#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpu s SER 2 N 0.00 7.24 0.22 6.43 0.01 -1.26 -4.94 113.70 121.40 2kpu s SER 2 Ca 0.00 1.99 -0.08 0.00 1.31 0.00 0.00 55.95 59.17 2kpu s SER 2 Cb 0.00 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.82 2kpu s SER 2 CO 0.00 -0.29 1.82 1.56 0.41 0.00 0.00 173.24 176.74 2kpu h GLN 3 N 5.87 1.21 -4.59 12.44 1.08 -2.10 -3.35 115.11 125.68 2kpu h GLN 3 Ca -0.43 -0.17 -0.70 0.00 -1.45 0.00 0.00 58.65 55.90 2kpu h GLN 3 Cb 1.21 -0.22 -0.28 0.00 -0.05 0.00 0.00 27.48 28.14 2kpu h GLN 3 CO 0.75 0.92 -0.55 0.99 -0.95 0.00 0.00 178.83 179.99 2kpu s THR 4 N -5.73 3.99 0.09 -0.54 2.01 -1.26 -5.09 115.64 109.10 2kpu s THR 4 Ca -0.13 -1.22 -0.06 0.00 0.31 0.00 0.00 61.69 60.59 2kpu s THR 4 Cb 0.16 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2kpu s THR 4 CO 0.83 -0.31 0.35 -0.22 -0.69 0.00 0.00 174.62 174.58 2kpu s LEU 5 N 1.41 4.32 0.00 4.42 2.96 -1.26 -4.98 118.68 125.55 2kpu s LEU 5 Ca 0.01 0.61 0.29 0.00 -0.22 0.00 0.00 54.13 54.81 2kpu s LEU 5 Cb -0.21 -3.05 1.48 0.00 0.50 0.00 0.00 46.19 44.91 2kpu s LEU 5 CO 0.03 0.14 2.00 0.47 -1.32 0.00 0.00 176.35 177.66 2kpu n ASP 6 N 0.55 0.00 0.00 3.68 9.92 -1.26 -4.11 116.55 125.33 2kpu n ASP 6 Ca -0.06 -0.23 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 2kpu n ASP 6 Cb 0.52 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 2kpu n ASP 6 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kpu n ARG 7 N -1.25 0.00 -2.19 -1.24 1.74 -1.26 -4.73 116.66 107.74 2kpu n ARG 7 Ca 0.15 0.20 -0.43 0.00 -0.77 0.00 0.00 57.85 57.00 2kpu n ARG 7 Cb 0.21 -0.93 -0.02 0.00 -1.02 0.00 0.00 32.46 30.69 2kpu n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kpu s ASP 8 N -1.89 6.57 -0.22 0.55 1.11 -1.26 -4.86 116.67 116.67 2kpu s ASP 8 Ca 0.00 1.69 -0.29 0.00 0.18 0.00 0.00 52.55 54.13 2kpu s ASP 8 Cb 0.00 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 2kpu s ASP 8 CO 0.00 -1.09 1.26 -2.84 1.18 0.00 0.00 175.17 173.68 2kpu s PRO 9 N 4.29 4.13 -0.88 8.23 0.02 -1.26 -4.87 135.00 144.66 2kpu s PRO 9 Ca 0.67 1.50 -0.20 0.00 0.02 0.00 0.00 61.00 62.98 2kpu s PRO 9 Cb -0.25 -3.79 0.11 0.00 0.02 0.00 0.00 34.50 30.58 2kpu s PRO 9 CO 0.26 -0.84 1.13 0.99 -0.33 0.00 0.00 177.00 178.21 2kpu s THR 10 N 3.77 4.53 -0.18 0.99 2.01 -1.26 -2.43 115.64 123.07 2kpu s THR 10 Ca 0.54 -1.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.10 2kpu s THR 10 Cb -0.19 -4.79 -0.01 0.00 0.01 0.00 0.00 72.50 67.51 2kpu s THR 10 CO 0.17 -1.55 0.85 -0.22 -0.69 0.00 0.00 174.62 173.17 2kpu s LEU 11 N 3.30 4.16 -0.29 4.42 2.96 0.71 -4.84 118.68 129.11 2kpu s LEU 11 Ca 0.32 1.18 -0.10 0.00 -0.22 0.00 0.00 54.13 55.32 2kpu s LEU 11 Cb -0.07 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 2kpu s LEU 11 CO -0.05 -0.43 0.15 -0.89 -1.32 0.00 0.00 176.35 173.81 2kpu s THR 12 N 2.29 4.77 0.00 3.68 2.01 -1.26 -0.30 115.64 126.83 2kpu s THR 12 Ca 0.39 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 62.30 2kpu s THR 12 Cb -0.16 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 2kpu s THR 12 CO 0.12 0.19 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.22 2kpu s LEU 13 N 1.66 2.09 0.17 4.42 1.43 0.61 -4.95 118.68 124.12 2kpu s LEU 13 Ca 0.06 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 2kpu s LEU 13 Cb -0.16 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.67 2kpu s LEU 13 CO 0.07 0.30 1.13 -0.55 0.23 0.00 0.00 176.35 177.52 2kpu s SER 14 N -0.83 7.22 0.05 2.29 0.15 -1.26 0.12 113.70 121.43 2kpu s SER 14 Ca 0.10 2.11 -0.30 0.00 0.70 0.00 0.00 55.95 58.57 2kpu s SER 14 Cb -0.10 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 2kpu s SER 14 CO 0.00 -0.27 0.98 -0.22 1.20 0.00 0.00 173.24 174.93 2kpu s LEU 15 N -0.25 4.42 0.07 3.45 2.96 -0.96 -2.51 118.68 125.87 2kpu s LEU 15 Ca 0.51 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 56.21 2kpu s LEU 15 Cb -0.30 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.78 2kpu s LEU 15 CO 0.35 -0.19 -0.17 0.27 -1.32 0.00 0.00 176.35 175.29 2kpu s ILE 16 N 0.61 1.36 -0.49 6.68 -4.36 0.12 -4.79 121.20 120.34 2kpu s ILE 16 Ca 0.50 -1.29 -0.25 0.00 -0.26 0.00 0.00 60.65 59.35 2kpu s ILE 16 Cb -0.22 -1.25 0.03 0.00 1.25 0.00 0.00 42.46 42.27 2kpu s ILE 16 CO 0.29 -0.07 0.92 0.00 0.24 0.00 0.00 174.94 176.32 2kpu s ALA 17 N -1.08 3.22 -0.05 2.27 0.00 -1.26 -1.70 121.76 123.15 2kpu s ALA 17 Ca 0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2kpu s ALA 17 Cb -0.09 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2kpu s ALA 17 CO 0.03 -2.15 -0.10 1.17 0.00 0.00 0.00 175.76 174.71 2kpu n LYS 18 N 7.22 0.16 -1.47 0.00 3.00 -1.00 -4.59 118.16 121.47 2kpu n LYS 18 Ca 0.04 0.14 -0.34 0.00 -0.00 0.00 0.00 58.31 58.15 2kpu n LYS 18 Cb 0.48 -0.86 -0.05 0.00 0.00 0.00 0.00 35.03 34.60 2kpu n LYS 18 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kpu n ASN 19 N -3.09 7.78 -4.29 3.14 4.13 -0.93 -4.89 115.26 117.11 2kpu n ASN 19 Ca -0.04 -2.78 -0.34 0.00 1.68 0.00 0.00 54.58 53.10 2kpu n ASN 19 Cb 0.14 -1.45 -0.15 0.00 -1.54 0.00 0.00 39.78 36.79 2kpu n ASN 19 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2kpu s THR 20 N 0.59 2.94 0.48 3.41 2.01 -1.26 -1.04 115.64 122.77 2kpu s THR 20 Ca 0.64 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.75 2kpu s THR 20 Cb 0.22 -2.27 -0.07 0.00 0.01 0.00 0.00 72.50 70.39 2kpu s THR 20 CO -0.08 0.49 1.19 -2.84 -0.69 0.00 0.00 174.62 172.70 2kpu s PRO 21 N 0.96 3.61 0.19 4.92 0.02 -1.26 -4.94 135.00 138.50 2kpu s PRO 21 Ca -0.02 1.83 0.25 0.00 0.02 0.00 0.00 61.00 63.08 2kpu s PRO 21 Cb -0.15 -2.34 0.90 0.00 0.02 0.00 0.00 34.50 32.94 2kpu s PRO 21 CO -0.01 -0.69 1.75 0.00 -0.33 0.00 0.00 177.00 177.71 2kpu n ALA 22 N -0.66 2.02 1.37 -1.55 0.00 -1.26 -2.31 120.51 118.12 2kpu n ALA 22 Ca 0.08 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2kpu n ALA 22 Cb 0.48 -1.42 0.45 0.00 0.00 0.00 0.00 19.45 18.96 2kpu n ALA 22 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpu n ASN 23 N -2.12 1.52 -4.01 0.00 3.02 -1.26 -4.74 115.26 107.66 2kpu n ASN 23 Ca 0.04 -1.60 -0.28 0.00 -0.03 0.00 0.00 54.58 52.71 2kpu n ASN 23 Cb 0.33 -0.06 -0.17 0.00 -0.61 0.00 0.00 39.78 39.28 2kpu n ASN 23 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2kpu s SER 24 N -1.75 2.44 -0.16 6.41 1.04 -0.98 -2.55 113.70 118.15 2kpu s SER 24 Ca 0.35 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 2kpu s SER 24 Cb 0.19 -1.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.24 2kpu s SER 24 CO 0.29 -0.03 -0.11 -0.32 0.98 0.00 0.00 173.24 174.05 2kpu s MET 25 N 1.27 3.36 0.07 4.02 1.75 -0.23 -4.72 119.30 124.82 2kpu s MET 25 Ca -0.01 -0.68 -0.30 0.00 -1.25 0.00 0.00 55.69 53.45 2kpu s MET 25 Cb -0.14 -2.73 -0.05 0.00 2.84 0.00 0.00 34.83 34.76 2kpu s MET 25 CO -0.06 0.09 1.05 0.42 -0.65 0.00 0.00 175.02 175.87 2kpu s ILE 26 N 0.69 4.38 -0.12 10.11 1.01 -1.26 0.36 121.20 136.37 2kpu s ILE 26 Ca -0.06 1.82 0.18 0.00 0.00 0.00 0.00 60.65 62.59 2kpu s ILE 26 Cb -0.15 -4.17 -0.19 0.00 0.01 0.00 0.00 42.46 37.96 2kpu s ILE 26 CO 0.02 0.20 0.60 0.23 0.00 0.00 0.00 174.94 176.00 2kpu n MET 27 N 3.37 0.64 -2.82 2.79 2.81 0.96 -4.84 117.12 120.03 2kpu n MET 27 Ca 0.05 0.12 -0.42 0.00 -1.81 0.00 0.00 57.70 55.64 2kpu n MET 27 Cb 0.48 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 2kpu n MET 27 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2kpu s THR 28 N -2.89 4.74 0.40 2.03 -4.23 -1.24 -4.98 115.64 109.46 2kpu s THR 28 Ca -0.05 1.55 -0.26 0.00 -1.18 0.00 0.00 61.69 61.75 2kpu s THR 28 Cb 0.09 -4.21 -0.09 0.00 1.34 0.00 0.00 72.50 69.63 2kpu s THR 28 CO 0.83 -0.22 1.26 -0.54 -0.54 0.00 0.00 174.62 175.41 2kpu s LYS 29 N 3.09 4.01 -0.26 3.99 1.02 -1.26 -4.86 119.74 125.46 2kpu s LYS 29 Ca 0.37 2.06 -0.23 0.00 0.02 0.00 0.00 55.97 58.19 2kpu s LYS 29 Cb -0.14 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 2kpu s LYS 29 CO 0.10 -0.43 0.78 -0.51 -0.92 0.00 0.00 175.35 174.38 2kpu s LEU 30 N -2.42 4.08 1.05 3.17 1.43 -1.26 -5.04 118.68 119.68 2kpu s LEU 30 Ca 0.57 0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 54.36 2kpu s LEU 30 Cb -0.36 -3.09 0.22 0.00 0.03 0.00 0.00 46.19 42.99 2kpu s LEU 30 CO 0.46 -0.52 1.18 -2.84 0.23 0.00 0.00 176.35 174.86 2kpu s PRO 31 N 2.82 -0.00 -0.20 1.29 0.02 -1.26 -4.64 135.00 133.04 2kpu s PRO 31 Ca 0.33 -0.07 -0.12 0.00 0.02 0.00 0.00 61.00 61.15 2kpu s PRO 31 Cb -0.15 -1.74 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 2kpu s PRO 31 CO 0.09 -2.90 0.21 -1.12 -0.33 0.00 0.00 177.00 172.96 2kpu s SER 32 N -4.24 6.28 -0.07 2.53 0.01 -1.26 -2.27 113.70 114.69 2kpu s SER 32 Ca 0.70 0.32 -0.24 0.00 1.31 0.00 0.00 55.95 58.04 2kpu s SER 32 Cb -0.09 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 2kpu s SER 32 CO 0.54 0.10 0.74 0.54 0.41 0.00 0.00 173.24 175.57 2kpu s VAL 33 N 0.65 5.02 -0.33 3.43 0.11 0.12 -4.81 120.40 124.59 2kpu s VAL 33 Ca 0.12 1.51 -0.04 0.00 -2.93 0.00 0.00 61.98 60.64 2kpu s VAL 33 Cb -0.13 -4.07 0.05 0.00 -1.53 0.00 0.00 36.38 30.70 2kpu s VAL 33 CO 0.02 0.23 0.07 -0.13 -3.33 0.00 0.00 175.10 171.96 2kpu s ARG 34 N 0.91 2.46 -0.01 1.54 0.52 -0.44 -0.28 118.95 123.66 2kpu s ARG 34 Ca 0.39 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 2kpu s ARG 34 Cb -0.18 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2kpu s ARG 34 CO 0.19 -0.69 -0.04 0.14 0.02 0.00 0.00 175.30 174.91 2kpu s VAL 35 N 1.30 3.83 -0.27 3.52 -7.23 0.59 -3.64 120.40 118.51 2kpu s VAL 35 Ca -0.02 -0.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 2kpu s VAL 35 Cb -0.20 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 2kpu s VAL 35 CO 0.00 0.41 0.20 -0.75 -0.31 0.00 0.00 175.10 174.66 2kpu s LYS 36 N -1.39 3.99 0.24 4.82 2.20 -0.70 -0.21 119.74 128.69 2kpu s LYS 36 Ca 0.17 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.59 2kpu s LYS 36 Cb -0.11 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2kpu s LYS 36 CO 0.08 -0.12 0.18 0.95 -0.36 0.00 0.00 175.35 176.07 2kpu s THR 37 N 1.59 4.43 -0.32 3.43 -4.23 -1.02 -0.19 115.64 119.34 2kpu s THR 37 Ca 0.08 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2kpu s THR 37 Cb -0.15 -3.37 0.05 0.00 1.34 0.00 0.00 72.50 70.36 2kpu s THR 37 CO 0.09 -0.31 0.05 -0.70 -0.54 0.00 0.00 174.62 173.21 2kpu s GLU 38 N -3.71 2.49 0.00 3.99 2.12 0.10 -4.16 118.70 119.53 2kpu s GLU 38 Ca 0.32 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.40 2kpu s GLU 38 Cb -0.08 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2kpu s GLU 38 CO 0.25 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 2kpu n GLY 39 N 4.69 0.57 3.26 -1.50 0.00 -1.26 -2.28 105.19 108.67 2kpu n GLY 39 Ca -0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 2kpu n GLY 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kpu s TYR 40 N -3.88 -1.07 -0.51 1.61 6.14 -1.26 -4.69 117.35 113.68 2kpu s TYR 40 Ca 0.00 1.59 -0.20 0.00 0.64 0.00 0.00 57.07 59.10 2kpu s TYR 40 Cb 0.00 0.40 0.06 0.00 0.42 0.00 0.00 41.96 42.84 2kpu s TYR 40 CO 0.00 -0.65 0.68 0.54 0.64 0.00 0.00 175.55 176.76 2kpu s ASN 41 N 2.71 6.24 -0.03 4.32 4.22 -1.26 -4.96 114.94 126.18 2kpu s ASN 41 Ca 0.04 -0.82 -0.02 0.00 -2.14 0.00 0.00 52.86 49.93 2kpu s ASN 41 Cb -0.13 -2.31 -0.01 0.00 1.28 0.00 0.00 41.25 40.07 2kpu s ASN 41 CO -0.16 -0.95 0.13 -0.65 -2.04 0.00 0.00 177.10 173.43 2kpu h PRO 42 N 9.05 -0.05 -0.62 3.55 0.11 -2.00 -3.41 132.00 138.63 2kpu h PRO 42 Ca -0.27 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.41 2kpu h PRO 42 Cb 1.09 0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.81 2kpu h PRO 42 CO 0.99 -0.04 -0.89 0.45 -0.21 0.00 0.00 178.00 178.30 2kpu n SER 43 N -3.08 3.83 -4.73 -2.05 2.88 -1.26 -5.03 113.62 104.17 2kpu n SER 43 Ca -0.01 -3.27 -0.38 0.00 -1.33 0.00 0.00 58.87 53.88 2kpu n SER 43 Cb 0.02 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 2kpu n SER 43 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kpu s ILE 44 N -4.25 5.18 -0.98 2.46 1.01 -1.26 -4.99 121.20 118.37 2kpu s ILE 44 Ca 0.44 0.95 -0.23 0.00 0.00 0.00 0.00 60.65 61.81 2kpu s ILE 44 Cb 0.38 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2kpu s ILE 44 CO 0.01 0.33 1.69 0.20 0.00 0.00 0.00 174.94 177.17 2kpu s ASN 45 N 0.57 5.88 0.22 3.58 -0.87 -1.26 -4.76 114.94 118.29 2kpu s ASN 45 Ca 0.26 -1.15 0.22 0.00 -1.57 0.00 0.00 52.86 50.62 2kpu s ASN 45 Cb -0.15 -2.57 0.92 0.00 -0.02 0.00 0.00 41.25 39.43 2kpu s ASN 45 CO 0.10 -2.08 1.68 1.33 -2.57 0.00 0.00 177.10 175.57 2kpu n VAL 46 N 7.33 0.83 0.28 1.60 0.24 -1.26 -1.77 118.33 125.58 2kpu n VAL 46 Ca 0.37 0.20 0.12 0.00 -2.04 0.00 0.00 64.34 62.99 2kpu n VAL 46 Cb 0.49 -1.10 0.09 0.00 -1.47 0.00 0.00 33.84 31.85 2kpu n VAL 46 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2kpu h ASN 47 N 0.00 0.00 0.36 -1.34 4.21 -1.95 -3.33 115.58 113.54 2kpu h ASN 47 Ca 0.00 -0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 2kpu h ASN 47 Cb 0.37 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 2kpu h ASN 47 CO 0.00 0.03 -1.66 -0.62 -1.29 0.00 0.00 177.43 173.89 2kpu n GLU 48 N -2.56 0.64 -2.82 0.81 -0.58 -0.73 -4.86 120.64 110.54 2kpu n GLU 48 Ca 0.02 -0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 2kpu n GLU 48 Cb 0.51 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.70 2kpu n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kpu s LEU 49 N -4.91 4.42 0.29 -4.62 1.43 -0.88 -5.06 118.68 109.36 2kpu s LEU 49 Ca -0.05 1.58 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 2kpu s LEU 49 Cb 0.12 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.85 2kpu s LEU 49 CO 0.86 -0.12 0.04 -0.36 0.23 0.00 0.00 176.35 177.00 2kpu s PHE 50 N 0.44 1.82 -0.26 0.29 0.08 -1.26 -4.74 117.98 114.34 2kpu s PHE 50 Ca 0.45 -0.95 -0.06 0.00 0.12 0.00 0.00 56.93 56.49 2kpu s PHE 50 Cb -0.21 -1.14 -0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2kpu s PHE 50 CO 0.26 -0.02 0.04 0.00 -0.10 0.00 0.00 175.22 175.41 2kpu s ALA 51 N -3.35 3.02 0.15 5.36 0.00 -1.04 -1.91 121.76 123.98 2kpu s ALA 51 Ca 0.34 -1.31 0.09 0.00 0.00 0.00 0.00 51.96 51.08 2kpu s ALA 51 Cb 0.07 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 2kpu s ALA 51 CO 0.13 -0.70 -0.13 1.52 0.00 0.00 0.00 175.76 176.59 2kpu s TYR 52 N 1.52 2.61 0.03 0.00 1.13 0.62 0.15 117.35 123.42 2kpu s TYR 52 Ca 0.04 -0.22 0.07 0.00 -1.41 0.00 0.00 57.07 55.54 2kpu s TYR 52 Cb -0.16 -1.33 -0.03 0.00 -1.10 0.00 0.00 41.96 39.34 2kpu s TYR 52 CO 0.01 0.46 -0.17 0.14 -2.51 0.00 0.00 175.55 173.48 2kpu s VAL 53 N -1.44 2.87 -0.43 -3.49 -7.23 -0.69 -2.07 120.40 107.92 2kpu s VAL 53 Ca 0.22 -1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 59.10 2kpu s VAL 53 Cb -0.10 -2.20 0.03 0.00 0.56 0.00 0.00 36.38 34.67 2kpu s VAL 53 CO 0.13 0.36 0.39 -0.62 -0.31 0.00 0.00 175.10 175.06 2kpu s ASP 54 N -1.38 6.16 -1.04 4.85 2.15 -1.26 -2.20 116.67 123.95 2kpu s ASP 54 Ca 0.15 -0.86 -0.03 0.00 0.43 0.00 0.00 52.55 52.24 2kpu s ASP 54 Cb -0.11 -2.20 0.31 0.00 -0.30 0.00 0.00 42.92 40.62 2kpu s ASP 54 CO 0.05 -0.56 1.47 0.18 -0.17 0.00 0.00 175.17 176.14 2kpu n LEU 55 N 5.42 6.36 -0.11 -1.34 4.77 -0.21 -4.72 117.00 127.17 2kpu n LEU 55 Ca -0.09 -5.26 0.15 0.00 -0.03 0.00 0.00 56.01 50.78 2kpu n LEU 55 Cb 0.47 -1.21 0.80 0.00 -2.33 0.00 0.00 43.42 41.15 2kpu n LEU 55 CO 0.45 1.77 1.02 -1.54 -1.33 0.00 0.00 177.39 177.76 2kpu n SER 56 N 1.09 0.36 -4.43 -1.43 3.41 -1.26 -4.48 113.62 106.88 2kpu n SER 56 Ca 0.29 -0.96 -0.40 0.00 -0.26 0.00 0.00 58.87 57.54 2kpu n SER 56 Cb 0.33 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 2kpu n SER 56 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kpu s GLY 57 N -2.12 1.92 -0.03 5.00 0.00 -1.26 -4.95 107.32 105.88 2kpu s GLY 57 Ca 0.41 -1.56 0.04 0.00 0.00 0.00 0.00 44.72 43.62 2kpu s GLY 57 CO 0.39 0.79 0.91 -1.14 0.00 0.00 0.00 173.10 174.05 2kpu n SER 58 N 5.03 1.61 -4.64 1.64 3.41 -1.26 -4.83 113.62 114.59 2kpu n SER 58 Ca -0.13 -2.13 -0.42 0.00 -0.26 0.00 0.00 58.87 55.94 2kpu n SER 58 Cb 0.48 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2kpu n SER 58 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kpu s GLU 59 N -1.54 4.14 0.56 4.33 2.02 -1.26 -5.05 118.70 121.89 2kpu s GLU 59 Ca 0.12 0.83 -0.09 0.00 0.02 0.00 0.00 54.97 55.85 2kpu s GLU 59 Cb 0.08 -3.66 0.14 0.00 0.10 0.00 0.00 34.13 30.79 2kpu s GLU 59 CO 0.05 -0.53 0.52 -2.30 0.02 0.00 0.00 175.26 173.02 2kpu n PRO 60 N 6.00 -1.86 0.00 0.39 -0.02 -1.26 -4.87 135.00 133.39 2kpu n PRO 60 Ca 0.04 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.70 2kpu n PRO 60 Cb 0.48 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.21 2kpu n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kpu n GLY 61 N -0.70 1.00 2.95 -1.23 0.00 -0.79 -4.84 105.19 101.59 2kpu n GLY 61 Ca 0.07 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 2kpu n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kpu s GLU 62 N 0.00 1.78 0.12 1.61 2.12 -1.26 -0.30 118.70 122.77 2kpu s GLU 62 Ca 0.00 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.60 2kpu s GLU 62 Cb 0.00 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 2kpu s GLU 62 CO 0.00 -0.46 -0.13 -1.01 -0.54 0.00 0.00 175.26 173.12 2kpu s HIS 63 N 1.47 1.30 -0.20 5.30 3.76 0.10 -4.96 115.29 122.06 2kpu s HIS 63 Ca -0.02 -0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 54.21 2kpu s HIS 63 Cb -0.16 -0.69 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 2kpu s HIS 63 CO -0.08 0.10 0.13 -0.51 -0.85 0.00 0.00 174.74 173.54 2kpu s ASP 64 N -2.48 6.20 0.16 1.40 1.01 -1.26 0.06 116.67 121.75 2kpu s ASP 64 Ca 0.08 0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.64 2kpu s ASP 64 Cb -0.04 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 2kpu s ASP 64 CO 0.02 0.18 -0.14 -0.31 0.21 0.00 0.00 175.17 175.14 2kpu s TYR 65 N 0.33 1.52 0.14 4.23 2.02 0.28 -4.95 117.35 120.93 2kpu s TYR 65 Ca 0.08 -0.60 -0.21 0.00 -0.37 0.00 0.00 57.07 55.97 2kpu s TYR 65 Cb -0.11 -0.75 -0.07 0.00 -0.40 0.00 0.00 41.96 40.62 2kpu s TYR 65 CO -0.02 0.23 0.67 -1.21 -1.57 0.00 0.00 175.55 173.65 2kpu s GLU 66 N -3.31 4.31 -0.51 -0.62 2.02 -1.26 -0.27 118.70 119.06 2kpu s GLU 66 Ca 0.17 0.88 -0.24 0.00 0.02 0.00 0.00 54.97 55.80 2kpu s GLU 66 Cb -0.02 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 31.11 2kpu s GLU 66 CO 0.04 0.55 0.91 0.08 0.02 0.00 0.00 175.26 176.86 2kpu s VAL 67 N -1.25 4.46 -0.51 2.63 1.01 0.94 -4.64 120.40 123.05 2kpu s VAL 67 Ca 0.35 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 2kpu s VAL 67 Cb -0.20 -4.47 0.09 0.00 0.00 0.00 0.00 36.38 31.81 2kpu s VAL 67 CO 0.22 -0.96 0.47 -0.75 0.00 0.00 0.00 175.10 174.08 2kpu s LYS 68 N 3.77 3.00 -0.06 2.72 2.20 -0.88 -4.90 119.74 125.59 2kpu s LYS 68 Ca 0.32 -1.42 -0.23 0.00 -0.36 0.00 0.00 55.97 54.28 2kpu s LYS 68 Cb -0.12 -4.19 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 2kpu s LYS 68 CO 0.22 -1.18 0.68 0.08 -0.36 0.00 0.00 175.35 174.79 2kpu s VAL 69 N 1.79 5.04 0.09 4.02 1.01 -1.26 -0.28 120.40 130.81 2kpu s VAL 69 Ca 0.05 1.41 -0.31 0.00 0.00 0.00 0.00 61.98 63.13 2kpu s VAL 69 Cb -0.26 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 2kpu s VAL 69 CO 0.06 0.27 1.44 -0.70 0.00 0.00 0.00 175.10 176.16 2kpu s GLU 70 N 0.71 4.29 0.19 2.72 2.12 -0.80 -4.92 118.70 123.01 2kpu s GLU 70 Ca 0.37 2.10 -0.33 0.00 0.36 0.00 0.00 54.97 57.47 2kpu s GLU 70 Cb -0.18 -3.36 -0.14 0.00 0.26 0.00 0.00 34.13 30.72 2kpu s GLU 70 CO 0.18 -0.52 1.52 -0.35 -0.54 0.00 0.00 175.26 175.55 2kpu n PRO 71 N 4.47 2.12 -2.76 4.30 -0.04 -1.26 -4.83 135.00 136.98 2kpu n PRO 71 Ca 0.13 0.76 -0.42 0.00 -0.04 0.00 0.00 63.50 63.93 2kpu n PRO 71 Cb 0.42 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 2kpu n PRO 71 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kpu s ILE 72 N 0.57 4.84 -0.37 0.52 1.09 -1.26 -4.94 121.20 121.65 2kpu s ILE 72 Ca 0.75 1.91 -0.36 0.00 -1.10 0.00 0.00 60.65 61.85 2kpu s ILE 72 Cb -0.67 -4.25 -0.12 0.00 -1.06 0.00 0.00 42.46 36.36 2kpu s ILE 72 CO 0.42 0.05 2.19 -2.65 -0.10 0.00 0.00 174.94 174.85 2kpu n PRO 73 N 4.84 0.96 -0.85 2.79 -0.02 -1.26 -1.29 135.00 140.16 2kpu n PRO 73 Ca 0.07 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2kpu n PRO 73 Cb 0.49 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2kpu n PRO 73 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kpu n ASN 74 N 9.66 -1.19 -4.75 2.55 5.15 -1.26 -4.97 115.26 120.45 2kpu n ASN 74 Ca 0.43 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 54.05 2kpu n ASN 74 Cb 0.20 -1.21 -0.08 0.00 -0.53 0.00 0.00 39.78 38.16 2kpu n ASN 74 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2kpu s ILE 75 N -2.45 5.07 0.27 -1.44 -1.09 -0.41 -4.96 121.20 116.19 2kpu s ILE 75 Ca 0.00 0.06 -0.14 0.00 -2.23 0.00 0.00 60.65 58.33 2kpu s ILE 75 Cb 0.00 -3.24 -0.08 0.00 -1.58 0.00 0.00 42.46 37.56 2kpu s ILE 75 CO 0.00 0.54 0.67 -0.54 -1.23 0.00 0.00 174.94 174.38 2kpu s LYS 76 N -0.35 3.99 -0.16 2.79 1.02 -0.97 -4.48 119.74 121.57 2kpu s LYS 76 Ca 0.10 0.59 -0.03 0.00 0.02 0.00 0.00 55.97 56.64 2kpu s LYS 76 Cb -0.12 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 2kpu s LYS 76 CO 0.01 0.26 -0.05 -1.50 -0.92 0.00 0.00 175.35 173.15 2kpu s ILE 77 N -1.83 3.69 -0.10 2.17 2.07 -1.26 0.03 121.20 125.97 2kpu s ILE 77 Ca 0.49 -0.42 -0.09 0.00 -1.41 0.00 0.00 60.65 59.23 2kpu s ILE 77 Cb -0.12 -2.62 -0.03 0.00 0.13 0.00 0.00 42.46 39.82 2kpu s ILE 77 CO 0.19 0.48 -0.17 0.52 -1.91 0.00 0.00 174.94 174.06 2kpu n VAL 78 N 3.76 0.90 -4.70 4.00 0.31 0.74 -4.87 118.33 118.47 2kpu n VAL 78 Ca -0.18 0.30 -0.29 0.00 -0.01 0.00 0.00 64.34 64.16 2kpu n VAL 78 Cb 0.52 -2.04 -0.17 0.00 -0.91 0.00 0.00 33.84 31.25 2kpu n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2kpu s GLU 79 N -1.98 2.45 -0.19 5.55 2.02 -0.94 -4.97 118.70 120.63 2kpu s GLU 79 Ca -0.14 -0.66 -0.06 0.00 0.02 0.00 0.00 54.97 54.13 2kpu s GLU 79 Cb 0.02 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2kpu s GLU 79 CO 0.20 0.02 0.04 0.42 0.02 0.00 0.00 175.26 175.96 2kpu s ILE 80 N 0.74 4.43 -0.21 -1.63 1.01 -1.26 -1.73 121.20 122.55 2kpu s ILE 80 Ca -0.11 -0.16 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2kpu s ILE 80 Cb -0.16 -3.00 0.10 0.00 0.01 0.00 0.00 42.46 39.42 2kpu s ILE 80 CO 0.02 0.44 0.36 -0.44 0.00 0.00 0.00 174.94 175.33 2kpu s SER 81 N 0.64 0.15 0.83 3.58 0.01 -1.24 -4.33 113.70 113.35 2kpu s SER 81 Ca 0.02 0.53 -0.08 0.00 1.31 0.00 0.00 55.95 57.72 2kpu s SER 81 Cb -0.13 1.09 0.15 0.00 0.21 0.00 0.00 66.02 67.34 2kpu s SER 81 CO 0.02 -0.27 1.15 -2.16 0.41 0.00 0.00 173.24 172.39 2kpu s PRO 82 N 2.54 1.25 -0.00 12.44 0.04 -1.26 -1.33 135.00 148.67 2kpu s PRO 82 Ca 0.05 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.38 2kpu s PRO 82 Cb -0.14 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 2kpu s PRO 82 CO -0.13 -1.88 0.00 0.54 0.04 0.00 0.00 177.00 175.57 2kpu n ARG 83 N -3.27 3.58 -3.97 4.56 1.74 -1.26 -4.77 116.66 113.27 2kpu n ARG 83 Ca 0.14 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.93 2kpu n ARG 83 Cb 0.60 -1.00 -0.16 0.00 -1.02 0.00 0.00 32.46 30.88 2kpu n ARG 83 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2kpu s VAL 84 N -2.00 1.43 -0.10 1.55 1.01 -1.26 -0.04 120.40 120.99 2kpu s VAL 84 Ca -0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 2kpu s VAL 84 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2kpu s VAL 84 CO 0.00 0.28 -0.07 0.68 0.00 0.00 0.00 175.10 175.99 2kpu s VAL 85 N 1.51 3.63 -0.40 2.92 -7.23 0.63 -4.91 120.40 116.55 2kpu s VAL 85 Ca 0.02 -0.48 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 2kpu s VAL 85 Cb -0.14 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.29 2kpu s VAL 85 CO -0.09 0.56 0.74 -0.89 -0.31 0.00 0.00 175.10 175.11 2kpu s THR 86 N -0.33 4.74 0.03 5.32 2.01 -1.26 -0.56 115.64 125.59 2kpu s THR 86 Ca 0.05 0.56 0.04 0.00 0.31 0.00 0.00 61.69 62.65 2kpu s THR 86 Cb -0.13 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2kpu s THR 86 CO 0.02 -0.54 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.57 2kpu s LEU 87 N 3.08 3.12 -0.14 4.42 1.43 0.11 -4.93 118.68 125.77 2kpu s LEU 87 Ca 0.29 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2kpu s LEU 87 Cb -0.13 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2kpu s LEU 87 CO 0.19 0.25 -0.11 -1.10 0.23 0.00 0.00 176.35 175.81 2kpu s GLN 88 N -1.62 3.44 -0.08 1.70 -0.21 -1.26 -0.72 119.66 120.91 2kpu s GLN 88 Ca 0.18 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.93 2kpu s GLN 88 Cb -0.11 -2.69 -0.02 0.00 1.00 0.00 0.00 33.01 31.18 2kpu s GLN 88 CO 0.09 0.21 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.83 2kpu s LEU 89 N 0.38 2.76 0.32 2.90 1.43 0.59 -0.02 118.68 127.03 2kpu s LEU 89 Ca -0.09 -0.23 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2kpu s LEU 89 Cb -0.16 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 2kpu s LEU 89 CO 0.05 0.29 -0.12 -0.70 0.23 0.00 0.00 176.35 176.10 2kpu s GLU 90 N -0.39 1.82 0.45 1.70 2.12 0.16 -1.89 118.70 122.67 2kpu s GLU 90 Ca 0.04 -1.83 -0.19 0.00 0.36 0.00 0.00 54.97 53.35 2kpu s GLU 90 Cb -0.12 -1.78 -0.10 0.00 0.26 0.00 0.00 34.13 32.39 2kpu s GLU 90 CO 0.02 0.22 0.95 -1.01 -0.54 0.00 0.00 175.26 174.90 2kpu s HIS 91 N -2.55 3.35 -0.32 5.30 3.76 -1.26 -1.07 115.29 122.50 2kpu s HIS 91 Ca 0.32 1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 56.77 2kpu s HIS 91 Cb -0.01 -2.81 0.13 0.00 1.11 0.00 0.00 32.58 31.00 2kpu s HIS 91 CO 0.16 -0.17 0.24 -1.58 -0.85 0.00 0.00 174.74 172.54 2kpu s HIS 92 N -2.30 0.11 -0.10 1.40 2.46 -1.06 -4.72 115.29 111.09 2kpu s HIS 92 Ca 0.61 -0.90 -0.16 0.00 0.47 0.00 0.00 55.06 55.07 2kpu s HIS 92 Cb -0.09 -0.70 -0.14 0.00 -0.13 0.00 0.00 32.58 31.52 2kpu s HIS 92 CO 0.19 -0.88 0.51 1.25 -2.47 0.00 0.00 174.74 173.34 2kpu h HIS 93 N 7.71 -0.06 0.00 3.88 6.17 -0.54 -3.41 115.15 128.91 2kpu h HIS 93 Ca -0.06 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.02 2kpu h HIS 93 Cb 1.02 0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.97 2kpu h HIS 93 CO 0.34 0.42 0.00 1.58 0.71 0.00 0.00 177.93 180.98 2kpu n HIS 94 N -4.76 -2.89 -0.08 5.26 -0.00 -1.26 -4.96 115.22 106.54 2kpu n HIS 94 Ca -0.06 0.58 -0.10 0.00 -0.00 0.00 0.00 57.72 58.14 2kpu n HIS 94 Cb 0.25 1.69 -0.06 0.00 -0.00 0.00 0.00 29.99 31.87 2kpu n HIS 94 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kpu h HIS 95 N 0.00 0.00 0.00 1.57 -0.00 -2.01 -3.55 115.15 111.16 2kpu h HIS 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kpu h HIS 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2kpu h HIS 95 CO 0.00 0.62 0.00 0.72 -0.00 0.00 0.00 177.93 179.27