#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jra s ASP 9 N 0.00 4.08 -0.15 4.04 2.15 -1.26 -5.02 116.67 120.51 3jra s ASP 9 Ca 0.00 -1.00 0.08 0.00 0.43 0.00 0.00 52.55 52.06 3jra s ASP 9 Cb 0.00 -1.58 -0.23 0.00 -0.30 0.00 0.00 42.92 40.81 3jra s ASP 9 CO 0.00 -0.12 0.25 1.33 -0.17 0.00 0.00 175.17 176.46 3jra n VAL 10 N 4.58 1.56 -3.24 1.11 0.24 -1.26 -4.72 118.33 116.60 3jra n VAL 10 Ca -0.17 -0.74 -0.44 0.00 -2.04 0.00 0.00 64.34 60.95 3jra n VAL 10 Cb 0.46 -1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 31.66 3jra n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3jra s LEU 11 N -6.22 5.44 0.10 1.34 1.43 -1.26 -5.03 118.68 114.48 3jra s LEU 11 Ca -0.16 -1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 51.57 3jra s LEU 11 Cb 0.07 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 3jra s LEU 11 CO 0.77 -0.86 0.20 0.42 0.23 0.00 0.00 176.35 177.11 3jra s THR 12 N 2.18 0.13 0.01 5.49 -4.23 -1.26 -0.94 115.64 117.03 3jra s THR 12 Ca 0.09 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 3jra s THR 12 Cb -0.23 -1.40 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 3jra s THR 12 CO 0.08 -0.61 -0.09 0.68 -0.54 0.00 0.00 174.62 174.14 3jra s VAL 13 N -3.87 0.69 0.39 2.29 -7.23 0.49 -4.85 120.40 108.30 3jra s VAL 13 Ca 0.06 -0.57 -0.25 0.00 -1.81 0.00 0.00 61.98 59.41 3jra s VAL 13 Cb 0.05 -0.62 -0.09 0.00 0.56 0.00 0.00 36.38 36.28 3jra s VAL 13 CO -0.10 0.06 1.10 -0.44 -0.31 0.00 0.00 175.10 175.41 3jra s SER 14 N -0.57 6.71 0.01 4.85 0.01 -1.26 -0.94 113.70 122.51 3jra s SER 14 Ca 0.01 2.19 0.01 0.00 1.31 0.00 0.00 55.95 59.47 3jra s SER 14 Cb -0.05 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 3jra s SER 14 CO 0.00 -0.53 -0.03 0.42 0.41 0.00 0.00 173.24 173.51 3jra s THR 15 N -1.49 0.21 -0.05 1.44 -4.23 0.28 -4.92 115.64 106.87 3jra s THR 15 Ca 0.56 -0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.70 3jra s THR 15 Cb -0.27 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 3jra s THR 15 CO 0.34 -0.10 0.06 -0.69 -0.54 0.00 0.00 174.62 173.69 3jra s VAL 16 N -0.45 4.68 0.53 2.29 1.01 -1.26 -0.41 120.40 126.78 3jra s VAL 16 Ca -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3jra s VAL 16 Cb -0.04 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3jra s VAL 16 CO -0.00 0.48 0.29 0.54 0.00 0.00 0.00 175.10 176.41 3jra s ASN 17 N -1.32 4.50 0.30 3.32 2.20 -1.12 -4.96 114.94 117.86 3jra s ASN 17 Ca 0.18 -1.33 0.05 0.00 -0.94 0.00 0.00 52.86 50.82 3jra s ASN 17 Cb -0.12 0.39 0.79 0.00 -2.00 0.00 0.00 41.25 40.31 3jra s ASN 17 CO 0.08 -1.01 1.66 0.77 -2.94 0.00 0.00 177.10 175.66 3jra h SER 18 N 0.94 0.19 -0.34 3.54 4.64 -2.00 0.27 113.55 120.78 3jra h SER 18 Ca -0.39 0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 3jra h SER 18 Cb 1.30 0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.56 3jra h SER 18 CO 0.62 -0.11 0.09 0.00 -0.87 0.00 0.00 176.83 176.56 3jra n GLN 19 N -5.15 2.57 -3.86 4.77 6.02 -1.26 -4.90 117.38 115.56 3jra n GLN 19 Ca 0.24 -1.53 -0.27 0.00 -0.01 0.00 0.00 57.00 55.43 3jra n GLN 19 Cb 0.74 -1.80 0.02 0.00 1.02 0.00 0.00 30.24 30.22 3jra n GLN 19 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3jra n ASP 20 N 0.14 -3.21 -4.35 1.08 8.00 0.08 -4.98 116.55 113.32 3jra n ASP 20 Ca 0.18 -0.82 -0.37 0.00 0.71 0.00 0.00 54.79 54.49 3jra n ASP 20 Cb 0.82 -3.83 -0.13 0.00 -0.02 0.00 0.00 41.12 37.96 3jra n ASP 20 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jra s GLN 21 N -6.42 3.13 0.19 -1.24 -0.21 -1.26 -4.90 119.66 108.96 3jra s GLN 21 Ca 0.40 -0.83 -0.30 0.00 0.02 0.00 0.00 55.36 54.66 3jra s GLN 21 Cb -0.20 -3.35 -0.08 0.00 1.00 0.00 0.00 33.01 30.38 3jra s GLN 21 CO 0.83 -0.42 0.96 0.08 -2.12 0.00 0.00 175.29 174.62 3jra s VAL 22 N 1.50 4.21 -0.19 1.09 1.01 -1.26 -2.80 120.40 123.97 3jra s VAL 22 Ca 0.03 2.05 -0.21 0.00 0.00 0.00 0.00 61.98 63.85 3jra s VAL 22 Cb -0.17 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 31.96 3jra s VAL 22 CO 0.02 0.42 0.57 0.28 0.00 0.00 0.00 175.10 176.39 3jra s THR 23 N -0.70 0.00 0.20 3.92 -1.32 0.45 -4.90 115.64 113.29 3jra s THR 23 Ca 0.44 -0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.73 3jra s THR 23 Cb -0.25 -0.81 -0.08 0.00 -1.51 0.00 0.00 72.50 69.85 3jra s THR 23 CO 0.32 -0.02 0.62 -1.58 -2.21 0.00 0.00 174.62 171.75 3jra s GLN 24 N 0.04 4.04 -0.04 7.08 2.00 -1.26 -0.56 119.66 130.96 3jra s GLN 24 Ca -0.02 0.60 -0.03 0.00 -2.00 0.00 0.00 55.36 53.90 3jra s GLN 24 Cb -0.04 -2.81 0.01 0.00 0.80 0.00 0.00 33.01 30.97 3jra s GLN 24 CO 0.02 0.39 0.10 0.21 -0.50 0.00 0.00 175.29 175.51 3jra s LYS 25 N -2.21 0.11 0.37 1.67 2.20 -0.12 -4.92 119.74 116.84 3jra s LYS 25 Ca 0.43 0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 55.91 3jra s LYS 25 Cb -0.14 0.03 -0.10 0.00 -1.51 0.00 0.00 37.83 36.11 3jra s LYS 25 CO 0.20 -0.03 1.42 -2.14 -0.36 0.00 0.00 175.35 174.44 3jra s PRO 26 N 0.15 4.13 0.32 4.03 0.02 -1.26 -0.38 135.00 142.01 3jra s PRO 26 Ca -0.01 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.50 3jra s PRO 26 Cb -0.02 -2.95 0.67 0.00 0.02 0.00 0.00 34.50 32.22 3jra s PRO 26 CO -0.00 -0.47 1.88 1.25 -0.33 0.00 0.00 177.00 179.33 3jra h LEU 27 N 3.02 0.79 -1.19 -5.54 5.85 -1.37 -0.87 115.31 116.00 3jra h LEU 27 Ca -0.50 0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.44 3jra h LEU 27 Cb 1.24 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 3jra h LEU 27 CO 0.64 0.45 0.61 0.08 -0.34 0.00 0.00 178.44 179.88 3jra h ARG 28 N 0.86 0.64 -0.68 1.25 0.11 -1.89 0.12 114.38 114.79 3jra h ARG 28 Ca 0.43 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.47 3jra h ARG 28 Cb 0.48 -0.14 -0.03 0.00 1.11 0.00 0.00 29.97 31.38 3jra h ARG 28 CO -0.20 0.42 0.42 -0.44 0.10 0.00 0.00 179.97 180.28 3jra h ASP 29 N 0.66 0.79 -0.27 0.08 3.45 -1.51 -0.74 116.42 118.89 3jra h ASP 29 Ca 0.53 -0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.89 3jra h ASP 29 Cb 0.97 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 3jra h ASP 29 CO -0.30 0.60 -0.12 0.28 -1.57 0.00 0.00 179.24 178.13 3jra h SER 30 N 0.92 0.58 -0.66 6.45 0.02 -0.86 -2.63 113.55 117.37 3jra h SER 30 Ca 0.25 -0.40 0.06 0.00 -0.84 0.00 0.00 61.79 60.86 3jra h SER 30 Cb -0.06 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.26 3jra h SER 30 CO -0.05 0.85 0.36 0.58 -1.14 0.00 0.00 176.83 177.43 3jra h VAL 31 N 0.30 0.94 0.11 2.27 2.07 -0.61 0.37 116.25 121.70 3jra h VAL 31 Ca 0.06 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3jra h VAL 31 Cb 0.63 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3jra h VAL 31 CO 0.04 0.12 -0.38 0.11 0.02 0.00 0.00 177.57 177.47 3jra h LYS 32 N 0.65 -0.55 -0.46 1.57 1.57 -1.13 -2.57 116.57 115.66 3jra h LYS 32 Ca 0.30 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.21 3jra h LYS 32 Cb 0.21 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.55 3jra h LYS 32 CO -0.20 -0.36 -0.24 0.37 -0.57 0.00 0.00 179.45 178.45 3jra h GLN 33 N -0.57 -0.14 -0.89 3.15 4.15 -0.99 0.45 115.11 120.28 3jra h GLN 33 Ca -0.01 0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.65 3jra h GLN 33 Cb 0.56 0.03 -0.16 0.00 0.21 0.00 0.00 27.48 28.12 3jra h GLN 33 CO -0.19 -0.09 0.05 0.00 -1.93 0.00 0.00 178.83 176.66 3jra h ALA 34 N 1.12 1.04 0.16 3.38 0.00 -0.75 -0.11 119.26 124.09 3jra h ALA 34 Ca 0.21 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 3jra h ALA 34 Cb 0.48 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3jra h ALA 34 CO -0.55 -0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 178.06 3jra h LEU 35 N 0.08 -0.18 -0.87 0.00 3.38 -0.72 -2.43 115.31 114.57 3jra h LEU 35 Ca 0.52 -0.31 0.27 0.00 0.09 0.00 0.00 57.88 58.45 3jra h LEU 35 Cb 1.02 0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 3jra h LEU 35 CO -0.79 0.39 0.14 0.29 0.09 0.00 0.00 178.44 178.57 3jra n LYS 36 N -4.90 -0.06 0.09 1.13 5.02 -0.01 0.83 118.16 120.25 3jra n LYS 36 Ca -0.07 1.27 -0.13 0.00 -2.02 0.00 0.00 58.31 57.36 3jra n LYS 36 Cb 0.24 -2.08 -0.08 0.00 -0.02 0.00 0.00 35.03 33.08 3jra n LYS 36 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3jra h ASN 37 N 0.00 -0.19 -0.96 4.39 -1.24 -1.09 -2.71 115.58 113.78 3jra h ASN 37 Ca 0.58 -0.23 0.19 0.00 0.71 0.00 0.00 56.30 57.55 3jra h ASN 37 Cb 1.32 0.05 -0.11 0.00 0.73 0.00 0.00 38.32 40.31 3jra h ASN 37 CO -0.77 0.13 0.55 0.22 -1.29 0.00 0.00 177.43 176.27 3jra h TYR 38 N -0.52 0.96 -0.25 0.67 3.20 0.95 -0.84 116.97 121.14 3jra h TYR 38 Ca -0.02 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3jra h TYR 38 Cb 0.40 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3jra h TYR 38 CO 0.02 0.18 -0.02 0.74 -1.64 0.00 0.00 178.16 177.45 3jra h PHE 39 N 0.68 0.49 -0.17 -3.82 0.05 -0.75 -2.52 116.94 110.91 3jra h PHE 39 Ca 0.56 -0.09 0.05 0.00 3.82 0.00 0.00 57.97 62.30 3jra h PHE 39 Cb 0.89 -0.13 -0.07 0.00 2.00 0.00 0.00 35.95 38.64 3jra h PHE 39 CO -0.04 0.63 -0.38 0.00 -0.18 0.00 0.00 178.31 178.35 3jra h ALA 40 N 0.79 -0.47 -0.69 2.45 0.00 -0.87 -2.39 119.26 118.08 3jra h ALA 40 Ca 0.07 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3jra h ALA 40 Cb 0.45 0.72 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 3jra h ALA 40 CO 0.02 -0.86 -0.18 1.96 0.00 0.00 0.00 179.25 180.19 3jra h GLN 41 N -0.43 -0.00 -6.51 0.00 1.08 -1.11 -3.37 115.11 104.77 3jra h GLN 41 Ca 0.09 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.76 3jra h GLN 41 Cb 0.59 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.04 3jra h GLN 41 CO -0.40 -0.00 0.75 -0.51 -0.95 0.00 0.00 178.83 177.72 3jra s LEU 42 N -10.93 4.36 -0.00 1.46 1.43 -0.90 -4.97 118.68 109.14 3jra s LEU 42 Ca -0.14 2.29 -0.02 0.00 -1.03 0.00 0.00 54.13 55.22 3jra s LEU 42 Cb 0.20 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 3jra s LEU 42 CO 0.74 -0.67 0.55 0.78 0.23 0.00 0.00 176.35 177.98 3jra h ASN 43 N 7.06 -0.08 0.00 2.29 4.21 -1.78 -3.45 115.58 123.83 3jra h ASN 43 Ca -0.41 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 56.90 3jra h ASN 43 Cb 1.20 0.02 -0.15 0.00 -1.12 0.00 0.00 38.32 38.28 3jra h ASN 43 CO 0.87 -0.02 -0.30 0.61 -1.29 0.00 0.00 177.43 177.30 3jra n GLY 44 N 0.41 1.54 3.52 2.83 0.00 -1.26 -5.03 105.19 107.19 3jra n GLY 44 Ca -0.01 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3jra n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jra s GLN 45 N 0.17 3.30 0.15 1.61 -0.21 -1.26 -4.94 119.66 118.47 3jra s GLN 45 Ca 0.16 -0.35 -0.33 0.00 0.02 0.00 0.00 55.36 54.87 3jra s GLN 45 Cb 0.41 -3.98 -0.17 0.00 1.00 0.00 0.00 33.01 30.27 3jra s GLN 45 CO -0.10 -1.14 0.93 -0.40 -2.12 0.00 0.00 175.29 172.46 3jra n ASP 46 N 6.56 0.21 -4.89 5.90 5.75 -1.26 -4.93 116.55 123.89 3jra n ASP 46 Ca -0.01 1.15 -0.29 0.00 -0.01 0.00 0.00 54.79 55.63 3jra n ASP 46 Cb 0.48 -1.07 -0.01 0.00 -1.03 0.00 0.00 41.12 39.49 3jra n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3jra s VAL 47 N -0.45 4.82 0.00 2.12 1.01 -1.26 -5.05 120.40 121.59 3jra s VAL 47 Ca 0.74 0.49 0.00 0.00 0.00 0.00 0.00 61.98 63.21 3jra s VAL 47 Cb -0.97 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 31.58 3jra s VAL 47 CO 0.55 -0.84 0.00 0.59 0.00 0.00 0.00 175.10 175.41 3jra n ASN 48 N -2.12 0.00 -3.71 3.32 3.02 -1.26 -4.94 115.26 109.56 3jra n ASN 48 Ca 0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.30 3jra n ASN 48 Cb 0.55 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.61 3jra n ASN 48 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3jra n ASP 49 N -1.33 2.86 0.14 6.41 9.92 -1.26 -4.89 116.55 128.40 3jra n ASP 49 Ca 0.00 -3.19 -0.00 0.00 -0.53 0.00 0.00 54.79 51.06 3jra n ASP 49 Cb 0.00 -0.72 0.18 0.00 -0.64 0.00 0.00 41.12 39.94 3jra n ASP 49 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3jra h LEU 50 N 5.04 0.00 0.39 0.64 5.85 -1.99 -2.25 115.31 123.00 3jra h LEU 50 Ca 0.17 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3jra h LEU 50 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3jra h LEU 50 CO 0.71 0.60 -0.19 0.22 -0.34 0.00 0.00 178.44 179.44 3jra h TYR 51 N 0.00 -0.49 0.00 1.25 3.20 -1.99 -1.12 116.97 117.82 3jra h TYR 51 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3jra h TYR 51 Cb 1.09 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3jra h TYR 51 CO 0.00 -0.30 0.28 1.49 -1.64 0.00 0.00 178.16 177.99 3jra h GLU 52 N -0.84 0.00 0.00 1.82 4.57 -1.98 0.14 114.58 118.30 3jra h GLU 52 Ca -0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3jra h GLU 52 Cb 0.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3jra h GLU 52 CO 0.09 0.00 -0.11 1.25 -1.18 0.00 0.00 179.01 179.06 3jra h LEU 53 N 0.00 0.00 -0.98 1.64 5.85 -1.29 -3.16 115.31 117.37 3jra h LEU 53 Ca 0.00 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.60 3jra h LEU 53 Cb 0.56 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3jra h LEU 53 CO 0.00 0.63 0.64 0.58 -0.34 0.00 0.00 178.44 179.96 3jra h VAL 54 N -1.00 1.18 0.22 1.05 2.07 0.21 -1.67 116.25 118.32 3jra h VAL 54 Ca -0.01 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3jra h VAL 54 Cb 0.24 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 3jra h VAL 54 CO -0.01 0.23 -0.40 0.25 0.02 0.00 0.00 177.57 177.67 3jra h LEU 55 N 1.26 -1.14 -1.61 2.57 5.85 -0.96 -0.45 115.31 120.82 3jra h LEU 55 Ca 0.39 0.12 0.21 0.00 0.84 0.00 0.00 57.88 59.43 3jra h LEU 55 Cb -0.03 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 3jra h LEU 55 CO -0.12 -0.50 0.59 0.00 -0.34 0.00 0.00 178.44 178.07 3jra h ALA 56 N -0.23 2.31 0.00 1.25 0.00 -1.40 0.51 119.26 121.70 3jra h ALA 56 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3jra h ALA 56 Cb 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3jra h ALA 56 CO -0.17 -0.58 -0.16 1.49 0.00 0.00 0.00 179.25 179.82 3jra h GLU 57 N 0.32 0.00 0.00 0.00 4.57 -0.31 -3.23 114.58 115.93 3jra h GLU 57 Ca 0.45 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 58.21 3jra h GLU 57 Cb 1.23 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.75 3jra h GLU 57 CO -0.14 0.16 -2.42 0.28 -1.18 0.00 0.00 179.01 175.71 3jra n VAL 58 N -3.16 1.41 -0.27 0.32 0.31 0.31 -4.52 118.33 112.73 3jra n VAL 58 Ca 0.03 -0.41 0.06 0.00 -0.01 0.00 0.00 64.34 64.01 3jra n VAL 58 Cb 0.55 -1.71 0.19 0.00 -0.91 0.00 0.00 33.84 31.96 3jra n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3jra h GLU 59 N -0.67 0.47 0.34 5.55 5.08 -0.27 -2.67 114.58 122.40 3jra h GLU 59 Ca -0.62 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.69 3jra h GLU 59 Cb 1.65 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.79 3jra h GLU 59 CO -0.31 0.31 -0.16 1.96 -1.00 0.00 0.00 179.01 179.81 3jra h GLN 60 N 0.49 -0.43 -0.89 2.33 4.20 -1.76 0.16 115.11 119.21 3jra h GLN 60 Ca 0.42 0.03 0.19 0.00 0.06 0.00 0.00 58.65 59.35 3jra h GLN 60 Cb 0.63 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 28.40 3jra h GLN 60 CO -0.39 -0.22 0.44 -1.35 -0.67 0.00 0.00 178.83 176.63 3jra h PRO 61 N -0.55 0.52 0.02 1.46 0.11 -1.78 0.12 132.00 131.90 3jra h PRO 61 Ca -0.05 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3jra h PRO 61 Cb 0.41 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3jra h PRO 61 CO 0.08 0.34 -0.01 1.25 -0.21 0.00 0.00 178.00 179.45 3jra h LEU 62 N 0.53 -0.03 -0.31 2.35 5.85 -1.08 -1.61 115.31 121.01 3jra h LEU 62 Ca 0.52 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3jra h LEU 62 Cb 0.87 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3jra h LEU 62 CO -0.44 0.28 0.19 -0.07 -0.34 0.00 0.00 178.44 178.05 3jra h LEU 63 N -0.33 0.38 -0.35 2.25 3.38 -0.48 -1.96 115.31 118.20 3jra h LEU 63 Ca -0.00 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3jra h LEU 63 Cb 0.31 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 3jra h LEU 63 CO 0.00 0.32 -0.34 -0.78 0.09 0.00 0.00 178.44 177.74 3jra h ASP 64 N 0.40 -1.12 -0.39 -0.43 1.82 -0.91 -1.55 116.42 114.24 3jra h ASP 64 Ca 0.11 0.19 -0.06 0.00 -0.39 0.00 0.00 57.03 56.88 3jra h ASP 64 Cb 0.02 0.51 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 3jra h ASP 64 CO -0.02 -0.34 0.02 0.24 -1.61 0.00 0.00 179.24 177.53 3jra h MET 65 N -0.29 0.68 -0.01 0.28 2.86 -0.79 -1.96 114.93 115.70 3jra h MET 65 Ca 0.15 -0.21 -0.16 0.00 -2.06 0.00 0.00 59.70 57.42 3jra h MET 65 Cb 0.55 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 3jra h MET 65 CO -0.51 0.76 -0.76 -0.39 1.06 0.00 0.00 176.91 177.08 3jra h VAL 66 N 0.51 1.51 0.00 -2.22 -1.51 -1.32 0.57 116.25 113.79 3jra h VAL 66 Ca 0.11 -2.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 3jra h VAL 66 Cb 0.44 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 3jra h VAL 66 CO 0.02 0.72 0.00 0.23 -1.23 0.00 0.00 177.57 177.31 3jra n MET 67 N -3.67 0.84 -0.06 5.19 2.81 -0.59 -0.38 117.12 121.25 3jra n MET 67 Ca -0.01 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.74 3jra n MET 67 Cb 0.73 -1.20 -0.05 0.00 -0.71 0.00 0.00 33.22 32.00 3jra n MET 67 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3jra n GLN 68 N -0.70 0.27 -0.21 0.03 7.27 -0.63 -2.29 117.38 121.13 3jra n GLN 68 Ca 0.08 0.12 0.01 0.00 0.07 0.00 0.00 57.00 57.28 3jra n GLN 68 Cb 0.04 -0.95 0.26 0.00 2.41 0.00 0.00 30.24 31.99 3jra n GLN 68 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 3jra h TYR 69 N -0.46 0.92 -0.46 3.69 3.20 0.18 -0.30 116.97 123.75 3jra h TYR 69 Ca -0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3jra h TYR 69 Cb 1.27 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3jra h TYR 69 CO -0.04 0.58 0.00 0.25 -1.64 0.00 0.00 178.16 177.30 3jra n THR 70 N -4.43 1.67 -4.02 1.81 -2.24 0.49 -4.96 114.28 102.60 3jra n THR 70 Ca 0.08 -0.95 -0.34 0.00 -2.27 0.00 0.00 64.05 60.57 3jra n THR 70 Cb 0.04 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 3jra n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3jra n ARG 71 N 0.65 -0.59 -0.29 -0.78 0.63 -0.12 -0.23 116.66 115.92 3jra n ARG 71 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3jra n ARG 71 Cb 0.81 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.42 3jra n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jra n GLY 72 N -2.08 1.66 3.55 5.14 0.00 -0.97 -4.98 105.19 107.51 3jra n GLY 72 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 3jra n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jra s ASN 73 N -3.27 5.92 0.18 1.61 3.84 0.67 -4.84 114.94 119.05 3jra s ASN 73 Ca 0.00 -0.46 -0.10 0.00 0.21 0.00 0.00 52.86 52.51 3jra s ASN 73 Cb 0.00 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.22 3jra s ASN 73 CO 0.00 -1.99 1.68 1.56 -2.79 0.00 0.00 177.10 175.56 3jra h GLN 74 N 11.27 1.03 -0.86 0.43 4.20 -1.94 0.77 115.11 130.02 3jra h GLN 74 Ca -0.16 -0.27 0.05 0.00 0.06 0.00 0.00 58.65 58.33 3jra h GLN 74 Cb 1.07 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.66 3jra h GLN 74 CO 1.29 0.96 0.54 1.15 -0.67 0.00 0.00 178.83 182.09 3jra h THR 75 N 0.95 1.08 0.03 -0.54 2.02 -1.99 -0.09 112.91 114.38 3jra h THR 75 Ca 0.19 -0.35 -0.26 0.00 0.77 0.00 0.00 66.41 66.77 3jra h THR 75 Cb 0.42 -0.02 0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3jra h THR 75 CO 0.01 0.18 -1.06 0.03 0.37 0.00 0.00 175.52 175.05 3jra h ARG 76 N 1.01 0.55 0.19 6.66 3.08 -1.92 -3.17 114.38 120.79 3jra h ARG 76 Ca 0.36 -0.64 0.01 0.00 0.07 0.00 0.00 59.98 59.78 3jra h ARG 76 Cb 0.10 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3jra h ARG 76 CO -0.15 1.25 -0.24 0.00 -1.07 0.00 0.00 179.97 179.76 3jra h ALA 77 N 0.51 -0.46 0.04 0.04 0.00 -0.33 -1.54 119.26 117.52 3jra h ALA 77 Ca -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3jra h ALA 77 Cb 1.72 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 3jra h ALA 77 CO 0.20 -0.79 -0.51 0.00 0.00 0.00 0.00 179.25 178.14 3jra h ALA 78 N 0.22 -0.95 -1.00 0.00 0.00 -1.14 -1.55 119.26 114.84 3jra h ALA 78 Ca 0.01 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.07 3jra h ALA 78 Cb 0.47 0.92 -0.19 0.00 0.00 0.00 0.00 17.79 18.99 3jra h ALA 78 CO -0.08 -1.09 -0.10 1.28 0.00 0.00 0.00 179.25 179.25 3jra n LEU 79 N -5.31 -0.23 0.20 0.00 7.99 -1.17 -0.69 117.00 117.79 3jra n LEU 79 Ca -0.07 1.70 0.06 0.00 -0.01 0.00 0.00 56.01 57.69 3jra n LEU 79 Cb 0.38 -0.57 0.42 0.00 -0.11 0.00 0.00 43.42 43.54 3jra n LEU 79 CO 0.13 -1.69 0.75 -0.03 -1.51 0.00 0.00 177.39 175.05 3jra h MET 80 N 0.00 0.00 0.00 3.23 4.05 -0.30 -3.00 114.93 118.91 3jra h MET 80 Ca 0.55 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.74 3jra h MET 80 Cb 1.01 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.77 3jra h MET 80 CO -0.98 0.33 -1.86 -1.33 0.23 0.00 0.00 176.91 173.30 3jra n MET 81 N -3.75 0.65 -0.10 0.39 2.81 -0.23 -5.00 117.12 111.88 3jra n MET 81 Ca -0.01 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3jra n MET 81 Cb 0.42 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3jra n MET 81 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3jra n GLY 82 N 1.51 0.95 3.48 3.03 0.00 0.13 -5.09 105.19 109.20 3jra n GLY 82 Ca -0.18 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3jra n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3jra s ILE 83 N -2.00 3.14 0.16 -0.61 -0.00 -1.16 -5.02 121.20 115.72 3jra s ILE 83 Ca 0.00 -0.69 -0.33 0.00 -0.00 0.00 0.00 60.65 59.63 3jra s ILE 83 Cb 0.00 -2.24 -0.16 0.00 -0.00 0.00 0.00 42.46 40.06 3jra s ILE 83 CO 0.00 0.59 1.20 -3.20 -0.00 0.00 0.00 174.94 173.53 3jra n ASN 84 N 2.37 1.46 -0.24 4.36 2.85 -1.26 -4.36 115.26 120.44 3jra n ASN 84 Ca -0.17 1.14 -0.04 0.00 -0.11 0.00 0.00 54.58 55.40 3jra n ASN 84 Cb 0.52 -1.22 0.02 0.00 1.24 0.00 0.00 39.78 40.34 3jra n ASN 84 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3jra h ARG 85 N 3.58 -0.12 -0.95 1.20 2.43 -1.92 0.28 114.38 118.88 3jra h ARG 85 Ca -0.44 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 58.99 3jra h ARG 85 Cb 1.34 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.78 3jra h ARG 85 CO 0.71 -0.08 0.47 0.78 -1.51 0.00 0.00 179.97 180.34 3jra h GLY 86 N -0.12 1.73 0.85 2.80 0.00 -1.99 0.16 103.07 106.49 3jra h GLY 86 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3jra h GLY 86 CO -0.74 -0.31 -0.26 -0.84 0.00 0.00 0.00 176.54 174.39 3jra h THR 87 N 0.42 0.46 -0.92 4.70 2.02 -1.29 -1.69 112.91 116.61 3jra h THR 87 Ca 0.62 0.00 0.24 0.00 0.77 0.00 0.00 66.41 68.04 3jra h THR 87 Cb 1.23 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3jra h THR 87 CO -0.54 0.00 0.63 0.25 0.37 0.00 0.00 175.52 176.23 3jra h LEU 88 N -0.62 0.21 -0.15 2.58 5.85 -0.39 0.12 115.31 122.89 3jra h LEU 88 Ca -0.04 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3jra h LEU 88 Cb 0.53 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3jra h LEU 88 CO 0.02 0.07 -0.22 0.03 -0.34 0.00 0.00 178.44 178.01 3jra h ARG 89 N 0.20 0.42 -0.73 1.25 3.08 -0.81 -2.06 114.38 115.73 3jra h ARG 89 Ca 0.46 -0.25 0.12 0.00 0.07 0.00 0.00 59.98 60.38 3jra h ARG 89 Cb 1.48 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.47 3jra h ARG 89 CO -0.10 0.83 0.33 -0.22 -1.07 0.00 0.00 179.97 179.73 3jra h LYS 90 N 0.05 0.51 -0.33 0.04 3.11 0.12 0.75 116.57 120.81 3jra h LYS 90 Ca 0.02 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.73 3jra h LYS 90 Cb 0.78 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 3jra h LYS 90 CO 0.05 0.34 -0.17 0.87 -2.81 0.00 0.00 179.45 177.73 3jra h LYS 91 N 0.52 0.69 0.44 1.90 1.57 -1.21 0.02 116.57 120.49 3jra h LYS 91 Ca 0.38 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3jra h LYS 91 Cb 0.50 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3jra h LYS 91 CO -0.33 0.91 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.13 3jra h LEU 92 N 0.46 -0.62 -0.84 2.94 3.38 -0.77 -1.48 115.31 118.38 3jra h LEU 92 Ca 0.07 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.28 3jra h LEU 92 Cb 0.71 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 3jra h LEU 92 CO 0.05 -0.41 0.27 0.50 0.09 0.00 0.00 178.44 178.94 3jra h LYS 93 N -0.65 0.29 -0.01 1.13 1.63 -0.84 0.35 116.57 118.47 3jra h LYS 93 Ca -0.05 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3jra h LYS 93 Cb 0.52 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 3jra h LYS 93 CO 0.06 0.19 0.01 -0.22 -3.45 0.00 0.00 179.45 176.04 3jra h LYS 94 N 0.29 0.00 -0.13 1.90 3.11 0.04 -0.68 116.57 121.11 3jra h LYS 94 Ca 0.51 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.35 3jra h LYS 94 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 3jra h LYS 94 CO -0.56 0.00 0.00 0.66 -2.81 0.00 0.00 179.45 176.74 3jra n TYR 95 N -4.35 0.17 -3.40 1.91 4.01 -0.60 -5.01 117.16 109.89 3jra n TYR 95 Ca -0.03 -0.21 -0.18 0.00 -0.16 0.00 0.00 57.90 57.33 3jra n TYR 95 Cb 0.10 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.19 3jra n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jra n GLY 96 N 0.47 -0.73 0.19 2.72 0.00 0.10 -4.93 105.19 103.01 3jra n GLY 96 Ca 0.07 0.33 0.10 0.00 0.00 0.00 0.00 46.02 46.53 3jra n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3jra n MET 97 N -3.77 0.53 0.00 1.61 2.81 -0.07 -5.00 117.12 113.23 3jra n MET 97 Ca -0.19 -0.39 0.11 0.00 -1.81 0.00 0.00 57.70 55.42 3jra n MET 97 Cb 0.65 -1.48 0.63 0.00 -0.71 0.00 0.00 33.22 32.30 3jra n MET 97 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75