#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rk5 s SER 4 N 0.00 1.94 -0.04 1.08 0.01 -1.26 -1.35 113.70 114.07 2rk5 s SER 4 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2rk5 s SER 4 Cb 0.00 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.05 2rk5 s SER 4 CO 0.00 0.19 -0.02 -0.60 0.41 0.00 0.00 173.24 173.21 2rk5 s ARG 5 N -0.48 0.63 0.03 12.44 3.52 -0.42 -5.00 118.95 129.67 2rk5 s ARG 5 Ca 0.06 -0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.34 2rk5 s ARG 5 Cb -0.07 -0.75 -0.05 0.00 -1.56 0.00 0.00 34.95 32.53 2rk5 s ARG 5 CO -0.00 -0.13 1.11 -2.00 -0.81 0.00 0.00 175.30 173.47 2rk5 s GLU 6 N 1.12 4.48 -0.01 5.12 2.12 -1.26 -1.10 118.70 129.17 2rk5 s GLU 6 Ca -0.08 1.63 0.05 0.00 0.36 0.00 0.00 54.97 56.93 2rk5 s GLU 6 Cb -0.14 -3.40 -0.08 0.00 0.26 0.00 0.00 34.13 30.78 2rk5 s GLU 6 CO -0.01 -0.18 0.14 0.44 -0.54 0.00 0.00 175.26 175.10 2rk5 n ILE 7 N 3.93 0.00 -3.82 -3.70 -5.35 -0.11 -4.94 119.36 105.37 2rk5 n ILE 7 Ca 0.08 -0.17 -0.06 0.00 -0.27 0.00 0.00 62.75 62.33 2rk5 n ILE 7 Cb 0.48 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 2rk5 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rk5 s ALA 8 N -2.19 -1.26 0.19 -1.28 0.00 -1.14 -5.03 121.76 111.05 2rk5 s ALA 8 Ca -0.01 -0.33 -0.32 0.00 0.00 0.00 0.00 51.96 51.30 2rk5 s ALA 8 Cb 0.03 0.73 -0.11 0.00 0.00 0.00 0.00 23.12 23.77 2rk5 s ALA 8 CO 0.22 -1.03 1.73 -0.51 0.00 0.00 0.00 175.76 176.17 2rk5 s ASP 9 N -3.05 6.40 -1.62 0.00 1.01 -1.26 -1.73 116.67 116.42 2rk5 s ASP 9 Ca 0.14 2.83 0.00 0.00 0.71 0.00 0.00 52.55 56.23 2rk5 s ASP 9 Cb -0.04 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.30 2rk5 s ASP 9 CO 0.07 -0.97 0.00 0.59 0.21 0.00 0.00 175.17 175.07 2rk5 n ASN 10 N 4.33 -4.62 -3.96 0.27 5.03 -1.26 -4.95 115.26 110.10 2rk5 n ASN 10 Ca 0.16 0.27 -0.23 0.00 0.87 0.00 0.00 54.58 55.65 2rk5 n ASN 10 Cb 0.36 -4.04 -0.17 0.00 -1.02 0.00 0.00 39.78 34.91 2rk5 n ASN 10 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2rk5 s THR 11 N -2.59 0.89 0.05 3.41 2.01 -0.70 -0.94 115.64 117.76 2rk5 s THR 11 Ca 0.00 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.70 2rk5 s THR 11 Cb 0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2rk5 s THR 11 CO 0.00 0.30 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.84 2rk5 s TYR 12 N 0.85 0.72 -0.17 4.92 2.02 0.12 -0.94 117.35 124.86 2rk5 s TYR 12 Ca -0.12 -0.54 -0.04 0.00 -0.37 0.00 0.00 57.07 56.01 2rk5 s TYR 12 Cb -0.15 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 2rk5 s TYR 12 CO 0.01 -0.08 -0.03 0.42 -1.57 0.00 0.00 175.55 174.30 2rk5 s ILE 13 N -1.58 3.85 0.06 2.71 -1.09 -0.25 -0.43 121.20 124.46 2rk5 s ILE 13 Ca -0.08 -0.36 0.09 0.00 -2.23 0.00 0.00 60.65 58.08 2rk5 s ILE 13 Cb -0.09 -2.71 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 2rk5 s ILE 13 CO 0.00 0.47 -0.26 0.68 -1.23 0.00 0.00 174.94 174.60 2rk5 s VAL 14 N 0.62 2.22 0.23 2.92 -7.23 0.05 -1.30 120.40 117.92 2rk5 s VAL 14 Ca -0.02 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2rk5 s VAL 14 Cb -0.14 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.81 2rk5 s VAL 14 CO 0.02 0.31 1.31 -0.76 -0.31 0.00 0.00 175.10 175.67 2rk5 s LEU 15 N -1.41 4.42 0.54 1.32 1.43 -0.46 -0.89 118.68 123.64 2rk5 s LEU 15 Ca 0.12 2.46 0.21 0.00 -1.03 0.00 0.00 54.13 55.90 2rk5 s LEU 15 Cb -0.10 -3.62 1.44 0.00 0.03 0.00 0.00 46.19 43.94 2rk5 s LEU 15 CO 0.03 -0.52 2.15 1.23 0.23 0.00 0.00 176.35 179.47 2rk5 h GLY 16 N 4.92 0.00 1.71 -3.19 0.00 -0.98 -0.94 103.07 104.60 2rk5 h GLY 16 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2rk5 h GLY 16 CO 0.75 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.99 2rk5 n THR 17 N -4.30 0.11 -1.68 4.70 -2.24 -1.26 -1.73 114.28 107.89 2rk5 n THR 17 Ca -0.01 0.03 -0.46 0.00 -2.27 0.00 0.00 64.05 61.34 2rk5 n THR 17 Cb 0.17 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 2rk5 n THR 17 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2rk5 n MET 18 N -1.36 2.25 -1.61 -0.78 1.56 -0.36 -4.82 117.12 112.00 2rk5 n MET 18 Ca 0.11 0.81 -0.33 0.00 -0.27 0.00 0.00 57.70 58.02 2rk5 n MET 18 Cb 0.25 -2.61 0.06 0.00 2.15 0.00 0.00 33.22 33.08 2rk5 n MET 18 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2rk5 s THR 19 N 1.50 3.07 0.34 1.12 -4.23 -1.26 -1.00 115.64 115.17 2rk5 s THR 19 Ca 0.81 0.47 0.04 0.00 -1.18 0.00 0.00 61.69 61.83 2rk5 s THR 19 Cb -0.65 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.37 2rk5 s THR 19 CO 0.39 -0.33 1.88 -0.07 -0.54 0.00 0.00 174.62 175.96 2rk5 h LEU 20 N -0.23 0.50 -0.50 4.79 3.38 -1.29 -0.00 115.31 121.96 2rk5 h LEU 20 Ca -0.46 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 2rk5 h LEU 20 Cb 1.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2rk5 h LEU 20 CO 0.53 0.56 0.17 0.78 0.09 0.00 0.00 178.44 180.57 2rk5 h ASN 21 N 0.52 0.72 -0.45 -0.43 2.35 -1.91 0.10 115.58 116.47 2rk5 h ASN 21 Ca 0.11 -0.19 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 2rk5 h ASN 21 Cb 0.31 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2rk5 h ASN 21 CO 0.01 0.72 -0.08 0.44 -1.65 0.00 0.00 177.43 176.87 2rk5 h ASP 22 N 0.68 0.85 -0.20 5.81 5.19 -1.82 -1.88 116.42 125.05 2rk5 h ASP 22 Ca 0.16 -0.35 0.03 0.00 -0.62 0.00 0.00 57.03 56.26 2rk5 h ASP 22 Cb 0.25 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 2rk5 h ASP 22 CO -0.01 1.00 -0.00 0.15 -3.12 0.00 0.00 179.24 177.26 2rk5 h PHE 23 N 0.69 -0.01 -0.59 4.55 3.57 -0.81 -1.36 116.94 122.98 2rk5 h PHE 23 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2rk5 h PHE 23 Cb 0.61 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 2rk5 h PHE 23 CO 0.05 -0.03 0.22 -0.91 -2.23 0.00 0.00 178.31 175.40 2rk5 h ASN 24 N 0.06 0.80 -0.42 0.41 2.35 -0.71 -0.13 115.58 117.95 2rk5 h ASN 24 Ca 0.09 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2rk5 h ASN 24 Cb 0.12 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2rk5 h ASN 24 CO -0.16 0.74 0.05 -0.08 -1.65 0.00 0.00 177.43 176.32 2rk5 h GLU 25 N 0.86 0.71 -0.25 0.81 4.81 -1.04 0.93 114.58 121.39 2rk5 h GLU 25 Ca 0.20 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2rk5 h GLU 25 Cb 0.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2rk5 h GLU 25 CO -0.01 0.76 -0.05 -0.92 -0.73 0.00 0.00 179.01 178.06 2rk5 h TYR 26 N 0.55 0.54 -0.02 0.92 3.20 -0.75 -3.25 116.97 118.16 2rk5 h TYR 26 Ca 0.12 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2rk5 h TYR 26 Cb 0.41 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2rk5 h TYR 26 CO 0.03 0.68 -0.16 1.19 -1.64 0.00 0.00 178.16 178.26 2rk5 n PHE 27 N -4.57 0.00 -3.46 -3.82 3.72 -0.11 -4.96 117.46 104.26 2rk5 n PHE 27 Ca -0.04 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.16 2rk5 n PHE 27 Cb 0.29 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.88 2rk5 n PHE 27 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2rk5 n GLU 28 N 0.34 -7.03 -4.53 -1.08 1.02 0.23 -5.02 120.64 104.58 2rk5 n GLU 28 Ca 0.14 0.79 -0.30 0.00 -0.02 0.00 0.00 57.16 57.76 2rk5 n GLU 28 Cb 0.46 -5.68 -0.06 0.00 -0.02 0.00 0.00 31.44 26.14 2rk5 n GLU 28 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2rk5 n THR 29 N -4.51 0.00 -2.72 2.62 -2.24 -0.66 -4.72 114.28 102.05 2rk5 n THR 29 Ca -0.10 -2.29 -0.06 0.00 -2.27 0.00 0.00 64.05 59.34 2rk5 n THR 29 Cb 0.60 0.49 0.04 0.00 -2.10 0.00 0.00 70.33 69.36 2rk5 n THR 29 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rk5 n ASP 30 N -1.32 1.67 -4.77 3.42 5.75 -1.26 -4.64 116.55 115.41 2rk5 n ASP 30 Ca -0.19 -2.46 -0.40 0.00 -0.01 0.00 0.00 54.79 51.73 2rk5 n ASP 30 Cb 0.61 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 2rk5 n ASP 30 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2rk5 s LEU 31 N -3.44 4.42 -0.01 -2.12 1.43 -1.26 -5.02 118.68 112.67 2rk5 s LEU 31 Ca 0.28 2.64 -0.24 0.00 -1.03 0.00 0.00 54.13 55.79 2rk5 s LEU 31 Cb 0.40 -3.68 0.05 0.00 0.03 0.00 0.00 46.19 42.99 2rk5 s LEU 31 CO -0.00 -0.53 0.52 -1.83 0.23 0.00 0.00 176.35 174.74 2rk5 s GLU 32 N -1.81 0.94 -0.09 1.70 -1.05 -1.26 -4.94 118.70 112.19 2rk5 s GLU 32 Ca 0.49 -0.03 -0.23 0.00 -0.15 0.00 0.00 54.97 55.05 2rk5 s GLU 32 Cb -0.39 0.43 0.05 0.00 -0.44 0.00 0.00 34.13 33.79 2rk5 s GLU 32 CO 0.51 -0.30 0.54 0.45 0.95 0.00 0.00 175.26 177.41 2rk5 s SER 33 N -1.49 -0.50 0.32 0.83 0.15 -1.26 -5.12 113.70 106.63 2rk5 s SER 33 Ca -0.10 0.66 -0.29 0.00 0.70 0.00 0.00 55.95 56.92 2rk5 s SER 33 Cb -0.02 0.66 -0.11 0.00 -1.71 0.00 0.00 66.02 64.84 2rk5 s SER 33 CO 0.05 -0.44 1.56 -1.81 1.20 0.00 0.00 173.24 173.80 2rk5 s ASP 34 N -0.78 6.36 -1.58 5.45 1.01 -1.26 -2.75 116.67 123.12 2rk5 s ASP 34 Ca -0.08 2.99 0.00 0.00 0.71 0.00 0.00 52.55 56.16 2rk5 s ASP 34 Cb -0.03 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2rk5 s ASP 34 CO 0.06 -0.91 0.00 -3.20 0.21 0.00 0.00 175.17 171.33 2rk5 n ASN 35 N 1.65 -5.15 -4.13 0.27 5.15 -1.26 -4.99 115.26 106.79 2rk5 n ASN 35 Ca 0.06 0.07 -0.25 0.00 -0.60 0.00 0.00 54.58 53.86 2rk5 n ASN 35 Cb 0.38 -4.23 -0.16 0.00 -0.53 0.00 0.00 39.78 35.24 2rk5 n ASN 35 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2rk5 s VAL 36 N -2.84 1.37 -0.02 3.44 1.01 -1.11 -5.03 120.40 117.23 2rk5 s VAL 36 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2rk5 s VAL 36 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 2rk5 s VAL 36 CO 0.00 0.40 0.05 0.47 0.00 0.00 0.00 175.10 176.01 2rk5 n ASP 37 N 3.05 4.05 -4.45 3.32 8.00 -1.26 -4.74 116.55 124.52 2rk5 n ASP 37 Ca -0.17 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 2rk5 n ASP 37 Cb 0.53 0.86 -0.10 0.00 -0.02 0.00 0.00 41.12 42.39 2rk5 n ASP 37 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2rk5 s THR 38 N -2.18 1.75 0.29 -3.53 -4.23 -1.26 -0.90 115.64 105.57 2rk5 s THR 38 Ca -0.02 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.34 2rk5 s THR 38 Cb 0.02 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.57 2rk5 s THR 38 CO 0.16 -0.28 1.89 -0.29 -0.54 0.00 0.00 174.62 175.57 2rk5 h ILE 39 N 2.23 1.22 -0.72 2.99 6.09 -1.14 -0.54 117.51 127.64 2rk5 h ILE 39 Ca -0.40 -0.61 -0.01 0.00 -1.37 0.00 0.00 64.86 62.47 2rk5 h ILE 39 Cb 1.24 0.35 -0.03 0.00 0.47 0.00 0.00 36.82 38.84 2rk5 h ILE 39 CO 0.68 0.26 0.40 0.00 -3.07 0.00 0.00 178.15 176.42 2rk5 h ALA 40 N 1.40 0.92 -0.54 0.18 0.00 -1.59 -0.10 119.26 119.53 2rk5 h ALA 40 Ca 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2rk5 h ALA 40 Cb 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2rk5 h ALA 40 CO -0.03 0.43 0.31 0.78 0.00 0.00 0.00 179.25 180.73 2rk5 h GLY 41 N 0.99 0.79 0.97 0.00 0.00 -1.64 0.11 103.07 104.31 2rk5 h GLY 41 Ca 0.25 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2rk5 h GLY 41 CO -0.04 0.33 0.19 -2.75 0.00 0.00 0.00 176.54 174.27 2rk5 h PHE 42 N 0.72 0.43 -0.20 5.60 3.57 -0.78 -1.40 116.94 124.88 2rk5 h PHE 42 Ca 0.19 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2rk5 h PHE 42 Cb 0.02 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2rk5 h PHE 42 CO -0.02 0.32 0.07 -0.92 -2.23 0.00 0.00 178.31 175.53 2rk5 h TYR 43 N 0.41 0.32 -0.59 0.41 3.20 -0.79 -1.27 116.97 118.66 2rk5 h TYR 43 Ca 0.12 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2rk5 h TYR 43 Cb 0.02 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2rk5 h TYR 43 CO -0.04 0.39 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.78 2rk5 h LEU 44 N 0.15 1.03 -1.09 2.82 3.38 -0.71 -0.18 115.31 120.72 2rk5 h LEU 44 Ca 0.06 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2rk5 h LEU 44 Cb 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2rk5 h LEU 44 CO -0.00 1.09 -0.34 0.71 0.09 0.00 0.00 178.44 179.99 2rk5 h THR 45 N 0.96 1.27 -0.19 0.22 1.35 -1.23 0.12 112.91 115.40 2rk5 h THR 45 Ca 0.17 -1.32 -0.11 0.00 -0.55 0.00 0.00 66.41 64.60 2rk5 h THR 45 Cb 0.57 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2rk5 h THR 45 CO 0.03 0.39 -0.30 1.23 -0.25 0.00 0.00 175.52 176.63 2rk5 h GLY 46 N 1.10 0.59 1.70 5.82 0.00 -0.57 -3.33 103.07 108.37 2rk5 h GLY 46 Ca 0.02 -0.66 -0.24 0.00 0.00 0.00 0.00 47.33 46.45 2rk5 h GLY 46 CO 0.05 0.60 -1.21 -0.39 0.00 0.00 0.00 176.54 175.59 2rk5 h VAL 47 N 0.20 1.49 -0.61 4.60 -1.51 -1.03 -3.49 116.25 115.89 2rk5 h VAL 47 Ca 0.02 -3.19 -0.12 0.00 -1.23 0.00 0.00 66.70 62.18 2rk5 h VAL 47 Cb 0.88 2.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.81 2rk5 h VAL 47 CO 0.07 0.87 -0.14 0.61 -1.23 0.00 0.00 177.57 177.76 2rk5 n GLY 48 N 1.45 0.43 3.48 5.19 0.00 0.40 -5.00 105.19 111.15 2rk5 n GLY 48 Ca -0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2rk5 n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rk5 s THR 49 N -2.27 -0.00 -0.45 2.61 -4.23 -1.26 -5.08 115.64 104.96 2rk5 s THR 49 Ca 0.00 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 2rk5 s THR 49 Cb 0.00 -0.82 0.01 0.00 1.34 0.00 0.00 72.50 73.03 2rk5 s THR 49 CO 0.00 0.00 1.43 -0.63 -0.54 0.00 0.00 174.62 174.88 2rk5 s ILE 50 N 0.61 3.86 1.11 2.99 -1.09 -1.26 -4.96 121.20 122.46 2rk5 s ILE 50 Ca -0.02 0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 59.07 2rk5 s ILE 50 Cb -0.05 -4.24 0.25 0.00 -1.58 0.00 0.00 42.46 36.83 2rk5 s ILE 50 CO -0.04 -0.85 1.13 -2.16 -1.23 0.00 0.00 174.94 171.80 2rk5 s PRO 51 N 5.12 -0.50 0.30 2.79 0.04 -1.26 -5.08 135.00 136.40 2rk5 s PRO 51 Ca 0.60 0.04 0.03 0.00 0.04 0.00 0.00 61.00 61.71 2rk5 s PRO 51 Cb -0.13 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2rk5 s PRO 51 CO 0.31 -3.25 0.17 -1.54 0.04 0.00 0.00 177.00 172.73 2rk5 s SER 52 N -3.92 1.40 0.33 6.66 1.04 -0.83 -4.96 113.70 113.42 2rk5 s SER 52 Ca 0.69 -1.57 0.02 0.00 0.48 0.00 0.00 55.95 55.57 2rk5 s SER 52 Cb -0.11 0.41 0.58 0.00 0.10 0.00 0.00 66.02 67.00 2rk5 s SER 52 CO 0.56 -0.91 1.95 -0.61 0.98 0.00 0.00 173.24 175.21 2rk5 h GLN 53 N 2.25 0.80 -0.09 4.02 4.15 -1.95 -2.00 115.11 122.29 2rk5 h GLN 53 Ca -0.33 -0.09 -0.14 0.00 0.77 0.00 0.00 58.65 58.87 2rk5 h GLN 53 Cb 1.25 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2rk5 h GLN 53 CO 0.50 0.60 -0.56 0.93 -1.93 0.00 0.00 178.83 178.37 2rk5 h GLU 54 N 0.80 0.26 -2.25 1.69 3.07 -2.01 -3.35 114.58 112.78 2rk5 h GLU 54 Ca 0.20 -0.16 -0.59 0.00 -0.50 0.00 0.00 59.36 58.31 2rk5 h GLU 54 Cb 0.04 0.02 -0.40 0.00 -0.84 0.00 0.00 28.75 27.57 2rk5 h GLU 54 CO -0.03 0.75 -0.82 0.39 -1.40 0.00 0.00 179.01 177.89 2rk5 n GLU 55 N -3.91 1.52 -1.79 2.33 1.02 -0.92 -5.10 120.64 113.79 2rk5 n GLU 55 Ca -0.02 -3.96 -0.34 0.00 -0.02 0.00 0.00 57.16 52.83 2rk5 n GLU 55 Cb 0.59 -1.82 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 2rk5 n GLU 55 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2rk5 s LYS 56 N -1.60 2.79 -0.06 3.49 1.02 -0.80 -1.96 119.74 122.63 2rk5 s LYS 56 Ca 0.35 1.49 0.04 0.00 0.02 0.00 0.00 55.97 57.87 2rk5 s LYS 56 Cb 0.12 -1.94 -0.00 0.00 -0.52 0.00 0.00 37.83 35.49 2rk5 s LYS 56 CO -0.09 -1.27 -0.19 -1.21 -0.92 0.00 0.00 175.35 171.67 2rk5 s GLU 57 N -3.93 2.19 -0.10 1.68 0.41 -1.26 -4.93 118.70 112.75 2rk5 s GLU 57 Ca 0.69 -0.69 -0.01 0.00 -0.41 0.00 0.00 54.97 54.55 2rk5 s GLU 57 Cb -0.22 -1.80 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 2rk5 s GLU 57 CO 0.40 0.22 -0.05 -1.01 -0.49 0.00 0.00 175.26 174.33 2rk5 s HIS 58 N 0.17 3.01 -0.08 1.61 3.76 -1.26 -3.56 115.29 118.94 2rk5 s HIS 58 Ca -0.09 -0.07 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 2rk5 s HIS 58 Cb -0.14 -1.82 0.02 0.00 1.11 0.00 0.00 32.58 31.75 2rk5 s HIS 58 CO 0.04 0.22 -0.08 0.12 -0.85 0.00 0.00 174.74 174.19 2rk5 s PHE 59 N -0.39 1.24 -0.12 1.40 5.36 0.02 -4.97 117.98 120.52 2rk5 s PHE 59 Ca 0.06 -0.50 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 2rk5 s PHE 59 Cb -0.12 -1.02 -0.02 0.00 -0.34 0.00 0.00 43.02 41.52 2rk5 s PHE 59 CO 0.02 -0.35 -0.13 -1.21 -1.46 0.00 0.00 175.22 172.09 2rk5 s GLU 60 N 1.23 3.23 0.06 10.12 2.02 -1.26 -0.47 118.70 133.63 2rk5 s GLU 60 Ca -0.05 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.27 2rk5 s GLU 60 Cb -0.14 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 2rk5 s GLU 60 CO -0.02 0.30 -0.05 0.14 0.02 0.00 0.00 175.26 175.64 2rk5 s VAL 61 N 0.14 0.43 -0.09 2.63 -7.23 -0.34 -5.00 120.40 110.94 2rk5 s VAL 61 Ca -0.06 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2rk5 s VAL 61 Cb -0.15 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2rk5 s VAL 61 CO 0.05 -0.82 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.14 2rk5 s GLU 62 N -3.32 2.94 -0.18 4.82 2.12 -1.26 -0.55 118.70 123.27 2rk5 s GLU 62 Ca 0.04 -0.77 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 2rk5 s GLU 62 Cb 0.03 -2.41 0.07 0.00 0.26 0.00 0.00 34.13 32.07 2rk5 s GLU 62 CO -0.06 0.34 0.42 0.45 -0.54 0.00 0.00 175.26 175.87 2rk5 s SER 63 N -0.01 -0.43 -1.49 -1.70 0.15 0.61 -4.91 113.70 105.91 2rk5 s SER 63 Ca -0.06 0.94 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 2rk5 s SER 63 Cb -0.15 0.98 0.07 0.00 -1.71 0.00 0.00 66.02 65.21 2rk5 s SER 63 CO 0.05 -0.21 0.93 0.59 1.20 0.00 0.00 173.24 175.79 2rk5 n ASN 64 N 4.64 -5.04 0.00 5.45 3.02 -1.26 -0.57 115.26 121.50 2rk5 n ASN 64 Ca -0.18 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 2rk5 n ASN 64 Cb 0.53 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2rk5 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rk5 n GLY 65 N -1.66 0.75 3.87 7.41 0.00 -1.26 -5.00 105.19 109.29 2rk5 n GLY 65 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2rk5 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rk5 s LYS 66 N -0.23 3.61 -0.25 1.61 3.01 0.27 -5.04 119.74 122.72 2rk5 s LYS 66 Ca 0.00 0.05 -0.08 0.00 -1.01 0.00 0.00 55.97 54.93 2rk5 s LYS 66 Cb 0.00 -3.18 -0.03 0.00 -1.01 0.00 0.00 37.83 33.60 2rk5 s LYS 66 CO 0.00 0.73 0.10 -1.01 0.51 0.00 0.00 175.35 175.68 2rk5 s HIS 67 N -1.09 3.13 -0.09 3.18 3.76 -1.26 -0.29 115.29 122.64 2rk5 s HIS 67 Ca 0.20 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2rk5 s HIS 67 Cb -0.14 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 2rk5 s HIS 67 CO 0.09 -0.26 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.12 2rk5 s LEU 68 N 1.51 3.03 -0.18 0.89 1.43 0.28 0.14 118.68 125.78 2rk5 s LEU 68 Ca 0.06 -0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2rk5 s LEU 68 Cb -0.15 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2rk5 s LEU 68 CO 0.05 0.30 -0.12 -0.70 0.23 0.00 0.00 176.35 176.11 2rk5 s GLU 69 N -0.46 3.23 -0.15 1.70 2.12 -0.17 -1.20 118.70 123.77 2rk5 s GLU 69 Ca 0.06 -0.72 -0.04 0.00 0.36 0.00 0.00 54.97 54.64 2rk5 s GLU 69 Cb -0.12 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 2rk5 s GLU 69 CO 0.02 -0.10 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.09 2rk5 s LEU 70 N 1.14 3.24 -0.01 2.70 1.02 0.38 -1.27 118.68 125.88 2rk5 s LEU 70 Ca 0.01 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.04 2rk5 s LEU 70 Cb -0.14 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.29 2rk5 s LEU 70 CO -0.04 0.17 -0.04 -0.63 0.02 0.00 0.00 176.35 175.83 2rk5 s ILE 71 N 0.34 0.39 0.27 -0.59 1.01 -0.46 -0.80 121.20 121.36 2rk5 s ILE 71 Ca -0.04 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 2rk5 s ILE 71 Cb -0.14 -0.36 -0.11 0.00 0.01 0.00 0.00 42.46 41.86 2rk5 s ILE 71 CO 0.03 0.13 1.52 0.54 0.00 0.00 0.00 174.94 177.16 2rk5 s ASN 72 N 0.14 6.50 -0.10 3.58 4.22 -1.23 -0.64 114.94 127.42 2rk5 s ASN 72 Ca -0.01 2.82 0.09 0.00 -2.14 0.00 0.00 52.86 53.62 2rk5 s ASN 72 Cb -0.05 -2.63 -0.12 0.00 1.28 0.00 0.00 41.25 39.73 2rk5 s ASN 72 CO -0.00 -0.81 0.03 -0.67 -2.04 0.00 0.00 177.10 173.61 2rk5 n ASP 73 N 2.22 2.52 -3.73 3.54 2.03 0.06 -4.73 116.55 118.46 2rk5 n ASP 73 Ca 0.07 -0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.26 2rk5 n ASP 73 Cb 0.39 0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 41.43 2rk5 n ASP 73 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2rk5 s LYS 74 N -2.24 0.41 -0.02 -0.67 2.47 -0.87 -4.93 119.74 113.88 2rk5 s LYS 74 Ca -0.05 0.59 0.04 0.00 -1.56 0.00 0.00 55.97 54.99 2rk5 s LYS 74 Cb 0.03 0.13 -0.01 0.00 -1.46 0.00 0.00 37.83 36.52 2rk5 s LYS 74 CO 0.41 -0.09 -0.14 0.08 0.16 0.00 0.00 175.35 175.77 2rk5 s VAL 75 N 0.59 1.17 -0.04 4.02 1.01 -1.26 -1.03 120.40 124.86 2rk5 s VAL 75 Ca -0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 2rk5 s VAL 75 Cb -0.05 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.37 2rk5 s VAL 75 CO -0.04 0.34 0.05 -0.54 0.00 0.00 0.00 175.10 174.92 2rk5 s LYS 76 N -0.18 -0.05 -1.58 2.72 1.02 0.21 -4.90 119.74 116.98 2rk5 s LYS 76 Ca 0.02 0.35 -0.15 0.00 0.02 0.00 0.00 55.97 56.21 2rk5 s LYS 76 Cb -0.07 -0.50 0.11 0.00 -0.52 0.00 0.00 37.83 36.84 2rk5 s LYS 76 CO 0.00 -0.31 0.90 -3.47 -0.92 0.00 0.00 175.35 171.55 2rk5 n ASP 77 N 5.17 -4.07 0.00 2.83 2.03 -1.26 0.15 116.55 121.39 2rk5 n ASP 77 Ca -0.06 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.39 2rk5 n ASP 77 Cb 0.50 -3.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.41 2rk5 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2rk5 n GLY 78 N -1.60 0.76 3.52 0.27 0.00 -1.26 -5.01 105.19 101.87 2rk5 n GLY 78 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2rk5 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rk5 s ARG 79 N -0.12 3.74 -0.34 1.61 0.52 0.12 -4.96 118.95 119.53 2rk5 s ARG 79 Ca 0.00 -0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 2rk5 s ARG 79 Cb 0.00 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.45 2rk5 s ARG 79 CO 0.00 0.20 1.28 0.08 0.02 0.00 0.00 175.30 176.88 2rk5 s VAL 80 N 0.49 4.15 -0.06 3.52 1.01 -1.26 -0.62 120.40 127.63 2rk5 s VAL 80 Ca -0.01 1.27 0.22 0.00 0.00 0.00 0.00 61.98 63.45 2rk5 s VAL 80 Cb -0.14 -4.23 -0.30 0.00 0.00 0.00 0.00 36.38 31.71 2rk5 s VAL 80 CO 0.02 -0.57 0.51 0.35 0.00 0.00 0.00 175.10 175.41 2rk5 n THR 81 N 6.37 0.17 -3.85 3.92 -2.24 -0.19 -4.43 114.28 114.03 2rk5 n THR 81 Ca 0.14 -0.53 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 2rk5 n THR 81 Cb 0.47 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 2rk5 n THR 81 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2rk5 s LYS 82 N -3.43 0.04 0.04 -0.78 1.02 -1.11 -0.45 119.74 115.07 2rk5 s LYS 82 Ca -0.07 0.07 0.08 0.00 0.02 0.00 0.00 55.97 56.06 2rk5 s LYS 82 Cb 0.13 0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2rk5 s LYS 82 CO 0.89 -0.02 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.57 2rk5 s LEU 83 N 0.11 2.17 -0.10 3.17 1.43 -0.07 -0.76 118.68 124.63 2rk5 s LEU 83 Ca -0.01 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.38 2rk5 s LEU 83 Cb -0.01 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 2rk5 s LEU 83 CO -0.00 0.19 0.45 -0.75 0.23 0.00 0.00 176.35 176.47 2rk5 s LYS 84 N -1.19 4.27 -0.15 1.70 2.20 0.19 -0.77 119.74 125.99 2rk5 s LYS 84 Ca 0.09 0.42 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 2rk5 s LYS 84 Cb -0.09 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2rk5 s LYS 84 CO 0.02 0.26 -0.21 0.42 -0.36 0.00 0.00 175.35 175.48 2rk5 s ILE 85 N 0.29 2.01 -0.17 5.43 -1.09 0.42 -1.36 121.20 126.74 2rk5 s ILE 85 Ca 0.25 -0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 57.71 2rk5 s ILE 85 Cb -0.15 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.92 2rk5 s ILE 85 CO 0.10 0.54 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.52 2rk5 s LEU 86 N 0.98 2.95 -0.15 2.97 2.01 -0.40 -0.71 118.68 126.34 2rk5 s LEU 86 Ca -0.03 -0.28 -0.05 0.00 0.01 0.00 0.00 54.13 53.77 2rk5 s LEU 86 Cb -0.15 -1.71 -0.04 0.00 0.01 0.00 0.00 46.19 44.31 2rk5 s LEU 86 CO -0.05 0.11 0.03 -0.69 1.01 0.00 0.00 176.35 176.75 2rk5 s VAL 87 N 0.73 4.52 0.00 -1.59 1.01 -0.12 -1.00 120.40 123.95 2rk5 s VAL 87 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2rk5 s VAL 87 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2rk5 s VAL 87 CO 0.02 0.52 0.00 -1.20 0.00 0.00 0.00 175.10 174.44