#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rdk h PHE 4 N 0.00 0.67 0.00 3.10 -5.15 -1.50 -2.10 116.94 111.96 2rdk h PHE 4 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 2rdk h PHE 4 Cb 0.00 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 35.97 2rdk h PHE 4 CO 0.00 0.11 0.00 0.66 -2.00 0.00 0.00 178.31 177.08 2rdk h SER 5 N 0.45 0.00 0.39 -0.68 4.64 -1.89 -1.39 113.55 115.06 2rdk h SER 5 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2rdk h SER 5 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2rdk h SER 5 CO -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.69 2rdk n GLN 6 N -2.84 0.60 0.00 4.77 6.02 -0.79 -3.67 117.38 121.48 2rdk n GLN 6 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2rdk n GLN 6 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2rdk n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rdk n ALA 7 N -1.20 1.10 -2.36 -1.58 0.00 -0.54 -5.09 120.51 110.85 2rdk n ALA 7 Ca 0.17 -0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 2rdk n ALA 7 Cb 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.13 0.02 -1.33 0.00 2.02 0.13 -4.89 117.35 110.17 2rdk s TYR 9 Ca 0.25 -0.08 -0.04 0.00 -0.37 0.00 0.00 57.07 56.83 2rdk s TYR 9 Cb 0.03 -0.03 0.02 0.00 -0.40 0.00 0.00 41.96 41.57 2rdk s TYR 9 CO 0.08 -0.30 0.93 0.09 -1.57 0.00 0.00 175.55 174.78 2rdk n ASN 10 N 1.45 -3.06 -4.79 2.29 3.02 -1.26 -1.49 115.26 111.42 2rdk n ASN 10 Ca -0.22 -0.70 -0.34 0.00 -0.03 0.00 0.00 54.58 53.28 2rdk n ASN 10 Cb 0.56 -4.52 -0.01 0.00 -0.61 0.00 0.00 39.78 35.19 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 -3.97 6.03 -0.04 6.41 0.01 -1.26 -4.54 113.70 116.33 2rdk s SER 11 Ca 0.23 1.97 -0.15 0.00 1.31 0.00 0.00 55.95 59.32 2rdk s SER 11 Cb -0.11 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2rdk s SER 11 CO 0.78 -1.00 0.34 0.00 0.41 0.00 0.00 173.24 173.76 2rdk s ALA 12 N -2.03 -0.85 -0.07 1.44 0.00 -0.26 -5.00 121.76 114.99 2rdk s ALA 12 Ca 0.68 0.53 0.05 0.00 0.00 0.00 0.00 51.96 53.22 2rdk s ALA 12 Cb -0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 2rdk s ALA 12 CO 0.26 -0.24 -0.25 0.42 0.00 0.00 0.00 175.76 175.95 2rdk s ILE 13 N -0.98 2.04 -0.05 0.00 1.01 -1.26 -1.11 121.20 120.86 2rdk s ILE 13 Ca -0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 2rdk s ILE 13 Cb -0.04 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.71 2rdk s ILE 13 CO 0.04 0.56 0.02 -1.58 0.00 0.00 0.00 174.94 173.98 2rdk s GLN 14 N 0.03 0.31 5.71 2.79 2.00 -0.48 -4.71 119.66 125.31 2rdk s GLN 14 Ca -0.09 0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.46 2rdk s GLN 14 Cb -0.15 -0.71 0.00 0.00 0.80 0.00 0.00 33.01 32.95 2rdk s GLN 14 CO 0.06 -0.27 0.00 0.41 -0.50 0.00 0.00 175.29 174.99 2rdk n GLY 15 N 4.96 3.62 1.04 2.59 0.00 -1.26 -1.00 105.19 115.14 2rdk n GLY 15 Ca -0.10 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 6.03 3.06 -4.58 1.61 3.41 -1.26 -4.75 113.62 117.14 2rdk n SER 16 Ca 0.00 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.31 2rdk n SER 16 Cb 0.00 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 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 -1.44 4.79 -0.12 -3.33 1.01 -0.17 -0.21 120.40 120.94 2rdk s VAL 17 Ca 0.38 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 2rdk s VAL 17 Cb 0.21 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2rdk s VAL 17 CO 0.29 0.38 0.37 -0.22 0.00 0.00 0.00 175.10 175.93 2rdk s LEU 18 N 0.98 4.30 -0.01 3.92 2.96 -0.46 -1.38 118.68 128.99 2rdk s LEU 18 Ca 0.05 0.68 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 2rdk s LEU 18 Cb -0.14 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 2rdk s LEU 18 CO 0.03 0.11 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.07 2rdk s THR 19 N 0.24 1.67 0.11 3.68 2.01 -0.27 -0.72 115.64 122.37 2rdk s THR 19 Ca 0.21 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 2rdk s THR 19 Cb -0.14 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.01 2rdk s THR 19 CO 0.08 0.46 0.39 -0.55 -0.69 0.00 0.00 174.62 174.31 2rdk s SER 20 N -0.54 -0.22 -0.25 3.53 0.15 -0.80 -1.11 113.70 114.46 2rdk s SER 20 Ca 0.08 -0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 2rdk s SER 20 Cb -0.08 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 2rdk s SER 20 CO -0.01 -0.82 -0.03 -0.89 1.20 0.00 0.00 173.24 172.69 2rdk s THR 21 N -3.62 3.19 0.09 6.45 2.01 -0.55 -2.01 115.64 121.19 2rdk s THR 21 Ca 0.02 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.26 2rdk s THR 21 Cb 0.02 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2rdk s THR 21 CO -0.11 0.22 -0.25 0.00 -0.69 0.00 0.00 174.62 173.80 2rdk s ILE 23 N -0.97 3.74 0.64 0.00 1.01 -0.21 -1.01 121.20 124.39 2rdk s ILE 23 Ca 0.11 1.14 -0.15 0.00 0.00 0.00 0.00 60.65 61.74 2rdk s ILE 23 Cb -0.10 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2rdk s ILE 23 CO 0.04 0.01 1.09 -0.13 0.00 0.00 0.00 174.94 175.95 2rdk s ARG 24 N 2.25 2.99 0.25 2.79 0.52 0.33 -3.69 118.95 124.40 2rdk s ARG 24 Ca 0.63 1.32 -0.03 0.00 -0.52 0.00 0.00 55.73 57.13 2rdk s ARG 24 Cb -0.31 -1.98 0.50 0.00 0.52 0.00 0.00 34.95 33.68 2rdk s ARG 24 CO 0.26 -1.09 1.71 1.15 0.02 0.00 0.00 175.30 177.35 2rdk h THR 25 N 0.17 0.58 -0.15 0.02 2.02 -1.89 -2.22 112.91 111.43 2rdk h THR 25 Ca -0.47 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2rdk h THR 25 Cb 1.24 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2rdk h THR 25 CO 0.55 0.07 0.00 0.59 0.37 0.00 0.00 175.52 177.10 2rdk n ASN 26 N -5.07 3.10 0.00 4.18 5.03 -1.26 -5.05 115.26 116.20 2rdk n ASN 26 Ca 0.15 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.63 2rdk n ASN 26 Cb 0.47 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 2rdk n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rdk n GLY 27 N 1.35 3.82 6.54 7.41 0.00 -0.84 -5.16 105.19 118.32 2rdk n GLY 27 Ca 0.15 -1.73 0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.48 -1.62 3.21 -0.02 0.00 -1.26 -4.30 105.19 99.71 2rdk n GLY 28 Ca 0.00 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 2rdk n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rdk s TYR 29 N -0.11 1.25 0.03 1.61 2.02 -1.26 -0.51 117.35 120.38 2rdk s TYR 29 Ca 0.00 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.14 2rdk s TYR 29 Cb 0.00 -0.67 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2rdk s TYR 29 CO 0.00 0.08 -0.07 1.21 -1.57 0.00 0.00 175.55 175.21 2rdk s ASN 30 N -2.38 0.73 -0.11 2.29 2.47 -0.18 -4.85 114.94 112.91 2rdk s ASN 30 Ca 0.06 -0.43 -0.01 0.00 0.42 0.00 0.00 52.86 52.91 2rdk s ASN 30 Cb -0.05 0.02 -0.03 0.00 -1.45 0.00 0.00 41.25 39.74 2rdk s ASN 30 CO 0.02 -0.14 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.29 2rdk s THR 31 N -1.06 3.57 0.16 -5.21 2.01 -1.26 -0.34 115.64 113.51 2rdk s THR 31 Ca -0.07 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 2rdk s THR 31 Cb -0.08 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.93 2rdk s THR 31 CO 0.00 0.55 0.32 -0.94 -0.69 0.00 0.00 174.62 173.86 2rdk s SER 32 N -0.16 -0.01 0.15 3.53 1.04 -0.85 -5.01 113.70 112.38 2rdk s SER 32 Ca 0.02 -0.75 0.08 0.00 0.48 0.00 0.00 55.95 55.77 2rdk s SER 32 Cb -0.13 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2rdk s SER 32 CO 0.03 -0.90 -0.18 -0.44 0.98 0.00 0.00 173.24 172.73 2rdk s SER 33 N -2.93 2.49 -0.01 7.02 0.01 -1.26 -1.90 113.70 117.12 2rdk s SER 33 Ca 0.14 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2rdk s SER 33 Cb 0.03 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2rdk s SER 33 CO -0.02 -0.05 -0.00 -0.51 0.41 0.00 0.00 173.24 173.07 2rdk s ILE 34 N -1.95 0.09 -0.57 1.44 2.07 0.11 -4.83 121.20 117.56 2rdk s ILE 34 Ca 0.13 0.04 -0.23 0.00 -1.41 0.00 0.00 60.65 59.18 2rdk s ILE 34 Cb -0.06 -0.14 0.05 0.00 0.13 0.00 0.00 42.46 42.44 2rdk s ILE 34 CO 0.05 0.08 0.88 -0.62 -1.91 0.00 0.00 174.94 173.42 2rdk s ASP 35 N 0.49 6.27 0.50 4.50 -1.08 -1.26 -1.35 116.67 124.74 2rdk s ASP 35 Ca -0.04 -0.66 0.34 0.00 -0.52 0.00 0.00 52.55 51.66 2rdk s ASP 35 Cb -0.07 -2.40 1.61 0.00 -1.46 0.00 0.00 42.92 40.60 2rdk s ASP 35 CO -0.01 -1.22 2.01 -0.07 0.52 0.00 0.00 175.17 176.40 2rdk h LEU 36 N 10.80 0.00 -2.60 -1.34 3.38 -0.97 -2.55 115.31 122.04 2rdk h LEU 36 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rdk h LEU 36 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2rdk h LEU 36 CO 1.09 0.00 -0.01 -1.13 0.09 0.00 0.00 178.44 178.48 2rdk h ASN 37 N 0.00 0.00 0.50 -0.43 -1.24 -1.87 -1.88 115.58 110.66 2rdk h ASN 37 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2rdk h ASN 37 Cb 0.24 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2rdk h ASN 37 CO 0.00 0.01 -0.19 0.77 -1.29 0.00 0.00 177.43 176.74 2rdk h SER 38 N 0.00 0.00 0.00 1.15 4.64 -1.79 -0.74 113.55 116.81 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 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2rdk h SER 38 CO 0.00 0.19 0.00 1.33 -0.87 0.00 0.00 176.83 177.48 2rdk n VAL 39 N -3.66 0.00 -5.11 0.95 0.24 -0.79 -4.65 118.33 105.30 2rdk n VAL 39 Ca -0.01 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.34 61.94 2rdk n VAL 39 Cb 0.31 1.90 -0.16 0.00 -1.47 0.00 0.00 33.84 34.42 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 -0.00 1.84 0.18 1.34 1.01 -0.78 -3.59 121.20 121.21 2rdk s ILE 40 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.81 2rdk s ILE 40 Cb 0.00 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2rdk s ILE 40 CO 0.00 0.52 -0.15 -0.70 0.00 0.00 0.00 174.94 174.61 2rdk s GLU 41 N -0.05 1.87 -0.43 2.79 2.12 0.08 -2.01 118.70 123.07 2rdk s GLU 41 Ca -0.05 -1.35 -0.18 0.00 0.36 0.00 0.00 54.97 53.75 2rdk s GLU 41 Cb -0.13 -2.05 0.03 0.00 0.26 0.00 0.00 34.13 32.23 2rdk s GLU 41 CO 0.04 0.42 0.48 1.21 -0.54 0.00 0.00 175.26 176.87 2rdk s ASN 42 N -2.75 6.21 -0.45 -1.70 2.47 -1.26 -1.00 114.94 116.47 2rdk s ASN 42 Ca 0.23 -0.66 -0.08 0.00 0.42 0.00 0.00 52.86 52.77 2rdk s ASN 42 Cb -0.09 -2.24 0.11 0.00 -1.45 0.00 0.00 41.25 37.58 2rdk s ASN 42 CO 0.13 -0.63 0.30 -0.69 -3.72 0.00 0.00 177.10 172.49 2rdk s VAL 43 N 2.25 4.04 -1.57 -5.21 1.01 0.16 -4.68 120.40 116.40 2rdk s VAL 43 Ca 0.14 -1.75 -0.14 0.00 0.00 0.00 0.00 61.98 60.22 2rdk s VAL 43 Cb -0.17 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.68 2rdk s VAL 43 CO 0.14 -0.70 0.92 -0.67 0.00 0.00 0.00 175.10 174.79 2rdk n ASP 44 N 4.85 -4.23 0.00 3.32 2.03 -1.26 -1.82 116.55 119.44 2rdk n ASP 44 Ca -0.07 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.39 2rdk n ASP 44 Cb 0.41 -3.60 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 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 -1.62 0.30 3.42 0.27 0.00 -1.15 -4.56 105.19 101.85 2rdk n GLY 45 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.33 4.11 0.09 1.61 0.01 -0.76 -4.59 113.70 111.86 2rdk s SER 46 Ca 0.00 -0.26 -0.31 0.00 1.31 0.00 0.00 55.95 56.70 2rdk s SER 46 Cb 0.00 -1.38 -0.06 0.00 0.21 0.00 0.00 66.02 64.78 2rdk s SER 46 CO 0.00 0.23 1.22 -0.76 0.41 0.00 0.00 173.24 174.34 2rdk s LEU 47 N -0.02 4.39 0.03 2.44 1.43 -1.26 -0.66 118.68 125.02 2rdk s LEU 47 Ca -0.03 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2rdk s LEU 47 Cb -0.14 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 2rdk s LEU 47 CO 0.04 -0.47 -0.04 -0.54 0.23 0.00 0.00 176.35 175.57 2rdk s LYS 48 N 0.81 0.39 1.08 1.70 1.02 -0.17 -4.83 119.74 119.74 2rdk s LYS 48 Ca 0.58 -0.72 -0.18 0.00 0.02 0.00 0.00 55.97 55.68 2rdk s LYS 48 Cb -0.31 0.06 0.24 0.00 -0.52 0.00 0.00 37.83 37.30 2rdk s LYS 48 CO 0.31 -0.04 1.23 -1.58 -0.92 0.00 0.00 175.35 174.34 2rdk s TRP 49 N -1.78 1.03 -0.87 3.18 0.52 -1.26 -0.74 118.94 119.02 2rdk s TRP 49 Ca -0.12 0.38 0.00 0.00 0.02 0.00 0.00 56.10 56.38 2rdk s TRP 49 Cb -0.08 -3.83 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 2rdk s TRP 49 CO -0.02 -3.25 0.00 1.04 0.02 0.00 0.00 176.95 174.74 2rdk n GLN 50 N -4.24 -0.73 0.00 4.98 1.13 -1.24 -4.71 117.38 112.57 2rdk n GLN 50 Ca 0.15 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.77 2rdk n GLN 50 Cb 0.59 -4.56 0.00 0.00 0.11 0.00 0.00 30.24 26.38 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 -1.23 3.11 3.80 1.08 0.00 -1.26 -5.00 105.19 105.69 2rdk n GLY 51 Ca -0.11 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 2rdk n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rdk s SER 52 N 2.00 -0.12 -0.89 1.61 1.04 -1.24 -2.68 113.70 113.42 2rdk s SER 52 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2rdk s SER 52 Cb 0.00 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2rdk s SER 52 CO 0.00 -1.41 0.00 -3.20 0.98 0.00 0.00 173.24 169.61 2rdk n ASN 53 N -0.74 -3.48 -0.20 7.02 5.15 -0.28 -4.40 115.26 118.33 2rdk n ASN 53 Ca -0.05 0.03 0.16 0.00 -0.60 0.00 0.00 54.58 54.12 2rdk n ASN 53 Cb 0.60 -2.62 0.50 0.00 -0.53 0.00 0.00 39.78 37.73 2rdk n ASN 53 CO 0.00 0.00 0.00 2.19 1.40 0.00 0.00 177.26 180.85 2rdk h PHE 54 N 0.00 0.52 0.00 1.20 -5.15 -1.64 -2.30 116.94 109.58 2rdk h PHE 54 Ca -0.23 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.54 2rdk h PHE 54 Cb 1.10 -0.16 -0.00 0.00 0.22 0.00 0.00 35.95 37.11 2rdk h PHE 54 CO 0.27 0.18 -0.04 0.97 -2.00 0.00 0.00 178.31 177.68 2rdk h ILE 55 N 0.43 0.24 0.00 0.88 6.09 -1.85 -1.76 117.51 121.53 2rdk h ILE 55 Ca 0.41 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 63.57 2rdk h ILE 55 Cb 0.95 1.25 -0.00 0.00 0.47 0.00 0.00 36.82 39.49 2rdk h ILE 55 CO -0.14 0.04 -0.02 -0.08 -3.07 0.00 0.00 178.15 174.88 2rdk h GLU 56 N 0.00 0.00 0.00 2.19 4.57 -1.82 -3.25 114.58 116.27 2rdk h GLU 56 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2rdk h GLU 56 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2rdk h GLU 56 CO 0.01 0.02 -0.30 0.25 -1.18 0.00 0.00 179.01 177.81 2rdk n THR 57 N -4.37 0.69 -4.16 0.32 -2.24 -0.72 -5.06 114.28 98.74 2rdk n THR 57 Ca -0.03 -0.82 -0.14 0.00 -2.27 0.00 0.00 64.05 60.79 2rdk n THR 57 Cb 0.11 0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.76 1.61 -1.34 0.00 1.70 0.55 -4.76 118.95 113.95 2rdk s ARG 59 Ca 0.04 -1.61 -0.01 0.00 -0.47 0.00 0.00 55.73 53.68 2rdk s ARG 59 Cb -0.03 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 2rdk s ARG 59 CO -0.00 -0.63 0.69 0.09 -1.08 0.00 0.00 175.30 174.37 2rdk n ASN 60 N -0.84 -1.38 -4.77 -2.89 3.02 -1.26 -1.37 115.26 105.77 2rdk n ASN 60 Ca 0.01 -0.84 -0.39 0.00 -0.03 0.00 0.00 54.58 53.34 2rdk n ASN 60 Cb 0.63 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.84 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 -3.67 3.40 0.07 3.41 -4.23 -1.26 -4.38 115.64 108.98 2rdk s THR 61 Ca 0.06 1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 61.72 2rdk s THR 61 Cb -0.03 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.08 2rdk s THR 61 CO 0.82 0.19 0.25 -1.10 -0.54 0.00 0.00 174.62 174.24 2rdk s GLN 62 N -1.97 0.83 -0.18 3.99 -0.21 -0.07 -4.76 119.66 117.30 2rdk s GLN 62 Ca 0.52 -0.73 -0.22 0.00 0.02 0.00 0.00 55.36 54.94 2rdk s GLN 62 Cb -0.30 0.35 -0.02 0.00 1.00 0.00 0.00 33.01 34.04 2rdk s GLN 62 CO 0.38 -0.27 0.70 -1.17 -2.12 0.00 0.00 175.29 172.81 2rdk s LEU 63 N -2.47 4.17 -0.16 2.90 2.96 -1.26 -0.94 118.68 123.88 2rdk s LEU 63 Ca -0.00 0.97 -0.05 0.00 -0.22 0.00 0.00 54.13 54.83 2rdk s LEU 63 Cb 0.02 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 2rdk s LEU 63 CO -0.08 -0.30 0.01 0.00 -1.32 0.00 0.00 176.35 174.67 2rdk s ALA 64 N 1.87 3.19 0.00 5.97 0.00 0.43 -4.93 121.76 128.29 2rdk s ALA 64 Ca 0.32 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2rdk s ALA 64 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.25 2rdk s ALA 64 CO 0.12 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2rdk n GLY 65 N 3.47 2.45 0.11 0.00 0.00 -1.26 -1.74 105.19 108.22 2rdk n GLY 65 Ca -0.17 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.47 2rdk n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2rdk h SER 66 N 8.49 0.00 0.00 1.61 0.02 -2.00 -3.43 113.55 118.24 2rdk h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rdk h SER 66 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2rdk h SER 66 CO 0.00 0.49 0.00 -1.54 -1.14 0.00 0.00 176.83 174.64 2rdk n SER 67 N -2.93 0.00 -4.79 3.07 3.41 -1.23 -4.86 113.62 106.29 2rdk n SER 67 Ca -0.06 -1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 57.19 2rdk n SER 67 Cb 0.78 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 2rdk n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2rdk s GLU 68 N 0.00 3.92 -0.22 4.33 2.02 -0.71 -0.46 118.70 127.58 2rdk s GLU 68 Ca 0.00 -0.04 -0.20 0.00 0.02 0.00 0.00 54.97 54.74 2rdk s GLU 68 Cb 0.00 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 2rdk s GLU 68 CO 0.00 0.49 0.62 -1.17 0.02 0.00 0.00 175.26 175.23 2rdk s LEU 69 N -0.25 4.12 -0.04 1.80 2.96 -0.00 -0.43 118.68 126.83 2rdk s LEU 69 Ca 0.14 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 2rdk s LEU 69 Cb -0.12 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 2rdk s LEU 69 CO 0.03 -0.30 -0.08 0.00 -1.32 0.00 0.00 176.35 174.68 2rdk s ALA 70 N 2.09 2.94 0.26 5.97 0.00 -0.12 -1.13 121.76 131.78 2rdk s ALA 70 Ca 0.28 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 2rdk s ALA 70 Cb -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2rdk s ALA 70 CO 0.10 0.58 0.56 0.00 0.00 0.00 0.00 175.76 177.00 2rdk s ALA 71 N -0.85 -0.58 -0.23 0.00 0.00 -0.27 -0.89 121.76 118.93 2rdk s ALA 71 Ca 0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 2rdk s ALA 71 Cb -0.11 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2rdk s ALA 71 CO 0.03 -0.92 -0.03 -1.21 0.00 0.00 0.00 175.76 173.63 2rdk s GLU 72 N -3.97 3.37 0.04 0.00 2.02 -0.47 -1.36 118.70 118.33 2rdk s GLU 72 Ca 0.18 -0.63 0.07 0.00 0.02 0.00 0.00 54.97 54.62 2rdk s GLU 72 Cb -0.03 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 2rdk s GLU 72 CO 0.08 -0.22 -0.21 0.00 0.02 0.00 0.00 175.26 174.94 2rdk s LYS 74 N -1.17 4.55 1.12 0.00 1.02 -0.46 -0.84 119.74 123.95 2rdk s LYS 74 Ca 0.08 1.57 -0.18 0.00 0.02 0.00 0.00 55.97 57.46 2rdk s LYS 74 Cb -0.09 -3.39 0.26 0.00 -0.52 0.00 0.00 37.83 34.09 2rdk s LYS 74 CO 0.02 -0.06 1.21 0.95 -0.92 0.00 0.00 175.35 176.55 2rdk s THR 75 N 0.69 1.74 0.39 2.17 -4.23 -0.18 -2.92 115.64 113.31 2rdk s THR 75 Ca 0.53 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.17 2rdk s THR 75 Cb -0.25 -2.71 0.12 0.00 1.34 0.00 0.00 72.50 71.01 2rdk s THR 75 CO 0.30 0.00 1.88 0.03 -0.54 0.00 0.00 174.62 176.29 2rdk h ARG 76 N -2.25 0.02 0.00 3.99 3.08 -1.90 -0.27 114.38 117.05 2rdk h ARG 76 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2rdk h ARG 76 Cb 1.26 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2rdk h ARG 76 CO 0.33 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.55 2rdk n ALA 77 N -2.48 2.42 -2.42 0.04 0.00 -1.26 -4.88 120.51 111.93 2rdk n ALA 77 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2rdk n ALA 77 Cb 0.35 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.96 -1.69 -3.97 0.00 1.13 -0.11 -5.03 117.38 106.76 2rdk n GLN 78 Ca 0.17 0.51 -0.35 0.00 -1.94 0.00 0.00 57.00 55.39 2rdk n GLN 78 Cb 0.08 -4.56 -0.11 0.00 0.11 0.00 0.00 30.24 25.76 2rdk n GLN 78 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2rdk s GLN 79 N -4.83 3.77 0.18 -1.09 2.00 -1.26 -4.85 119.66 113.58 2rdk s GLN 79 Ca 0.08 -0.44 -0.30 0.00 -2.00 0.00 0.00 55.36 52.69 2rdk s GLN 79 Cb -0.03 -3.21 -0.08 0.00 0.80 0.00 0.00 33.01 30.48 2rdk s GLN 79 CO 0.09 0.05 1.31 -0.06 -0.50 0.00 0.00 175.29 176.19 2rdk s PHE 80 N 0.95 3.27 0.07 1.67 0.08 -1.26 -1.01 117.98 121.75 2rdk s PHE 80 Ca 0.03 1.19 0.04 0.00 0.12 0.00 0.00 56.93 58.31 2rdk s PHE 80 Cb -0.14 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.68 2rdk s PHE 80 CO 0.03 -1.91 -0.11 0.14 -0.10 0.00 0.00 175.22 173.27 2rdk s VAL 81 N 0.27 0.88 0.21 -0.44 -7.23 -0.02 -4.89 120.40 109.18 2rdk s VAL 81 Ca 0.58 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.15 2rdk s VAL 81 Cb -0.36 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 2rdk s VAL 81 CO 0.37 -0.35 1.20 -0.44 -0.31 0.00 0.00 175.10 175.57 2rdk s SER 82 N -1.84 7.07 0.01 4.85 0.01 -1.26 -1.14 113.70 121.40 2rdk s SER 82 Ca -0.03 2.30 -0.13 0.00 1.31 0.00 0.00 55.95 59.40 2rdk s SER 82 Cb -0.08 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.55 2rdk s SER 82 CO 0.01 -0.37 0.28 0.28 0.41 0.00 0.00 173.24 173.85 2rdk s THR 83 N -0.31 0.08 0.03 1.44 -1.32 -0.46 -4.94 115.64 110.15 2rdk s THR 83 Ca 0.52 -0.62 -0.01 0.00 -1.21 0.00 0.00 61.69 60.36 2rdk s THR 83 Cb -0.34 -0.75 -0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2rdk s THR 83 CO 0.39 -0.34 -0.02 -1.59 -2.21 0.00 0.00 174.62 170.84 2rdk s LYS 84 N -1.93 0.41 -0.03 7.08 -2.85 -1.26 -1.12 119.74 120.04 2rdk s LYS 84 Ca -0.10 -0.78 -0.02 0.00 -1.00 0.00 0.00 55.97 54.07 2rdk s LYS 84 Cb -0.03 0.14 0.01 0.00 -2.06 0.00 0.00 37.83 35.89 2rdk s LYS 84 CO 0.00 -0.07 0.07 -1.50 0.10 0.00 0.00 175.35 173.95 2rdk s ILE 85 N -2.19 -0.00 -0.44 3.79 2.07 -0.28 -4.71 121.20 119.43 2rdk s ILE 85 Ca -0.09 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 58.91 2rdk s ILE 85 Cb -0.05 -0.11 0.02 0.00 0.13 0.00 0.00 42.46 42.46 2rdk s ILE 85 CO -0.04 0.00 0.88 0.21 -1.91 0.00 0.00 174.94 174.09 2rdk s ASN 86 N 0.07 6.49 0.60 4.50 3.84 -1.26 -0.82 114.94 128.36 2rdk s ASN 86 Ca -0.00 0.11 0.38 0.00 0.21 0.00 0.00 52.86 53.55 2rdk s ASN 86 Cb -0.01 -2.43 1.87 0.00 -0.55 0.00 0.00 41.25 40.13 2rdk s ASN 86 CO -0.00 -0.98 2.18 -0.07 -2.79 0.00 0.00 177.10 175.44 2rdk h LEU 87 N 10.36 0.00 -1.84 3.21 3.38 -1.12 -1.69 115.31 127.60 2rdk h LEU 87 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 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 1.00 0.02 0.00 0.44 0.09 0.00 0.00 178.44 179.99 2rdk h ASP 88 N 0.00 0.00 -0.67 -0.43 3.32 -1.82 -0.06 116.42 116.76 2rdk h ASP 88 Ca -0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2rdk h ASP 88 Cb 0.26 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 2rdk h ASP 88 CO 0.00 0.00 0.38 0.44 -1.72 0.00 0.00 179.24 178.34 2rdk h ASP 89 N 0.00 0.58 0.00 6.45 3.32 -1.68 -0.16 116.42 124.93 2rdk h ASP 89 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2rdk h ASP 89 Cb 0.10 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2rdk h ASP 89 CO 0.00 0.38 -0.03 1.41 -1.72 0.00 0.00 179.24 179.28 2rdk n HIS 90 N -4.77 0.00 -3.34 4.55 8.25 -1.08 -4.76 115.22 114.07 2rdk n HIS 90 Ca 0.08 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.15 2rdk n HIS 90 Cb 0.16 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.35 5.14 0.25 1.59 -1.09 -0.06 -0.25 121.20 126.43 2rdk s ILE 91 Ca 0.00 0.68 0.09 0.00 -2.23 0.00 0.00 60.65 59.19 2rdk s ILE 91 Cb 0.00 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2rdk s ILE 91 CO 0.00 0.14 0.02 0.00 -1.23 0.00 0.00 174.94 173.87 2rdk s ALA 92 N 2.09 3.21 -0.36 9.38 0.00 0.09 -1.40 121.76 134.77 2rdk s ALA 92 Ca 0.17 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 2rdk s ALA 92 Cb -0.16 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2rdk s ALA 92 CO 0.09 0.30 0.20 0.00 0.00 0.00 0.00 175.76 176.35 2rdk s ALA 93 N -2.20 3.29 -0.35 0.00 0.00 -1.26 -1.19 121.76 120.04 2rdk s ALA 93 Ca 0.31 -1.64 -0.06 0.00 0.00 0.00 0.00 51.96 50.57 2rdk s ALA 93 Cb -0.07 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.55 2rdk s ALA 93 CO 0.20 -1.27 0.13 0.42 0.00 0.00 0.00 175.76 175.25 2rdk s ILE 94 N 1.57 3.80 -1.61 0.00 1.01 0.14 -4.59 121.20 121.53 2rdk s ILE 94 Ca 0.03 -1.23 -0.09 0.00 0.00 0.00 0.00 60.65 59.36 2rdk s ILE 94 Cb -0.19 -3.21 0.08 0.00 0.01 0.00 0.00 42.46 39.16 2rdk s ILE 94 CO 0.07 -0.25 0.42 -0.67 0.00 0.00 0.00 174.94 174.51 2rdk n ASP 95 N 4.81 -0.98 0.00 3.58 2.03 -1.26 -1.53 116.55 123.21 2rdk n ASP 95 Ca -0.11 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 54.07 2rdk n ASP 95 Cb 0.44 -2.30 0.00 0.00 -0.72 0.00 0.00 41.12 38.54 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 -1.85 0.63 3.18 0.27 0.00 -1.24 -4.56 105.19 101.62 2rdk n GLY 96 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.17 1.69 0.04 2.61 2.01 -0.58 -4.38 115.64 114.87 2rdk s THR 97 Ca 0.00 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 60.84 2rdk s THR 97 Cb 0.00 -1.45 -0.06 0.00 0.01 0.00 0.00 72.50 71.00 2rdk s THR 97 CO 0.00 0.48 1.28 -0.76 -0.69 0.00 0.00 174.62 174.93 2rdk s LEU 98 N 0.03 4.35 -0.03 4.42 1.43 -1.26 -0.69 118.68 126.93 2rdk s LEU 98 Ca -0.06 2.07 -0.05 0.00 -1.03 0.00 0.00 54.13 55.06 2rdk s LEU 98 Cb -0.13 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2rdk s LEU 98 CO 0.03 -0.58 0.13 -0.54 0.23 0.00 0.00 176.35 175.63 2rdk s LYS 99 N 1.52 0.26 0.22 1.70 -0.14 -0.33 -4.82 119.74 118.15 2rdk s LYS 99 Ca 0.61 -0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.90 2rdk s LYS 99 Cb -0.31 0.11 -0.09 0.00 -1.68 0.00 0.00 37.83 35.87 2rdk s LYS 99 CO 0.28 -0.05 1.17 -0.47 -0.76 0.00 0.00 175.35 175.52 2rdk s TYR 100 N -0.42 3.46 0.00 3.18 5.04 -1.26 -0.73 117.35 126.62 2rdk s TYR 100 Ca -0.05 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2rdk s TYR 100 Cb -0.03 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 38.89 2rdk s TYR 100 CO 0.01 -1.00 0.22 -1.91 -1.34 0.00 0.00 175.55 171.53