#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdk n ASN 3 N 0.00 -5.89 -0.16 1.61 3.02 0.02 -4.22 115.26 109.64 2rdk n ASN 3 Ca 0.00 -0.12 0.22 0.00 -0.03 0.00 0.00 54.58 54.65 2rdk n ASN 3 Cb 0.00 -4.83 0.62 0.00 -0.61 0.00 0.00 39.78 34.96 2rdk n ASN 3 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2rdk h PHE 4 N -0.55 0.24 0.00 3.10 -5.15 -1.46 -2.37 116.94 110.75 2rdk h PHE 4 Ca -0.50 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 2rdk h PHE 4 Cb 1.36 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 37.45 2rdk h PHE 4 CO 0.53 0.07 0.00 0.66 -2.00 0.00 0.00 178.31 177.57 2rdk h SER 5 N 0.19 0.00 1.70 -0.68 4.64 -1.86 0.04 113.55 117.56 2rdk h SER 5 Ca 0.40 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 2rdk h SER 5 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2rdk h SER 5 CO -0.08 0.00 -0.31 1.56 -0.87 0.00 0.00 176.83 177.14 2rdk h GLN 6 N 0.00 0.00 0.00 4.77 4.20 -1.83 -3.30 115.11 118.96 2rdk h GLN 6 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2rdk h GLN 6 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2rdk h GLN 6 CO 0.00 0.27 -1.08 0.00 -0.67 0.00 0.00 178.83 177.36 2rdk n ALA 7 N -2.17 4.21 -2.31 3.87 0.00 -0.10 -5.01 120.51 118.98 2rdk n ALA 7 Ca 0.03 -0.54 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 2rdk n ALA 7 Cb 0.65 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 2rdk n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rdk s TYR 9 N -3.39 0.13 -1.78 0.00 -0.85 0.38 -4.79 117.35 107.05 2rdk s TYR 9 Ca 0.26 -0.53 -0.00 0.00 -0.52 0.00 0.00 57.07 56.28 2rdk s TYR 9 Cb 0.05 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.78 2rdk s TYR 9 CO 0.07 -1.08 0.03 0.09 -1.52 0.00 0.00 175.55 173.14 2rdk n ASN 10 N -0.41 -5.94 -4.76 -0.18 3.02 -1.26 -1.40 115.26 104.34 2rdk n ASN 10 Ca -0.03 -0.03 -0.35 0.00 -0.03 0.00 0.00 54.58 54.14 2rdk n ASN 10 Cb 0.61 -4.93 0.03 0.00 -0.61 0.00 0.00 39.78 34.88 2rdk n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2rdk s SER 11 N -2.09 5.21 0.02 6.41 0.01 -1.26 -4.62 113.70 117.38 2rdk s SER 11 Ca 0.02 2.20 -0.18 0.00 1.31 0.00 0.00 55.95 59.29 2rdk s SER 11 Cb -0.01 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.68 2rdk s SER 11 CO 0.02 -1.57 0.40 0.00 0.41 0.00 0.00 173.24 172.51 2rdk s ALA 12 N -1.92 -1.00 -0.10 1.44 0.00 -0.38 -5.00 121.76 114.81 2rdk s ALA 12 Ca 0.72 0.40 0.03 0.00 0.00 0.00 0.00 51.96 53.11 2rdk s ALA 12 Cb -0.25 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2rdk s ALA 12 CO 0.35 -0.38 -0.19 0.42 0.00 0.00 0.00 175.76 175.96 2rdk s ILE 13 N -2.00 2.56 -0.09 0.00 1.01 -1.26 -1.10 121.20 120.32 2rdk s ILE 13 Ca -0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2rdk s ILE 13 Cb -0.02 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.46 2rdk s ILE 13 CO 0.01 0.55 -0.01 0.00 0.00 0.00 0.00 174.94 175.49 2rdk s GLN 14 N 0.14 0.74 7.39 2.79 0.00 -0.68 -4.71 119.66 125.33 2rdk s GLN 14 Ca -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 55.36 55.27 2rdk s GLN 14 Cb -0.16 -1.16 0.00 0.00 0.00 0.00 0.00 33.01 31.69 2rdk s GLN 14 CO 0.06 -0.33 0.00 0.41 0.00 0.00 0.00 175.29 175.43 2rdk n GLY 15 N 5.11 3.90 1.06 2.60 0.00 -1.26 -0.87 105.19 115.72 2rdk n GLY 15 Ca -0.08 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2rdk n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rdk n SER 16 N 6.63 3.42 -4.67 1.61 3.41 -1.26 -4.76 113.62 118.01 2rdk n SER 16 Ca 0.00 -1.96 -0.37 0.00 -0.26 0.00 0.00 58.87 56.28 2rdk n SER 16 Cb 0.00 -0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 63.54 2rdk n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rdk s VAL 17 N -1.14 5.30 -0.18 -3.33 1.01 -0.05 -0.28 120.40 121.73 2rdk s VAL 17 Ca 0.37 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 2rdk s VAL 17 Cb 0.20 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2rdk s VAL 17 CO 0.27 0.31 0.50 -0.22 0.00 0.00 0.00 175.10 175.96 2rdk s LEU 18 N 1.13 4.18 0.01 3.92 2.96 -0.50 -1.68 118.68 128.70 2rdk s LEU 18 Ca 0.12 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 2rdk s LEU 18 Cb -0.14 -2.69 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 2rdk s LEU 18 CO 0.06 -0.12 -0.12 0.28 -1.32 0.00 0.00 176.35 175.12 2rdk s THR 19 N 1.34 3.23 0.10 3.68 -1.32 -0.26 -1.11 115.64 121.29 2rdk s THR 19 Ca 0.24 -0.94 -0.25 0.00 -1.21 0.00 0.00 61.69 59.53 2rdk s THR 19 Cb -0.15 -2.37 0.08 0.00 -1.51 0.00 0.00 72.50 68.54 2rdk s THR 19 CO 0.10 0.39 0.68 -0.55 -2.21 0.00 0.00 174.62 173.02 2rdk s SER 20 N -1.36 -0.53 -0.24 8.08 0.15 -0.58 -1.25 113.70 117.97 2rdk s SER 20 Ca 0.15 0.08 -0.07 0.00 0.70 0.00 0.00 55.95 56.82 2rdk s SER 20 Cb -0.11 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.72 2rdk s SER 20 CO 0.06 -0.85 0.05 -0.89 1.20 0.00 0.00 173.24 172.81 2rdk s THR 21 N -3.30 4.13 0.06 6.45 2.01 -0.49 -1.36 115.64 123.14 2rdk s THR 21 Ca 0.01 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.86 2rdk s THR 21 Cb -0.01 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 2rdk s THR 21 CO -0.10 0.36 -0.24 0.00 -0.69 0.00 0.00 174.62 173.96 2rdk s ILE 23 N -0.86 2.43 0.08 0.00 2.07 -0.72 -0.87 121.20 123.34 2rdk s ILE 23 Ca 0.10 0.43 0.04 0.00 -1.41 0.00 0.00 60.65 59.81 2rdk s ILE 23 Cb -0.09 -3.28 -0.04 0.00 0.13 0.00 0.00 42.46 39.18 2rdk s ILE 23 CO 0.03 0.10 0.03 -0.13 -1.91 0.00 0.00 174.94 173.06 2rdk s ARG 24 N -1.87 2.68 0.55 3.50 0.52 0.13 -2.76 118.95 121.71 2rdk s ARG 24 Ca 0.51 -0.78 0.30 0.00 -0.52 0.00 0.00 55.73 55.24 2rdk s ARG 24 Cb -0.43 -2.62 1.61 0.00 0.52 0.00 0.00 34.95 34.04 2rdk s ARG 24 CO 0.57 0.55 2.13 1.79 0.02 0.00 0.00 175.30 180.37 2rdk h THR 25 N 2.76 0.48 0.00 0.02 1.35 -1.88 -1.85 112.91 113.79 2rdk h THR 25 Ca -0.47 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 2rdk h THR 25 Cb 1.16 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2rdk h THR 25 CO 0.62 0.08 0.00 -0.46 -0.25 0.00 0.00 175.52 175.51 2rdk n ASN 26 N -3.62 0.00 0.00 5.36 0.23 -1.26 -4.86 115.26 111.11 2rdk n ASN 26 Ca -0.02 -0.45 0.00 0.00 -0.53 0.00 0.00 54.58 53.58 2rdk n ASN 26 Cb 0.19 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2rdk n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2rdk n GLY 27 N 0.59 2.89 0.00 4.83 0.00 -0.70 -5.07 105.19 107.73 2rdk n GLY 27 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2rdk n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rdk n GLY 28 N -1.25 0.58 3.22 -0.02 0.00 -1.25 -4.81 105.19 101.66 2rdk n GLY 28 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 2rdk n GLY 28 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2rdk s TYR 29 N 0.90 0.31 -0.01 1.61 -0.85 -1.26 -0.69 117.35 117.37 2rdk s TYR 29 Ca 0.00 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 2rdk s TYR 29 Cb 0.00 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.22 2rdk s TYR 29 CO 0.00 -0.57 -0.01 1.21 -1.52 0.00 0.00 175.55 174.66 2rdk s ASN 30 N -2.91 0.17 -0.13 -0.18 2.47 -0.05 -4.85 114.94 109.45 2rdk s ASN 30 Ca 0.10 -0.02 -0.21 0.00 0.42 0.00 0.00 52.86 53.15 2rdk s ASN 30 Cb 0.05 -0.04 -0.03 0.00 -1.45 0.00 0.00 41.25 39.78 2rdk s ASN 30 CO -0.07 -0.01 0.62 0.28 -3.72 0.00 0.00 177.10 174.20 2rdk s THR 31 N 0.18 5.07 0.31 -5.21 -1.32 -1.26 -0.57 115.64 112.84 2rdk s THR 31 Ca -0.01 1.23 0.01 0.00 -1.21 0.00 0.00 61.69 61.71 2rdk s THR 31 Cb -0.03 -3.95 -0.02 0.00 -1.51 0.00 0.00 72.50 66.99 2rdk s THR 31 CO -0.01 0.21 0.35 -0.94 -2.21 0.00 0.00 174.62 172.02 2rdk s SER 32 N 0.91 1.03 0.06 8.08 1.04 -0.46 -5.00 113.70 119.36 2rdk s SER 32 Ca 0.31 -1.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.13 2rdk s SER 32 Cb -0.16 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2rdk s SER 32 CO 0.13 -1.13 0.14 -0.94 0.98 0.00 0.00 173.24 172.42 2rdk s SER 33 N -3.26 0.17 -0.09 7.02 1.04 -1.26 -1.53 113.70 115.78 2rdk s SER 33 Ca 0.35 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 56.10 2rdk s SER 33 Cb 0.02 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.45 2rdk s SER 33 CO 0.21 -0.62 0.23 -0.51 0.98 0.00 0.00 173.24 173.53 2rdk s ILE 34 N -3.28 -0.01 -0.58 -1.02 2.07 -0.27 -4.78 121.20 113.33 2rdk s ILE 34 Ca 0.01 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.02 2rdk s ILE 34 Cb 0.03 -0.33 0.04 0.00 0.13 0.00 0.00 42.46 42.33 2rdk s ILE 34 CO -0.08 0.01 1.03 -0.62 -1.91 0.00 0.00 174.94 173.37 2rdk s ASP 35 N 0.34 6.34 0.38 4.50 2.15 -1.26 -1.41 116.67 127.71 2rdk s ASP 35 Ca -0.02 -0.30 0.28 0.00 0.43 0.00 0.00 52.55 52.94 2rdk s ASP 35 Cb -0.03 -2.47 1.22 0.00 -0.30 0.00 0.00 42.92 41.34 2rdk s ASP 35 CO -0.01 -1.35 1.83 -0.07 -0.17 0.00 0.00 175.17 175.39 2rdk h LEU 36 N 11.38 0.00 -2.22 -1.34 3.38 -1.02 -2.85 115.31 122.65 2rdk h LEU 36 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2rdk h LEU 36 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2rdk h LEU 36 CO 1.13 0.00 0.00 -1.13 0.09 0.00 0.00 178.44 178.53 2rdk h ASN 37 N 0.00 0.00 0.96 -0.43 -1.24 -1.87 -1.66 115.58 111.34 2rdk h ASN 37 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2rdk h ASN 37 Cb 0.32 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 2rdk h ASN 37 CO 0.00 0.00 -0.10 0.77 -1.29 0.00 0.00 177.43 176.81 2rdk h SER 38 N 0.00 0.00 0.00 1.15 4.64 -1.83 -0.24 113.55 117.27 2rdk h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rdk h SER 38 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2rdk h SER 38 CO 0.00 0.10 0.00 1.33 -0.87 0.00 0.00 176.83 177.39 2rdk n VAL 39 N -3.25 0.00 -4.92 0.95 0.24 -0.68 -4.49 118.33 106.17 2rdk n VAL 39 Ca 0.00 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.34 61.84 2rdk n VAL 39 Cb 0.36 1.55 -0.16 0.00 -1.47 0.00 0.00 33.84 34.12 2rdk n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2rdk s ILE 40 N -0.04 1.56 0.08 1.34 1.01 -0.84 -3.71 121.20 120.60 2rdk s ILE 40 Ca 0.00 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.95 2rdk s ILE 40 Cb 0.00 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 2rdk s ILE 40 CO 0.00 0.45 -0.20 -0.70 0.00 0.00 0.00 174.94 174.48 2rdk s GLU 41 N 0.04 1.85 -0.48 2.79 2.12 0.53 -2.60 118.70 122.94 2rdk s GLU 41 Ca -0.05 -1.11 -0.23 0.00 0.36 0.00 0.00 54.97 53.94 2rdk s GLU 41 Cb -0.12 -2.10 0.03 0.00 0.26 0.00 0.00 34.13 32.20 2rdk s GLU 41 CO 0.03 0.50 0.79 1.21 -0.54 0.00 0.00 175.26 177.26 2rdk s ASN 42 N -1.72 6.36 -0.47 -1.70 2.47 -1.26 -0.75 114.94 117.88 2rdk s ASN 42 Ca 0.15 -0.28 -0.09 0.00 0.42 0.00 0.00 52.86 53.06 2rdk s ASN 42 Cb -0.10 -2.38 0.12 0.00 -1.45 0.00 0.00 41.25 37.43 2rdk s ASN 42 CO 0.06 -0.98 0.33 -0.69 -3.72 0.00 0.00 177.10 172.11 2rdk s VAL 43 N 3.34 4.14 -1.46 -5.21 1.01 0.26 -4.66 120.40 117.83 2rdk s VAL 43 Ca 0.28 -1.80 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 2rdk s VAL 43 Cb -0.13 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.58 2rdk s VAL 43 CO 0.20 -0.76 0.77 -0.67 0.00 0.00 0.00 175.10 174.64 2rdk n ASP 44 N 4.89 -4.88 0.00 3.32 2.03 -1.26 -1.79 116.55 118.85 2rdk n ASP 44 Ca -0.08 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.69 2rdk n ASP 44 Cb 0.41 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 36.87 2rdk n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rdk n GLY 45 N -1.52 1.72 3.65 0.27 0.00 -1.10 -4.47 105.19 103.73 2rdk n GLY 45 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2rdk n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rdk s SER 46 N -1.62 5.57 0.05 1.61 0.01 -0.74 -4.44 113.70 114.14 2rdk s SER 46 Ca 0.00 0.11 -0.31 0.00 1.31 0.00 0.00 55.95 57.06 2rdk s SER 46 Cb 0.00 -1.88 -0.06 0.00 0.21 0.00 0.00 66.02 64.29 2rdk s SER 46 CO 0.00 0.23 1.29 -0.76 0.41 0.00 0.00 173.24 174.40 2rdk s LEU 47 N 0.05 4.35 0.06 2.44 1.43 -1.26 -0.58 118.68 125.17 2rdk s LEU 47 Ca 0.05 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 2rdk s LEU 47 Cb -0.12 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2rdk s LEU 47 CO 0.01 -0.57 -0.06 -0.54 0.23 0.00 0.00 176.35 175.42 2rdk s LYS 48 N 1.40 0.62 1.02 1.70 -0.14 0.07 -4.81 119.74 119.60 2rdk s LYS 48 Ca 0.61 -1.01 -0.17 0.00 -1.36 0.00 0.00 55.97 54.05 2rdk s LYS 48 Cb -0.31 -0.15 0.22 0.00 -1.68 0.00 0.00 37.83 35.91 2rdk s LYS 48 CO 0.28 -0.01 1.26 -1.58 -0.76 0.00 0.00 175.35 174.54 2rdk s TRP 49 N -2.53 1.39 -0.61 3.18 0.52 -1.26 -0.35 118.94 119.28 2rdk s TRP 49 Ca -0.01 0.39 0.00 0.00 0.02 0.00 0.00 56.10 56.51 2rdk s TRP 49 Cb -0.02 -3.91 0.00 0.00 -1.15 0.00 0.00 33.47 28.39 2rdk s TRP 49 CO -0.03 -2.93 0.00 1.04 0.02 0.00 0.00 176.95 175.05 2rdk n GLN 50 N -4.00 -0.51 -0.44 4.98 1.13 -1.24 -4.70 117.38 112.60 2rdk n GLN 50 Ca 0.14 0.46 0.00 0.00 -1.94 0.00 0.00 57.00 55.66 2rdk n GLN 50 Cb 0.59 -4.30 0.00 0.00 0.11 0.00 0.00 30.24 26.65 2rdk n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rdk n GLY 51 N -1.39 2.37 3.52 1.08 0.00 -1.26 -4.99 105.19 104.53 2rdk n GLY 51 Ca -0.07 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2rdk n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rdk s SER 52 N 0.82 0.42 -0.05 1.61 0.01 -1.24 -2.12 113.70 113.16 2rdk s SER 52 Ca 0.00 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2rdk s SER 52 Cb 0.00 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2rdk s SER 52 CO 0.00 -1.23 0.00 0.59 0.41 0.00 0.00 173.24 173.01 2rdk n ASN 53 N -0.93 -3.08 -0.04 2.44 5.03 -0.10 -4.25 115.26 114.31 2rdk n ASN 53 Ca -0.00 0.01 0.20 0.00 0.87 0.00 0.00 54.58 55.66 2rdk n ASN 53 Cb 0.62 -0.63 0.67 0.00 -1.02 0.00 0.00 39.78 39.42 2rdk n ASN 53 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 2rdk h PHE 54 N 0.00 0.07 0.00 3.10 -5.15 -1.73 -2.42 116.94 110.82 2rdk h PHE 54 Ca -0.01 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 2rdk h PHE 54 Cb 0.04 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 36.19 2rdk h PHE 54 CO 0.02 0.03 -0.03 0.97 -2.00 0.00 0.00 178.31 177.29 2rdk h ILE 55 N 0.06 0.12 0.00 0.88 6.09 -1.89 -2.01 117.51 120.76 2rdk h ILE 55 Ca 0.29 -0.40 -0.05 0.00 -1.37 0.00 0.00 64.86 63.33 2rdk h ILE 55 Cb 1.07 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 39.70 2rdk h ILE 55 CO -0.02 0.03 -0.23 -0.33 -3.07 0.00 0.00 178.15 174.53 2rdk h GLU 56 N 0.00 0.00 0.00 2.19 5.08 -1.85 -3.29 114.58 116.71 2rdk h GLU 56 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2rdk h GLU 56 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2rdk h GLU 56 CO 0.00 0.23 -0.40 0.25 -1.00 0.00 0.00 179.01 178.09 2rdk n THR 57 N -3.61 0.63 -4.37 1.13 -2.24 -0.81 -5.06 114.28 99.96 2rdk n THR 57 Ca -0.01 -0.87 -0.19 0.00 -2.27 0.00 0.00 64.05 60.72 2rdk n THR 57 Cb 0.36 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 2rdk n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rdk s ARG 59 N -3.76 1.04 -1.28 0.00 1.70 0.97 -4.87 118.95 112.75 2rdk s ARG 59 Ca 0.27 -1.33 -0.01 0.00 -0.47 0.00 0.00 55.73 54.19 2rdk s ARG 59 Cb 0.03 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 2rdk s ARG 59 CO 0.09 -0.34 0.82 0.09 -1.08 0.00 0.00 175.30 174.88 2rdk n ASN 60 N -0.15 -1.70 -4.77 -2.89 3.02 -1.26 -1.42 115.26 106.09 2rdk n ASN 60 Ca -0.06 -0.75 -0.40 0.00 -0.03 0.00 0.00 54.58 53.35 2rdk n ASN 60 Cb 0.63 -4.43 -0.02 0.00 -0.61 0.00 0.00 39.78 35.36 2rdk n ASN 60 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2rdk s THR 61 N -3.55 2.80 0.04 3.41 -4.23 -1.26 -4.43 115.64 108.42 2rdk s THR 61 Ca 0.04 0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 61.18 2rdk s THR 61 Cb -0.02 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.38 2rdk s THR 61 CO 0.78 0.13 0.25 -1.10 -0.54 0.00 0.00 174.62 174.15 2rdk s GLN 62 N -2.05 0.74 -0.19 3.99 -0.21 -0.14 -4.75 119.66 117.06 2rdk s GLN 62 Ca 0.53 -0.54 -0.15 0.00 0.02 0.00 0.00 55.36 55.22 2rdk s GLN 62 Cb -0.37 0.32 -0.04 0.00 1.00 0.00 0.00 33.01 33.92 2rdk s GLN 62 CO 0.48 -0.23 0.37 -1.17 -2.12 0.00 0.00 175.29 172.63 2rdk s LEU 63 N -2.01 4.18 -0.15 2.90 2.96 -1.26 -0.83 118.68 124.47 2rdk s LEU 63 Ca -0.06 0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 2rdk s LEU 63 Cb -0.01 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 2rdk s LEU 63 CO -0.03 -0.03 -0.06 0.00 -1.32 0.00 0.00 176.35 174.91 2rdk s ALA 64 N 1.08 2.88 0.00 5.97 0.00 0.63 -4.96 121.76 127.35 2rdk s ALA 64 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2rdk s ALA 64 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2rdk s ALA 64 CO 0.07 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2rdk n GLY 65 N 3.64 1.95 0.08 0.00 0.00 -1.26 -2.06 105.19 107.54 2rdk n GLY 65 Ca -0.18 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.49 2rdk n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rdk n SER 66 N -1.15 0.75 0.00 1.61 7.64 -1.26 -4.68 113.62 116.53 2rdk n SER 66 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2rdk n SER 66 Cb 0.00 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2rdk n SER 66 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rdk n SER 67 N -2.35 0.00 -4.66 6.43 3.41 -1.23 -4.84 113.62 110.38 2rdk n SER 67 Ca 0.01 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.25 2rdk n SER 67 Cb 0.49 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 2rdk n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2rdk s GLU 68 N 0.00 4.12 -0.14 4.33 2.56 -0.88 -0.27 118.70 128.42 2rdk s GLU 68 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.97 54.72 2rdk s GLU 68 Cb 0.00 -3.55 -0.03 0.00 2.00 0.00 0.00 34.13 32.56 2rdk s GLU 68 CO 0.00 -0.02 0.73 -1.17 -0.56 0.00 0.00 175.26 174.25 2rdk s LEU 69 N 1.26 4.22 0.03 2.70 2.96 0.05 -0.27 118.68 129.64 2rdk s LEU 69 Ca 0.14 1.10 0.08 0.00 -0.22 0.00 0.00 54.13 55.22 2rdk s LEU 69 Cb -0.14 -3.10 -0.03 0.00 0.50 0.00 0.00 46.19 43.42 2rdk s LEU 69 CO 0.07 -0.26 -0.22 0.00 -1.32 0.00 0.00 176.35 174.62 2rdk s ALA 70 N 1.58 2.44 0.33 5.97 0.00 -0.01 -0.97 121.76 131.10 2rdk s ALA 70 Ca 0.36 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 2rdk s ALA 70 Cb -0.17 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.34 2rdk s ALA 70 CO 0.14 0.55 0.71 0.00 0.00 0.00 0.00 175.76 177.16 2rdk s ALA 71 N -0.85 -0.73 -0.17 0.00 0.00 -0.40 -0.96 121.76 118.65 2rdk s ALA 71 Ca 0.13 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2rdk s ALA 71 Cb -0.10 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2rdk s ALA 71 CO 0.03 -0.98 -0.17 -1.21 0.00 0.00 0.00 175.76 173.44 2rdk s GLU 72 N -3.12 3.11 0.09 0.00 2.02 -0.51 -1.01 118.70 119.28 2rdk s GLU 72 Ca 0.16 -0.79 0.08 0.00 0.02 0.00 0.00 54.97 54.44 2rdk s GLU 72 Cb -0.05 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.53 2rdk s GLU 72 CO 0.10 -0.12 -0.21 0.00 0.02 0.00 0.00 175.26 175.06 2rdk s LYS 74 N -1.72 4.64 0.97 0.00 1.02 -0.26 -1.39 119.74 122.99 2rdk s LYS 74 Ca 0.06 1.35 -0.14 0.00 0.02 0.00 0.00 55.97 57.27 2rdk s LYS 74 Cb -0.10 -3.38 0.17 0.00 -0.52 0.00 0.00 37.83 34.00 2rdk s LYS 74 CO 0.04 0.20 1.15 0.95 -0.92 0.00 0.00 175.35 176.77 2rdk s THR 75 N 0.10 1.94 0.44 2.17 -4.23 0.50 -2.72 115.64 113.84 2rdk s THR 75 Ca 0.45 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.07 2rdk s THR 75 Cb -0.22 -2.72 0.28 0.00 1.34 0.00 0.00 72.50 71.18 2rdk s THR 75 CO 0.28 0.00 2.06 0.03 -0.54 0.00 0.00 174.62 176.45 2rdk h ARG 76 N -1.70 0.37 -0.00 3.99 3.08 -1.90 0.20 114.38 118.42 2rdk h ARG 76 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2rdk h ARG 76 Cb 1.32 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2rdk h ARG 76 CO 0.55 0.25 0.00 0.00 -1.07 0.00 0.00 179.97 179.70 2rdk n ALA 77 N -2.50 2.57 -2.12 0.04 0.00 -1.26 -4.90 120.51 112.33 2rdk n ALA 77 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2rdk n ALA 77 Cb 0.15 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 2rdk n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2rdk n GLN 78 N -0.68 -0.47 -4.37 0.00 1.13 0.06 -5.05 117.38 108.00 2rdk n GLN 78 Ca 0.09 0.25 -0.27 0.00 -1.94 0.00 0.00 57.00 55.13 2rdk n GLN 78 Cb 0.04 -4.01 -0.11 0.00 0.11 0.00 0.00 30.24 26.27 2rdk n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2rdk s GLN 79 N -4.30 1.70 -0.02 -1.09 -0.21 -1.26 -4.85 119.66 109.63 2rdk s GLN 79 Ca 0.01 -1.41 -0.15 0.00 0.02 0.00 0.00 55.36 53.83 2rdk s GLN 79 Cb -0.00 -1.97 -0.05 0.00 1.00 0.00 0.00 33.01 31.99 2rdk s GLN 79 CO 0.01 0.42 0.39 -0.06 -2.12 0.00 0.00 175.29 173.93 2rdk s PHE 80 N -1.62 3.69 0.12 0.91 0.08 -1.26 -0.37 117.98 119.54 2rdk s PHE 80 Ca 0.22 0.94 0.04 0.00 0.12 0.00 0.00 56.93 58.25 2rdk s PHE 80 Cb -0.08 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2rdk s PHE 80 CO 0.11 0.59 -0.10 0.14 -0.10 0.00 0.00 175.22 175.86 2rdk s VAL 81 N -0.86 1.06 0.11 -0.44 -7.23 -0.48 -4.94 120.40 107.62 2rdk s VAL 81 Ca 0.23 -1.85 -0.19 0.00 -1.81 0.00 0.00 61.98 58.36 2rdk s VAL 81 Cb -0.16 -1.61 -0.07 0.00 0.56 0.00 0.00 36.38 35.09 2rdk s VAL 81 CO 0.12 -0.65 0.59 -0.44 -0.31 0.00 0.00 175.10 174.42 2rdk s SER 82 N -2.81 7.04 0.08 4.85 0.01 -1.26 -0.76 113.70 120.85 2rdk s SER 82 Ca 0.11 1.27 -0.11 0.00 1.31 0.00 0.00 55.95 58.53 2rdk s SER 82 Cb -0.00 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.88 2rdk s SER 82 CO 0.00 0.21 0.25 0.28 0.41 0.00 0.00 173.24 174.39 2rdk s THR 83 N -1.23 0.11 0.08 1.44 -1.32 -0.18 -4.94 115.64 109.61 2rdk s THR 83 Ca 0.33 -0.92 -0.09 0.00 -1.21 0.00 0.00 61.69 59.80 2rdk s THR 83 Cb -0.19 -1.15 -0.00 0.00 -1.51 0.00 0.00 72.50 69.65 2rdk s THR 83 CO 0.20 -0.51 0.19 -1.59 -2.21 0.00 0.00 174.62 170.70 2rdk s LYS 84 N -3.35 0.82 -0.11 7.08 -2.85 -1.26 -1.27 119.74 118.80 2rdk s LYS 84 Ca 0.01 -0.91 -0.13 0.00 -1.00 0.00 0.00 55.97 53.94 2rdk s LYS 84 Cb 0.02 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 36.16 2rdk s LYS 84 CO -0.08 -0.25 0.35 -1.50 0.10 0.00 0.00 175.35 173.96 2rdk s ILE 85 N -3.66 0.01 -0.52 3.79 2.07 -0.15 -4.67 121.20 118.06 2rdk s ILE 85 Ca 0.03 -0.08 -0.24 0.00 -1.41 0.00 0.00 60.65 58.96 2rdk s ILE 85 Cb 0.04 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.15 2rdk s ILE 85 CO -0.10 -0.05 0.89 0.21 -1.91 0.00 0.00 174.94 173.98 2rdk s ASN 86 N -0.08 6.35 0.59 4.50 3.84 -1.26 -0.77 114.94 128.12 2rdk s ASN 86 Ca -0.02 -0.32 0.33 0.00 0.21 0.00 0.00 52.86 53.05 2rdk s ASN 86 Cb -0.03 -2.42 1.89 0.00 -0.55 0.00 0.00 41.25 40.14 2rdk s ASN 86 CO 0.01 -1.13 2.24 -0.07 -2.79 0.00 0.00 177.10 175.36 2rdk h LEU 87 N 10.69 0.00 -1.20 3.21 3.38 -1.01 -1.57 115.31 128.81 2rdk h LEU 87 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2rdk h LEU 87 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2rdk h LEU 87 CO 1.05 0.03 0.00 0.47 0.09 0.00 0.00 178.44 180.08 2rdk n ASP 88 N -3.59 0.63 -0.28 -0.43 8.00 -1.25 -0.82 116.55 118.81 2rdk n ASP 88 Ca -0.03 0.74 -0.00 0.00 0.71 0.00 0.00 54.79 56.21 2rdk n ASP 88 Cb 0.12 -0.84 0.19 0.00 -0.02 0.00 0.00 41.12 40.58 2rdk n ASP 88 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2rdk h ASP 89 N 0.00 0.98 0.00 -2.24 3.32 -1.66 0.09 116.42 116.91 2rdk h ASP 89 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2rdk h ASP 89 Cb 0.14 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2rdk h ASP 89 CO 0.00 0.71 -0.01 1.41 -1.72 0.00 0.00 179.24 179.63 2rdk n HIS 90 N -4.41 0.00 -3.31 4.55 8.25 -1.01 -4.25 115.22 115.04 2rdk n HIS 90 Ca 0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 2rdk n HIS 90 Cb 0.02 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.06 2rdk n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2rdk s ILE 91 N -0.05 5.13 0.35 1.59 -1.09 0.00 -0.31 121.20 126.83 2rdk s ILE 91 Ca 0.00 0.78 0.09 0.00 -2.23 0.00 0.00 60.65 59.29 2rdk s ILE 91 Cb 0.00 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 2rdk s ILE 91 CO 0.00 0.16 -0.01 0.00 -1.23 0.00 0.00 174.94 173.86 2rdk s ALA 92 N 1.86 3.14 -0.17 9.38 0.00 0.33 -1.27 121.76 135.04 2rdk s ALA 92 Ca 0.20 -2.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.09 2rdk s ALA 92 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2rdk s ALA 92 CO 0.09 0.03 -0.11 0.00 0.00 0.00 0.00 175.76 175.77 2rdk s ALA 93 N -2.58 2.63 -0.23 0.00 0.00 -1.26 -0.94 121.76 119.38 2rdk s ALA 93 Ca 0.34 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2rdk s ALA 93 Cb 0.02 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.83 2rdk s ALA 93 CO 0.18 -0.05 -0.12 0.42 0.00 0.00 0.00 175.76 176.19 2rdk s ILE 94 N 0.84 2.01 -1.61 0.00 -1.09 -0.09 -4.76 121.20 116.50 2rdk s ILE 94 Ca -0.04 -1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 56.93 2rdk s ILE 94 Cb -0.15 -2.06 0.10 0.00 -1.58 0.00 0.00 42.46 38.77 2rdk s ILE 94 CO 0.00 0.12 0.55 -0.67 -1.23 0.00 0.00 174.94 173.72 2rdk n ASP 95 N 4.53 -1.67 0.00 3.58 2.03 -1.26 -1.78 116.55 121.98 2rdk n ASP 95 Ca -0.16 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.09 2rdk n ASP 95 Cb 0.45 -2.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.27 2rdk n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rdk n GLY 96 N -1.71 0.73 3.20 0.27 0.00 -1.11 -4.80 105.19 101.77 2rdk n GLY 96 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 2rdk n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rdk s THR 97 N -2.60 1.93 0.18 2.61 2.01 -0.73 -4.52 115.64 114.51 2rdk s THR 97 Ca 0.00 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 2rdk s THR 97 Cb 0.00 -1.67 -0.08 0.00 0.01 0.00 0.00 72.50 70.76 2rdk s THR 97 CO 0.00 0.53 1.26 -0.76 -0.69 0.00 0.00 174.62 174.96 2rdk s LEU 98 N 0.31 4.42 -0.02 4.42 1.43 -1.26 -0.91 118.68 127.08 2rdk s LEU 98 Ca -0.16 2.30 -0.06 0.00 -1.03 0.00 0.00 54.13 55.18 2rdk s LEU 98 Cb -0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2rdk s LEU 98 CO 0.08 -0.47 0.12 -0.54 0.23 0.00 0.00 176.35 175.77 2rdk s LYS 99 N -0.00 0.35 0.08 1.70 -0.14 -0.11 -4.86 119.74 116.74 2rdk s LYS 99 Ca 0.56 -0.20 -0.27 0.00 -1.36 0.00 0.00 55.97 54.70 2rdk s LYS 99 Cb -0.34 0.15 -0.06 0.00 -1.68 0.00 0.00 37.83 35.90 2rdk s LYS 99 CO 0.36 -0.07 0.84 -0.47 -0.76 0.00 0.00 175.35 175.25 2rdk s TYR 100 N -0.85 3.78 -0.12 3.18 5.04 -1.26 -0.51 117.35 126.60 2rdk s TYR 100 Ca -0.09 1.61 0.02 0.00 -2.44 0.00 0.00 57.07 56.16 2rdk s TYR 100 Cb -0.05 -2.91 0.01 0.00 0.35 0.00 0.00 41.96 39.36 2rdk s TYR 100 CO 0.01 0.26 -0.18 -1.21 -1.34 0.00 0.00 175.55 173.09 2rdk s GLU 101 N -0.10 2.50 0.00 4.97 2.02 0.57 -4.94 118.70 123.72 2rdk s GLU 101 Ca 0.41 -0.66 0.24 0.00 0.02 0.00 0.00 54.97 54.98 2rdk s GLU 101 Cb -0.22 -2.07 0.27 0.00 0.10 0.00 0.00 34.13 32.22 2rdk s GLU 101 CO 0.26 -0.03 1.31 -0.11 0.02 0.00 0.00 175.26 176.70