.02 0.00 0.00 41.12 41.52 2rgd n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2rgd h ILE 93 N 2.44 0.95 -0.43 0.53 1.08 -1.40 -0.96 117.51 119.73 2rgd h ILE 93 Ca 0.00 -0.28 0.12 0.00 -0.39 0.00 0.00 64.86 64.31 2rgd h ILE 93 Cb 0.53 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 2rgd h ILE 93 CO 0.00 0.15 0.31 1.12 -0.69 0.00 0.00 178.15 179.03 2rgd h HIS 94 N 0.81 0.00 -0.56 1.37 2.07 -1.82 -0.67 115.15 116.36 2rgd h HIS 94 Ca 0.40 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.83 2rgd h HIS 94 Cb 0.44 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.40 2rgd h HIS 94 CO -0.00 0.00 0.00 1.96 -3.07 0.00 0.00 177.93 176.82 2rgd h GLN 95 N 0.00 0.97 -0.02 5.12 4.20 -1.48 -1.13 115.11 122.78 2rgd h GLN 95 Ca 0.20 -0.29 -0.21 0.00 0.06 0.00 0.00 58.65 58.41 2rgd h GLN 95 Cb 0.81 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2rgd h GLN 95 CO -0.00 0.95 -0.88 1.88 -0.67 0.00 0.00 178.83 180.11 2rgd h TYR 96 N 0.89 0.53 -0.56 2.96 -1.99 -1.23 -1.87 116.97 115.71 2rgd h TYR 96 Ca 0.16 -0.28 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 2rgd h TYR 96 Cb 0.52 -0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.15 2rgd h TYR 96 CO 0.03 1.08 0.35 -0.09 -0.00 0.00 0.00 178.16 179.53 2rgd h ARG 97 N 0.22 0.76 -0.56 4.88 9.65 -1.14 -0.42 114.38 127.77 2rgd h ARG 97 Ca -0.06 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.70 2rgd h ARG 97 Cb 1.50 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.90 2rgd h ARG 97 CO 0.15 0.54 0.12 0.93 2.80 0.00 0.00 179.97 184.50 2rgd h GLU 98 N 0.76 0.91 -0.63 0.20 5.08 -1.14 -1.58 114.58 118.17 2rgd h GLU 98 Ca 0.20 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2rgd h GLU 98 Cb -0.03 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2rgd h GLU 98 CO -0.04 0.86 0.19 0.37 -1.00 0.00 0.00 179.01 179.39 2rgd h GLN 99 N 0.80 0.99 -0.56 2.33 4.15 -0.96 -1.89 115.11 119.97 2rgd h GLN 99 Ca 0.17 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2rgd h GLN 99 Cb 0.37 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 2rgd h GLN 99 CO 0.01 0.88 0.24 0.82 -1.93 0.00 0.00 178.83 178.84 2rgd h ILE 100 N 0.92 1.22 -0.93 2.39 2.04 -0.92 -0.33 117.51 121.90 2rgd h ILE 100 Ca 0.20 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.46 2rgd h ILE 100 Cb 0.30 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2rgd h ILE 100 CO -0.00 0.26 0.59 0.50 0.00 0.00 0.00 178.15 179.49 2rgd h LYS 101 N 0.77 1.04 -0.10 2.37 3.64 -0.98 -0.28 116.57 123.03 2rgd h LYS 101 Ca 0.19 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2rgd h LYS 101 Cb 0.18 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2rgd h LYS 101 CO -0.02 0.69 -0.12 0.00 -2.27 0.00 0.00 179.45 177.73 2rgd h ARG 102 N 1.07 0.26 -0.24 1.90 3.08 -0.85 0.56 114.38 120.16 2rgd h ARG 102 Ca 0.40 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 2rgd h ARG 102 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2rgd h ARG 102 CO -0.17 0.70 -0.17 -0.39 -1.07 0.00 0.00 179.97 178.87 2rgd h VAL 103 N -0.17 1.23 0.00 2.04 -1.51 -0.84 -3.06 116.25 113.94 2rgd h VAL 103 Ca 0.01 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 2rgd h VAL 103 Cb 0.66 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2rgd h VAL 103 CO 0.03 0.34 -1.09 0.29 -1.23 0.00 0.00 177.57 175.90 2rgd n LYS 104 N -4.19 0.12 -3.88 5.19 4.76 -0.14 -4.78 118.16 115.24 2rgd n LYS 104 Ca 0.00 -0.03 -0.25 0.00 -2.87 0.00 0.00 58.31 55.16 2rgd n LYS 104 Cb 0.34 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2rgd n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2rgd n ASP 105 N -1.66 -1.34 -3.60 4.39 4.64 0.19 -4.96 116.55 114.21 2rgd n ASP 105 Ca 0.03 -0.92 -0.16 0.00 -1.38 0.00 0.00 54.79 52.36 2rgd n ASP 105 Cb 0.38 -3.48 -0.07 0.00 -1.04 0.00 0.00 41.12 36.91 2rgd n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 2rgd s SER 106 N -4.17 -0.48 0.00 1.67 0.15 -1.06 -5.03 113.70 104.79 2rgd s SER 106 Ca 0.14 0.42 0.22 0.00 0.70 0.00 0.00 55.95 57.43 2rgd s SER 106 Cb -0.07 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2rgd s SER 106 CO 0.86 -0.58 1.06 0.47 1.20 0.00 0.00 173.24 176.25 2rgd n ASP 107 N 0.92 1.88 -3.58 5.45 10.43 -1.26 -4.48 116.55 125.91 2rgd n ASP 107 Ca -0.20 -1.44 -0.27 0.00 2.57 0.00 0.00 54.79 55.45 2rgd n ASP 107 Cb 0.57 0.55 -0.09 0.00 1.84 0.00 0.00 41.12 43.99 2rgd n ASP 107 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2rgd n ASP 108 N -0.24 3.49 -4.46 -2.24 4.64 -1.26 -5.06 116.55 111.42 2rgd n ASP 108 Ca 0.08 -3.36 -0.33 0.00 -1.38 0.00 0.00 54.79 49.80 2rgd n ASP 108 Cb 0.45 -0.70 -0.13 0.00 -1.04 0.00 0.00 41.12 39.70 2rgd n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2rgd s VAL 109 N -2.13 3.52 0.12 5.18 1.01 -1.26 -5.07 120.40 121.76 2rgd s VAL 109 Ca 0.35 -0.50 -0.34 0.00 0.00 0.00 0.00 61.98 61.49 2rgd s VAL 109 Cb 0.08 -2.50 -0.13 0.00 0.00 0.00 0.00 36.38 33.83 2rgd s VAL 109 CO -0.07 0.52 1.65 -2.65 0.00 0.00 0.00 175.10 174.55 2rgd n PRO 110 N 3.30 2.20 -3.74 2.72 -0.02 -1.26 -4.92 135.00 133.29 2rgd n PRO 110 Ca -0.18 0.80 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2rgd n PRO 110 Cb 0.53 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 2rgd n PRO 110 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2rgd s MET 111 N 1.56 1.10 -0.08 -0.52 -1.94 -1.26 -1.21 119.30 116.95 2rgd s MET 111 Ca 0.81 -0.85 -0.04 0.00 -1.71 0.00 0.00 55.69 53.90 2rgd s MET 111 Cb -0.67 0.44 0.04 0.00 2.01 0.00 0.00 34.83 36.65 2rgd s MET 111 CO 0.40 -0.42 0.18 0.08 -0.01 0.00 0.00 175.02 175.25 2rgd s VAL 112 N -3.85 -0.04 -0.16 -6.03 1.01 -0.85 -4.38 120.40 106.09 2rgd s VAL 112 Ca 0.07 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 2rgd s VAL 112 Cb 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 2rgd s VAL 112 CO -0.08 0.06 0.66 -0.22 0.00 0.00 0.00 175.10 175.52 2rgd s LEU 113 N 1.11 4.20 -0.17 3.92 2.96 -0.44 -1.24 118.68 129.01 2rgd s LEU 113 Ca -0.08 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 2rgd s LEU 113 Cb -0.10 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.63 2rgd s LEU 113 CO -0.06 -0.23 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.88 2rgd s VAL 114 N 1.60 2.45 -0.59 1.68 1.01 0.16 -1.02 120.40 125.69 2rgd s VAL 114 Ca 0.32 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 2rgd s VAL 114 Cb -0.16 -2.03 0.15 0.00 0.00 0.00 0.00 36.38 34.33 2rgd s VAL 114 CO 0.12 0.52 0.53 -0.83 0.00 0.00 0.00 175.10 175.44 2rgd s GLY 115 N 1.02 2.20 0.63 4.51 0.00 -0.56 -1.45 107.32 113.67 2rgd s GLY 115 Ca -0.02 -2.70 -0.04 0.00 0.00 0.00 0.00 44.72 41.96 2rgd s GLY 115 CO -0.04 1.20 0.91 0.21 0.00 0.00 0.00 173.10 175.38 2rgd s ASN 116 N 3.14 5.14 -1.02 1.64 2.47 -0.09 -0.81 114.94 125.41 2rgd s ASN 116 Ca 0.06 0.38 -0.01 0.00 0.42 0.00 0.00 52.86 53.71 2rgd s ASN 116 Cb -0.26 -1.19 0.00 0.00 -1.45 0.00 0.00 41.25 38.36 2rgd s ASN 116 CO 0.00 -1.33 0.16 0.29 -3.72 0.00 0.00 177.10 172.50 2rgd n LYS 117 N -2.67 -1.88 0.00 0.43 5.02 -0.66 -1.77 118.16 116.64 2rgd n LYS 117 Ca 0.07 0.58 0.05 0.00 -2.02 0.00 0.00 58.31 57.00 2rgd n LYS 117 Cb 0.60 -4.75 0.30 0.00 -0.02 0.00 0.00 35.03 31.16 2rgd n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rgd h ASP 119 N 0.00 0.00 -3.95 0.00 2.03 -1.90 -3.46 116.42 109.13 2rgd h ASP 119 Ca 0.00 -0.12 -0.46 0.00 -0.73 0.00 0.00 57.03 55.72 2rgd h ASP 119 Cb 0.04 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.52 2rgd h ASP 119 CO 0.00 0.06 0.30 -0.76 -1.03 0.00 0.00 179.24 177.81 2rgd s LEU 120 N -4.48 4.06 0.11 0.15 1.43 -0.36 -5.00 118.68 114.59 2rgd s LEU 120 Ca 0.07 1.65 0.23 0.00 -1.03 0.00 0.00 54.13 55.05 2rgd s LEU 120 Cb 0.12 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 42.07 2rgd s LEU 120 CO 0.68 -0.26 1.04 0.00 0.23 0.00 0.00 176.35 178.04 2rgd n ALA 121 N -0.30 2.92 -1.32 4.21 0.00 -1.26 -4.48 120.51 120.27 2rgd n ALA 121 Ca 0.05 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 2rgd n ALA 121 Cb 0.53 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 2rgd n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rgd n ALA 122 N -2.00 6.98 -2.24 0.00 0.00 -1.26 -4.94 120.51 117.05 2rgd n ALA 122 Ca 0.01 -3.01 -0.42 0.00 0.00 0.00 0.00 53.44 50.02 2rgd n ALA 122 Cb 0.49 -2.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.08 2rgd n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2rgd s ARG 123 N 0.94 4.44 0.00 0.00 3.52 -1.26 -4.34 118.95 122.25 2rgd s ARG 123 Ca 0.66 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 58.11 2rgd s ARG 123 Cb 0.25 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 2rgd s ARG 123 CO -0.06 -0.21 0.07 0.25 -0.81 0.00 0.00 175.30 174.54 2rgd n THR 124 N 3.36 0.00 -3.89 4.11 -2.24 -0.26 -4.94 114.28 110.42 2rgd n THR 124 Ca 0.07 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 2rgd n THR 124 Cb 0.45 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 2rgd n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2rgd s VAL 125 N -0.56 2.97 0.42 2.28 1.01 -0.90 -4.90 120.40 120.71 2rgd s VAL 125 Ca 0.00 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 60.10 2rgd s VAL 125 Cb 0.00 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 2rgd s VAL 125 CO 0.00 -0.29 1.05 -1.61 0.00 0.00 0.00 175.10 174.25 2rgd s GLU 126 N 1.19 4.09 0.22 2.72 0.41 -1.26 -4.89 118.70 121.18 2rgd s GLU 126 Ca -0.01 1.49 -0.10 0.00 -0.41 0.00 0.00 54.97 55.94 2rgd s GLU 126 Cb -0.20 -2.46 0.32 0.00 -1.78 0.00 0.00 34.13 30.01 2rgd s GLU 126 CO -0.03 -0.20 1.66 1.03 -0.49 0.00 0.00 175.26 177.23 2rgd h SER 127 N 2.32 -0.29 -0.92 -0.19 0.87 -2.00 -0.81 113.55 112.53 2rgd h SER 127 Ca -0.49 0.16 0.13 0.00 -1.23 0.00 0.00 61.79 60.36 2rgd h SER 127 Cb 1.22 0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 63.37 2rgd h SER 127 CO 0.62 -0.12 0.54 -0.09 -0.53 0.00 0.00 176.83 177.24 2rgd h ARG 128 N 0.12 0.81 -0.78 2.24 9.65 -1.99 0.16 114.38 124.59 2rgd h ARG 128 Ca 0.34 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 59.13 2rgd h ARG 128 Cb 0.56 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.92 2rgd h ARG 128 CO -0.55 0.53 0.33 1.96 2.80 0.00 0.00 179.97 185.04 2rgd h GLN 129 N 0.83 1.16 -0.09 0.20 4.20 -1.53 -1.61 115.11 118.27 2rgd h GLN 129 Ca 0.47 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.80 2rgd h GLN 129 Cb 0.53 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2rgd h GLN 129 CO -0.29 0.93 -0.71 0.00 -0.67 0.00 0.00 178.83 178.08 2rgd h ALA 130 N 1.17 0.60 -0.79 3.87 0.00 -0.97 -2.85 119.26 120.30 2rgd h ALA 130 Ca 0.26 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2rgd h ALA 130 Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2rgd h ALA 130 CO -0.03 0.75 0.40 1.96 0.00 0.00 0.00 179.25 182.34 2rgd h GLN 131 N 0.30 1.11 -0.64 0.00 4.20 -0.40 -0.87 115.11 118.81 2rgd h GLN 131 Ca -0.03 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 2rgd h GLN 131 Cb 1.28 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 2rgd h GLN 131 CO 0.12 0.83 0.07 -0.44 -0.67 0.00 0.00 178.83 178.74 2rgd h ASP 132 N 1.11 1.05 0.08 1.46 3.32 -1.20 -0.03 116.42 122.21 2rgd h ASP 132 Ca 0.27 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2rgd h ASP 132 Cb 0.07 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2rgd h ASP 132 CO -0.04 1.06 -0.04 0.25 -1.72 0.00 0.00 179.24 178.76 2rgd h LEU 133 N 1.00 -0.09 -0.46 1.55 5.85 -1.21 -2.12 115.31 119.83 2rgd h LEU 133 Ca 0.19 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2rgd h LEU 133 Cb 0.49 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2rgd h LEU 133 CO 0.02 0.14 0.20 0.00 -0.34 0.00 0.00 178.44 178.46 2rgd h ALA 134 N 0.57 0.57 -0.92 1.25 0.00 -1.08 -1.29 119.26 118.37 2rgd h ALA 134 Ca -0.01 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2rgd h ALA 134 Cb 0.28 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2rgd h ALA 134 CO 0.02 -0.18 0.59 -0.09 0.00 0.00 0.00 179.25 179.59 2rgd h ARG 135 N 0.39 0.87 0.00 0.00 2.43 -0.91 0.22 114.38 117.39 2rgd h ARG 135 Ca 0.21 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2rgd h ARG 135 Cb 0.17 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2rgd h ARG 135 CO -0.18 0.58 -0.19 0.66 -1.51 0.00 0.00 179.97 179.32 2rgd h SER 136 N 0.90 0.00 0.48 -3.80 4.64 -0.54 -1.91 113.55 113.31 2rgd h SER 136 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2rgd h SER 136 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2rgd h SER 136 CO -0.19 0.19 -0.95 -1.22 -0.87 0.00 0.00 176.83 173.79 2rgd n TYR 137 N -3.56 0.28 -2.37 4.77 4.01 -0.00 -4.96 117.16 115.32 2rgd n TYR 137 Ca -0.01 0.08 -0.04 0.00 -0.16 0.00 0.00 57.90 57.77 2rgd n TYR 137 Cb 0.34 -0.44 0.01 0.00 -0.31 0.00 0.00 39.34 38.93 2rgd n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rgd n GLY 138 N 1.37 0.43 3.32 2.72 0.00 0.58 -5.05 105.19 108.57 2rgd n GLY 138 Ca 0.02 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 2rgd n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rgd s ILE 139 N -2.60 1.23 0.49 -0.61 -4.36 -0.64 -5.01 121.20 109.70 2rgd s ILE 139 Ca 0.05 -2.07 -0.20 0.00 -0.26 0.00 0.00 60.65 58.17 2rgd s ILE 139 Cb -0.02 -2.18 -0.08 0.00 1.25 0.00 0.00 42.46 41.42 2rgd s ILE 139 CO 0.06 -0.47 1.05 -2.84 0.24 0.00 0.00 174.94 172.98 2rgd s PRO 140 N -3.79 3.77 -0.15 0.37 0.02 -1.26 -4.09 135.00 129.87 2rgd s PRO 140 Ca 0.25 1.39 -0.00 0.00 0.02 0.00 0.00 61.00 62.65 2rgd s PRO 140 Cb 0.04 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 2rgd s PRO 140 CO 0.07 -0.46 -0.13 -0.47 -0.33 0.00 0.00 177.00 175.68 2rgd s TYR 141 N -1.95 2.82 -0.03 6.54 5.04 -1.26 -1.33 117.35 127.17 2rgd s TYR 141 Ca 0.68 -0.85 0.01 0.00 -2.44 0.00 0.00 57.07 54.47 2rgd s TYR 141 Cb -0.17 -1.90 0.01 0.00 0.35 0.00 0.00 41.96 40.26 2rgd s TYR 141 CO 0.21 -0.36 -0.05 0.42 -1.34 0.00 0.00 175.55 174.42 2rgd s ILE 142 N 0.68 0.53 0.05 3.14 1.01 -0.19 -4.99 121.20 121.44 2rgd s ILE 142 Ca -0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 2rgd s ILE 142 Cb -0.15 -0.52 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 2rgd s ILE 142 CO 0.02 0.20 0.39 -1.61 0.00 0.00 0.00 174.94 173.94 2rgd s GLU 143 N 0.57 3.77 0.25 2.79 2.02 -1.26 -1.49 118.70 125.34 2rgd s GLU 143 Ca -0.07 0.19 0.01 0.00 0.02 0.00 0.00 54.97 55.12 2rgd s GLU 143 Cb -0.11 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2rgd s GLU 143 CO 0.00 0.60 0.14 0.95 0.02 0.00 0.00 175.26 176.97 2rgd s THR 144 N -1.32 0.23 -0.23 3.63 -4.23 0.01 -4.39 115.64 109.33 2rgd s THR 144 Ca 0.30 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 2rgd s THR 144 Cb -0.14 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.28 2rgd s THR 144 CO 0.17 0.00 0.32 -0.55 -0.54 0.00 0.00 174.62 174.02 2rgd s SER 145 N -3.27 0.69 0.56 3.99 0.15 -0.51 -1.02 113.70 114.29 2rgd s SER 145 Ca 0.38 0.02 0.34 0.00 0.70 0.00 0.00 55.95 57.39 2rgd s SER 145 Cb 0.06 0.84 1.59 0.00 -1.71 0.00 0.00 66.02 66.80 2rgd s SER 145 CO 0.15 -0.31 2.08 0.00 1.20 0.00 0.00 173.24 176.35 2rgd h ALA 146 N 8.23 1.05 0.00 5.45 0.00 -1.89 0.23 119.26 132.33 2rgd h ALA 146 Ca -0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2rgd h ALA 146 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2rgd h ALA 146 CO 0.28 0.05 -0.18 -0.22 0.00 0.00 0.00 179.25 179.18 2rgd h LYS 147 N 0.00 0.12 0.00 0.00 3.64 -1.94 -3.36 116.57 115.02 2rgd h LYS 147 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2rgd h LYS 147 Cb 0.39 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2rgd h LYS 147 CO 0.01 0.89 -0.95 0.25 -2.27 0.00 0.00 179.45 177.38 2rgd n THR 148 N -4.56 0.06 -0.63 1.00 -2.24 -1.18 -4.86 114.28 101.87 2rgd n THR 148 Ca -0.10 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2rgd n THR 148 Cb 0.47 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2rgd n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2rgd n ARG 149 N -1.71 0.00 -1.68 -0.78 0.63 0.79 -5.00 116.66 108.91 2rgd n ARG 149 Ca 0.03 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.51 2rgd n ARG 149 Cb 0.38 -1.88 -0.04 0.00 0.45 0.00 0.00 32.46 31.38 2rgd n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2rgd n GLN 150 N -2.00 2.36 -0.48 -0.14 7.27 -1.18 -2.08 117.38 121.13 2rgd n GLN 150 Ca 0.00 0.85 0.00 0.00 0.07 0.00 0.00 57.00 57.92 2rgd n GLN 150 Cb 0.00 -2.65 0.00 0.00 2.41 0.00 0.00 30.24 30.00 2rgd n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2rgd n GLY 151 N 3.64 0.44 0.36 1.69 0.00 -1.26 -1.43 105.19 108.64 2rgd n GLY 151 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 2rgd n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2rgd h VAL 152 N 0.00 0.34 -0.55 1.61 2.07 -1.71 -0.07 116.25 117.93 2rgd h VAL 152 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2rgd h VAL 152 Cb 0.00 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2rgd h VAL 152 CO 0.00 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.35 2rgd h GLU 153 N -0.86 0.88 -0.78 1.57 5.08 -1.90 -2.67 114.58 115.90 2rgd h GLU 153 Ca -0.08 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2rgd h GLU 153 Cb 0.67 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2rgd h GLU 153 CO 0.12 0.82 0.49 0.22 -1.00 0.00 0.00 179.01 179.66 2rgd h ASP 154 N 0.84 0.79 0.10 1.42 1.82 -1.90 0.16 116.42 119.65 2rgd h ASP 154 Ca 0.17 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 2rgd h ASP 154 Cb 0.37 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.22 2rgd h ASP 154 CO 0.01 0.53 -0.05 0.00 -1.61 0.00 0.00 179.24 178.11 2rgd h ALA 155 N 1.35 -0.14 -0.49 -0.78 0.00 -0.67 0.14 119.26 118.68 2rgd h ALA 155 Ca 0.33 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2rgd h ALA 155 Cb 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2rgd h ALA 155 CO -0.14 -0.49 -0.21 0.74 0.00 0.00 0.00 179.25 179.16 2rgd h PHE 156 N -0.32 1.14 -0.34 0.00 0.04 -1.34 -2.42 116.94 113.71 2rgd h PHE 156 Ca -0.01 -0.27 -0.16 0.00 2.80 0.00 0.00 57.97 60.32 2rgd h PHE 156 Cb 0.27 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2rgd h PHE 156 CO -0.01 1.10 -0.44 1.88 -0.60 0.00 0.00 178.31 180.24 2rgd h TYR 157 N 0.86 1.05 -0.65 -0.55 -1.99 -0.69 -2.45 116.97 112.54 2rgd h TYR 157 Ca 0.11 -0.33 -0.02 0.00 2.00 0.00 0.00 58.73 60.50 2rgd h TYR 157 Cb 0.79 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.27 2rgd h TYR 157 CO 0.05 1.14 0.34 1.15 -0.00 0.00 0.00 178.16 180.84 2rgd h THR 158 N 0.69 1.20 -0.81 -2.88 2.02 -0.93 -0.58 112.91 111.62 2rgd h THR 158 Ca 0.05 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 2rgd h THR 158 Cb 1.02 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 2rgd h THR 158 CO 0.10 0.23 0.33 0.25 0.37 0.00 0.00 175.52 176.80 2rgd h LEU 159 N 0.91 1.11 -0.42 2.58 5.85 -1.16 0.42 115.31 124.59 2rgd h LEU 159 Ca 0.23 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2rgd h LEU 159 Cb 0.05 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2rgd h LEU 159 CO -0.03 0.98 0.20 0.58 -0.34 0.00 0.00 178.44 179.82 2rgd h VAL 160 N 1.17 1.18 0.00 1.05 2.07 -0.85 -1.24 116.25 119.64 2rgd h VAL 160 Ca 0.27 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2rgd h VAL 160 Cb 0.21 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2rgd h VAL 160 CO -0.02 0.19 -0.13 0.03 0.02 0.00 0.00 177.57 177.67 2rgd h ARG 161 N 0.54 0.00 0.03 1.57 3.08 -0.53 -1.20 114.38 117.86 2rgd h ARG 161 Ca 0.14 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.95 2rgd h ARG 161 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 2rgd h ARG 161 CO -0.02 0.13 -1.02 0.93 -1.07 0.00 0.00 179.97 178.92 2rgd h GLU 162 N 0.00 0.48 -0.54 0.04 4.39 -0.33 -2.70 114.58 115.92 2rgd h GLU 162 Ca -0.00 -0.55 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 2rgd h GLU 162 Cb 0.31 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2rgd h GLU 162 CO 0.02 1.19 0.10 0.82 -1.16 0.00 0.00 179.01 179.98 2rgd h ILE 163 N 0.25 1.23 0.00 3.13 2.04 -0.41 -2.31 117.51 121.44 2rgd h ILE 163 Ca -0.11 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 2rgd h ILE 163 Cb 1.67 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2rgd h ILE 163 CO 0.18 0.32 -0.32 0.03 0.00 0.00 0.00 178.15 178.36 2rgd h ARG 164 N 0.80 0.00 0.00 2.37 3.08 -1.16 -1.33 114.38 118.13 2rgd h ARG 164 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2rgd h ARG 164 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2rgd h ARG 164 CO 0.00 0.32 -0.02 1.04 -1.07 0.00 0.00 179.97 180.25 2rgd n GLN 165 N -4.02 0.13 0.00 0.04 6.02 -0.91 -5.10 117.38 113.55 2rgd n GLN 165 Ca -0.02 0.11 0.14 0.00 -0.01 0.00 0.00 57.00 57.22 2rgd n GLN 165 Cb 0.38 -1.65 0.86 0.00 1.02 0.00 0.00 30.24 30.84 2rgd n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63