#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 4.26 0.02 6.43 1.04 -1.26 -5.04 113.70 119.15 2kpu s SER 2 Ca 0.00 -0.53 -0.24 0.00 0.48 0.00 0.00 55.95 55.66 2kpu s SER 2 Cb 0.00 -0.74 -0.17 0.00 0.10 0.00 0.00 66.02 65.21 2kpu s SER 2 CO 0.00 0.13 1.44 1.56 0.98 0.00 0.00 173.24 177.35 2kpu h GLN 3 N 3.14 0.04 -4.68 4.02 4.20 -2.13 -3.38 115.11 116.32 2kpu h GLN 3 Ca -0.48 -0.01 -0.69 0.00 0.06 0.00 0.00 58.65 57.53 2kpu h GLN 3 Cb 1.19 -0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.70 2kpu h GLN 3 CO 0.53 0.34 -0.58 0.99 -0.67 0.00 0.00 178.83 179.44 2kpu s THR 4 N -4.95 4.04 0.62 -0.54 2.01 -1.26 -5.09 115.64 110.47 2kpu s THR 4 Ca -0.15 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 2kpu s THR 4 Cb 0.04 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 2kpu s THR 4 CO 0.68 -0.14 1.13 -0.76 -0.69 0.00 0.00 174.62 174.84 2kpu s LEU 5 N 1.46 3.51 0.43 4.42 2.01 -1.26 -4.92 118.68 124.33 2kpu s LEU 5 Ca 0.00 2.10 0.17 0.00 0.01 0.00 0.00 54.13 56.41 2kpu s LEU 5 Cb -0.19 -4.57 0.97 0.00 0.01 0.00 0.00 46.19 42.42 2kpu s LEU 5 CO 0.04 -1.54 1.94 0.44 1.01 0.00 0.00 176.35 178.23 2kpu h ASP 6 N 0.41 0.00 -3.92 2.29 3.32 -1.98 -3.46 116.42 113.08 2kpu h ASP 6 Ca -0.48 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.20 2kpu h ASP 6 Cb 1.26 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.86 2kpu h ASP 6 CO 0.55 0.25 -0.54 -1.14 -1.72 0.00 0.00 179.24 176.63 2kpu n ARG 7 N -4.06 -4.14 -3.72 3.56 0.63 -1.26 -4.96 116.66 102.71 2kpu n ARG 7 Ca -0.02 0.83 -0.35 0.00 -0.92 0.00 0.00 57.85 57.39 2kpu n ARG 7 Cb 0.32 -5.49 -0.09 0.00 0.45 0.00 0.00 32.46 27.65 2kpu n ARG 7 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2kpu s ASP 8 N -2.68 5.42 0.59 6.15 -4.77 -1.26 -4.08 116.67 116.03 2kpu s ASP 8 Ca 0.25 -3.26 -0.17 0.00 -3.30 0.00 0.00 52.55 46.06 2kpu s ASP 8 Cb -0.11 -1.84 -0.04 0.00 -1.09 0.00 0.00 42.92 39.84 2kpu s ASP 8 CO 0.30 -0.27 1.09 -2.84 0.70 0.00 0.00 175.17 174.15 2kpu s PRO 9 N -0.66 3.22 -0.32 2.11 0.02 -1.13 -4.69 135.00 133.55 2kpu s PRO 9 Ca 0.21 1.39 -0.08 0.00 0.02 0.00 0.00 61.00 62.55 2kpu s PRO 9 Cb -0.15 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.38 2kpu s PRO 9 CO -0.07 -0.91 0.12 0.99 -0.33 0.00 0.00 177.00 176.79 2kpu s THR 10 N -2.18 4.12 -0.14 0.99 2.01 -1.26 -0.89 115.64 118.30 2kpu s THR 10 Ca 0.68 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.70 2kpu s THR 10 Cb -0.20 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2kpu s THR 10 CO 0.34 -0.03 0.56 -0.76 -0.69 0.00 0.00 174.62 174.03 2kpu s LEU 11 N 1.50 4.24 -0.47 4.42 1.43 0.93 -4.85 118.68 125.88 2kpu s LEU 11 Ca 0.02 0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 2kpu s LEU 11 Cb -0.18 -2.81 0.10 0.00 0.03 0.00 0.00 46.19 43.32 2kpu s LEU 11 CO 0.04 -0.10 0.36 -0.89 0.23 0.00 0.00 176.35 175.99 2kpu s THR 12 N 1.06 4.68 -0.03 5.49 2.01 -1.26 -0.38 115.64 127.21 2kpu s THR 12 Ca 0.29 -1.42 -0.02 0.00 0.31 0.00 0.00 61.69 60.85 2kpu s THR 12 Cb -0.16 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2kpu s THR 12 CO 0.12 -0.66 0.11 -0.76 -0.69 0.00 0.00 174.62 172.74 2kpu s LEU 13 N 1.50 4.06 0.34 4.42 2.01 0.08 -4.91 118.68 126.19 2kpu s LEU 13 Ca 0.04 0.25 -0.26 0.00 0.01 0.00 0.00 54.13 54.16 2kpu s LEU 13 Cb -0.25 -2.27 -0.09 0.00 0.01 0.00 0.00 46.19 43.58 2kpu s LEU 13 CO 0.03 0.30 1.02 -0.44 1.01 0.00 0.00 176.35 178.27 2kpu s SER 14 N -1.58 7.09 -0.13 2.29 0.01 -1.26 -0.01 113.70 120.12 2kpu s SER 14 Ca 0.22 2.01 -0.22 0.00 1.31 0.00 0.00 55.95 59.27 2kpu s SER 14 Cb -0.12 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 2kpu s SER 14 CO 0.12 -0.25 0.64 -0.22 0.41 0.00 0.00 173.24 173.94 2kpu s LEU 15 N -2.13 4.24 0.40 2.44 2.96 -0.37 -2.40 118.68 123.80 2kpu s LEU 15 Ca 0.52 0.99 0.05 0.00 -0.22 0.00 0.00 54.13 55.48 2kpu s LEU 15 Cb -0.23 -2.95 -0.07 0.00 0.50 0.00 0.00 46.19 43.44 2kpu s LEU 15 CO 0.29 -0.17 0.03 0.27 -1.32 0.00 0.00 176.35 175.45 2kpu s ILE 16 N 1.24 1.62 -0.23 6.68 -4.36 0.14 -4.67 121.20 121.63 2kpu s ILE 16 Ca 0.32 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.65 2kpu s ILE 16 Cb -0.16 -2.83 -0.03 0.00 1.25 0.00 0.00 42.46 40.69 2kpu s ILE 16 CO 0.14 0.00 0.04 0.00 0.24 0.00 0.00 174.94 175.35 2kpu s ALA 17 N -2.92 3.11 -0.05 2.27 0.00 -1.26 -0.99 121.76 121.93 2kpu s ALA 17 Ca 0.32 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.26 2kpu s ALA 17 Cb 0.08 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 2kpu s ALA 17 CO 0.16 -0.33 -0.16 0.21 0.00 0.00 0.00 175.76 175.64 2kpu s LYS 18 N 1.32 2.46 -1.45 0.00 2.20 -1.01 -4.53 119.74 118.72 2kpu s LYS 18 Ca 0.05 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2kpu s LYS 18 Cb -0.15 -2.33 0.01 0.00 -1.51 0.00 0.00 37.83 33.85 2kpu s LYS 18 CO 0.02 0.61 0.22 -1.71 -0.36 0.00 0.00 175.35 174.13 2kpu n ASN 19 N 2.34 -5.11 -4.57 1.43 5.15 -1.26 -2.88 115.26 110.35 2kpu n ASN 19 Ca -0.17 -0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.32 2kpu n ASN 19 Cb 0.52 -4.23 -0.06 0.00 -0.53 0.00 0.00 39.78 35.48 2kpu n ASN 19 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kpu s THR 20 N -2.94 4.86 0.83 -0.44 2.01 -1.26 -4.14 115.64 114.56 2kpu s THR 20 Ca 0.13 0.67 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 2kpu s THR 20 Cb -0.06 -4.10 0.09 0.00 0.01 0.00 0.00 72.50 68.44 2kpu s THR 20 CO 0.16 -0.33 1.09 -2.84 -0.69 0.00 0.00 174.62 172.01 2kpu s PRO 21 N 2.79 1.77 0.14 4.92 0.02 -1.26 -4.96 135.00 138.42 2kpu s PRO 21 Ca 0.26 0.83 0.27 0.00 0.02 0.00 0.00 61.00 62.37 2kpu s PRO 21 Cb -0.14 -1.87 0.89 0.00 0.02 0.00 0.00 34.50 33.40 2kpu s PRO 21 CO 0.15 -1.89 1.78 0.00 -0.33 0.00 0.00 177.00 176.71 2kpu n ALA 22 N -3.64 2.38 -0.00 -1.55 0.00 -1.26 -2.92 120.51 113.52 2kpu n ALA 22 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2kpu n ALA 22 Cb 0.55 -1.44 0.19 0.00 0.00 0.00 0.00 19.45 18.75 2kpu n ALA 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kpu h ASN 23 N 0.00 0.53 -3.09 0.00 2.35 -1.94 -3.38 115.58 110.05 2kpu h ASN 23 Ca 0.00 -0.18 -0.70 0.00 -0.55 0.00 0.00 56.30 54.87 2kpu h ASN 23 Cb 0.66 -0.14 -0.20 0.00 0.05 0.00 0.00 38.32 38.70 2kpu h ASN 23 CO 0.00 0.76 0.03 -0.94 -1.65 0.00 0.00 177.43 175.63 2kpu s SER 24 N -6.80 6.20 -0.36 5.81 1.04 -1.15 -1.78 113.70 116.66 2kpu s SER 24 Ca -0.07 -1.23 -0.12 0.00 0.48 0.00 0.00 55.95 55.01 2kpu s SER 24 Cb 0.14 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.99 2kpu s SER 24 CO 0.80 -0.97 0.22 -0.32 0.98 0.00 0.00 173.24 173.94 2kpu s MET 25 N 2.52 3.06 -0.33 4.02 1.75 -0.07 -4.71 119.30 125.53 2kpu s MET 25 Ca 0.12 -0.93 -0.29 0.00 -1.25 0.00 0.00 55.69 53.34 2kpu s MET 25 Cb -0.22 -3.76 0.00 0.00 2.84 0.00 0.00 34.83 33.68 2kpu s MET 25 CO 0.08 -0.62 1.34 0.42 -0.65 0.00 0.00 175.02 175.60 2kpu s ILE 26 N 1.62 4.05 -1.85 10.11 1.01 -1.26 -0.29 121.20 134.59 2kpu s ILE 26 Ca 0.04 1.16 0.22 0.00 0.00 0.00 0.00 60.65 62.07 2kpu s ILE 26 Cb -0.18 -4.16 0.67 0.00 0.01 0.00 0.00 42.46 38.79 2kpu s ILE 26 CO 0.08 -0.56 1.56 0.23 0.00 0.00 0.00 174.94 176.25 2kpu n MET 27 N 7.56 2.90 -3.72 2.79 2.81 -1.19 -4.85 117.12 123.41 2kpu n MET 27 Ca 0.15 -2.70 -0.37 0.00 -1.81 0.00 0.00 57.70 52.97 2kpu n MET 27 Cb 0.47 -1.63 -0.12 0.00 -0.71 0.00 0.00 33.22 31.22 2kpu n MET 27 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2kpu s THR 28 N -1.16 4.43 0.31 2.03 2.01 -1.26 -5.02 115.64 116.98 2kpu s THR 28 Ca 0.50 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 2kpu s THR 28 Cb 0.27 -3.11 -0.11 0.00 0.01 0.00 0.00 72.50 69.56 2kpu s THR 28 CO 0.32 0.28 1.57 -0.54 -0.69 0.00 0.00 174.62 175.56 2kpu s LYS 29 N 1.62 4.13 -0.17 4.92 -0.14 -1.26 -4.93 119.74 123.91 2kpu s LYS 29 Ca 0.06 2.56 -0.28 0.00 -1.36 0.00 0.00 55.97 56.96 2kpu s LYS 29 Cb -0.16 -3.02 -0.01 0.00 -1.68 0.00 0.00 37.83 32.97 2kpu s LYS 29 CO 0.05 -0.60 0.94 -0.51 -0.76 0.00 0.00 175.35 174.47 2kpu s LEU 30 N -0.80 4.17 0.00 3.17 1.43 -1.26 -5.04 118.68 120.35 2kpu s LEU 30 Ca 0.61 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 2kpu s LEU 30 Cb -0.47 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.33 2kpu s LEU 30 CO 0.51 -0.50 0.00 -0.81 0.23 0.00 0.00 176.35 175.78 2kpu n PRO 31 N 5.52 0.78 -4.61 1.29 -0.04 -1.26 -4.75 135.00 131.93 2kpu n PRO 31 Ca 0.08 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 2kpu n PRO 31 Cb 0.48 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 2kpu n PRO 31 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kpu s SER 32 N -1.00 2.36 -0.02 3.54 0.15 -1.26 -1.24 113.70 116.23 2kpu s SER 32 Ca 0.00 -0.51 -0.01 0.00 0.70 0.00 0.00 55.95 56.13 2kpu s SER 32 Cb 0.00 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 2kpu s SER 32 CO 0.00 0.14 0.08 0.54 1.20 0.00 0.00 173.24 175.20 2kpu s VAL 33 N -0.80 4.76 -0.37 4.45 0.11 0.99 -4.83 120.40 124.70 2kpu s VAL 33 Ca 0.07 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2kpu s VAL 33 Cb -0.09 -3.15 0.11 0.00 -1.53 0.00 0.00 36.38 31.72 2kpu s VAL 33 CO 0.02 0.40 0.11 -0.13 -3.33 0.00 0.00 175.10 172.17 2kpu s ARG 34 N -1.59 1.67 -0.20 1.54 0.52 -1.13 -0.74 118.95 119.02 2kpu s ARG 34 Ca 0.21 -1.92 -0.11 0.00 -0.52 0.00 0.00 55.73 53.39 2kpu s ARG 34 Cb -0.12 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 2kpu s ARG 34 CO 0.12 -0.99 0.19 0.14 0.02 0.00 0.00 175.30 174.78 2kpu s VAL 35 N 0.87 5.37 -0.14 3.52 -7.23 0.49 -4.31 120.40 118.96 2kpu s VAL 35 Ca 0.11 0.29 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 2kpu s VAL 35 Cb -0.20 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.20 2kpu s VAL 35 CO -0.06 0.40 0.99 -0.75 -0.31 0.00 0.00 175.10 175.36 2kpu s LYS 36 N 0.58 4.38 -0.02 4.82 2.20 -1.24 -0.05 119.74 130.41 2kpu s LYS 36 Ca 0.10 1.34 0.05 0.00 -0.36 0.00 0.00 55.97 57.10 2kpu s LYS 36 Cb -0.12 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2kpu s LYS 36 CO 0.01 -0.37 -0.18 0.95 -0.36 0.00 0.00 175.35 175.40 2kpu s THR 37 N 2.23 1.42 -0.90 3.43 -4.23 -0.06 0.14 115.64 117.68 2kpu s THR 37 Ca 0.46 -0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 60.05 2kpu s THR 37 Cb -0.17 -1.19 0.17 0.00 1.34 0.00 0.00 72.50 72.64 2kpu s THR 37 CO 0.15 0.40 0.99 -1.61 -0.54 0.00 0.00 174.62 174.01 2kpu s GLU 38 N -0.32 3.62 0.00 3.99 2.02 0.58 -2.85 118.70 125.75 2kpu s GLU 38 Ca 0.04 -2.09 0.00 0.00 0.02 0.00 0.00 54.97 52.94 2kpu s GLU 38 Cb -0.08 -4.72 0.00 0.00 0.10 0.00 0.00 34.13 29.43 2kpu s GLU 38 CO -0.00 -1.57 0.00 0.41 0.02 0.00 0.00 175.26 174.12 2kpu n GLY 39 N 4.79 3.50 3.70 -1.39 0.00 -1.26 -0.45 105.19 114.08 2kpu n GLY 39 Ca 0.20 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.66 3.28 -0.27 1.61 5.04 -1.26 -4.54 117.35 120.55 2kpu s TYR 40 Ca 0.00 0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.80 2kpu s TYR 40 Cb 0.00 -1.93 0.09 0.00 0.35 0.00 0.00 41.96 40.47 2kpu s TYR 40 CO 0.00 0.39 0.09 0.54 -1.34 0.00 0.00 175.55 175.23 2kpu s ASN 41 N -0.39 3.60 0.00 4.32 2.20 -1.26 -4.95 114.94 118.46 2kpu s ASN 41 Ca 0.09 -1.33 0.26 0.00 -0.94 0.00 0.00 52.86 50.94 2kpu s ASN 41 Cb -0.12 -0.64 0.65 0.00 -2.00 0.00 0.00 41.25 39.14 2kpu s ASN 41 CO 0.02 -0.40 1.52 -0.81 -2.94 0.00 0.00 177.10 174.49 2kpu n PRO 42 N 5.02 0.00 -0.05 3.55 -0.04 -1.26 -4.42 135.00 137.81 2kpu n PRO 42 Ca -0.05 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 2kpu n PRO 42 Cb 0.43 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2kpu n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kpu n SER 43 N -1.51 1.97 -4.72 3.54 3.41 -1.26 -5.02 113.62 110.03 2kpu n SER 43 Ca 0.06 0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 2kpu n SER 43 Cb 0.34 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2kpu n SER 43 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2kpu n ILE 44 N -3.10 1.30 -3.97 -1.33 5.41 -1.26 -4.98 119.36 111.43 2kpu n ILE 44 Ca -0.17 -0.32 -0.32 0.00 1.00 0.00 0.00 62.75 62.93 2kpu n ILE 44 Cb 0.65 -1.79 -0.05 0.00 -0.71 0.00 0.00 39.64 37.74 2kpu n ILE 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2kpu s ASN 45 N 0.23 6.11 0.00 4.38 0.02 -1.26 -4.95 114.94 119.46 2kpu s ASN 45 Ca 0.62 0.24 0.30 0.00 -1.02 0.00 0.00 52.86 53.00 2kpu s ASN 45 Cb -0.54 -1.84 1.45 0.00 0.02 0.00 0.00 41.25 40.33 2kpu s ASN 45 CO 0.53 0.23 2.01 1.33 0.02 0.00 0.00 177.10 181.22 2kpu n VAL 46 N 0.78 0.00 0.14 1.60 0.24 -1.26 -1.58 118.33 118.25 2kpu n VAL 46 Ca -0.10 -0.01 0.11 0.00 -2.04 0.00 0.00 64.34 62.31 2kpu n VAL 46 Cb 0.52 -0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 32.43 2kpu n VAL 46 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2kpu n ASN 47 N -1.25 0.60 0.08 -1.34 2.85 -1.26 -4.07 115.26 110.87 2kpu n ASN 47 Ca 0.14 0.18 -0.12 0.00 -0.11 0.00 0.00 54.58 54.67 2kpu n ASN 47 Cb 0.25 0.88 -0.13 0.00 1.24 0.00 0.00 39.78 42.02 2kpu n ASN 47 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 2kpu h GLU 48 N 0.00 0.14 -5.90 1.20 4.81 -1.73 -3.43 114.58 109.66 2kpu h GLU 48 Ca 0.00 -0.24 -0.61 0.00 -0.13 0.00 0.00 59.36 58.38 2kpu h GLU 48 Cb 0.96 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 2kpu h GLU 48 CO 0.00 1.08 -0.25 -0.51 -0.73 0.00 0.00 179.01 178.61 2kpu s LEU 49 N -6.90 4.43 0.08 1.64 1.43 -0.61 -4.99 118.68 113.76 2kpu s LEU 49 Ca -0.02 0.85 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 2kpu s LEU 49 Cb 0.08 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2kpu s LEU 49 CO 0.85 0.30 -0.10 -0.36 0.23 0.00 0.00 176.35 177.26 2kpu s PHE 50 N -0.83 0.99 -0.19 0.29 0.08 -1.26 -4.69 117.98 112.37 2kpu s PHE 50 Ca 0.22 -0.57 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 2kpu s PHE 50 Cb -0.16 -0.56 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 2kpu s PHE 50 CO 0.11 -0.01 -0.05 0.00 -0.10 0.00 0.00 175.22 175.17 2kpu s ALA 51 N -1.89 2.88 0.26 5.36 0.00 -1.01 -1.37 121.76 125.99 2kpu s ALA 51 Ca -0.00 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.07 2kpu s ALA 51 Cb -0.06 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 2kpu s ALA 51 CO 0.01 -0.10 -0.19 1.52 0.00 0.00 0.00 175.76 176.99 2kpu s TYR 52 N 0.92 2.18 -0.19 0.00 1.13 0.10 0.28 117.35 121.77 2kpu s TYR 52 Ca -0.00 -0.38 -0.03 0.00 -1.41 0.00 0.00 57.07 55.25 2kpu s TYR 52 Cb -0.15 -0.97 -0.01 0.00 -1.10 0.00 0.00 41.96 39.74 2kpu s TYR 52 CO 0.01 0.63 -0.07 0.14 -2.51 0.00 0.00 175.55 173.75 2kpu s VAL 53 N -2.51 3.29 -0.44 -3.49 -7.23 -0.16 -0.37 120.40 109.49 2kpu s VAL 53 Ca 0.28 -0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 59.62 2kpu s VAL 53 Cb -0.05 -2.46 0.02 0.00 0.56 0.00 0.00 36.38 34.45 2kpu s VAL 53 CO 0.13 0.46 1.24 -0.62 -0.31 0.00 0.00 175.10 176.00 2kpu s ASP 54 N 1.07 6.54 -0.36 4.85 2.15 -1.26 -2.40 116.67 127.26 2kpu s ASP 54 Ca 0.01 0.65 0.07 0.00 0.43 0.00 0.00 52.55 53.70 2kpu s ASP 54 Cb -0.15 -2.55 0.59 0.00 -0.30 0.00 0.00 42.92 40.52 2kpu s ASP 54 CO -0.01 -1.30 1.67 0.18 -0.17 0.00 0.00 175.17 175.54 2kpu n LEU 55 N 8.17 5.31 -0.23 -1.34 4.77 -1.14 -4.53 117.00 128.00 2kpu n LEU 55 Ca 0.14 -3.66 -0.03 0.00 -0.03 0.00 0.00 56.01 52.43 2kpu n LEU 55 Cb 0.48 -0.72 0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2kpu n LEU 55 CO 0.71 1.14 1.11 0.28 -1.33 0.00 0.00 177.39 179.30 2kpu h SER 56 N 1.11 0.63 -2.44 -1.43 0.02 -1.79 -3.20 113.55 106.45 2kpu h SER 56 Ca 0.39 0.01 -0.72 0.00 -0.84 0.00 0.00 61.79 60.63 2kpu h SER 56 Cb 2.19 -0.12 -0.19 0.00 0.14 0.00 0.00 62.40 64.43 2kpu h SER 56 CO 0.70 0.42 1.02 -0.83 -1.14 0.00 0.00 176.83 177.00 2kpu s GLY 57 N -2.95 2.28 -0.89 -3.77 0.00 -1.26 -4.97 107.32 95.76 2kpu s GLY 57 Ca -0.13 -3.15 -0.25 0.00 0.00 0.00 0.00 44.72 41.20 2kpu s GLY 57 CO 0.76 1.95 1.87 -1.35 0.00 0.00 0.00 173.10 176.33 2kpu s SER 58 N 3.03 5.33 -0.43 1.64 1.04 -1.21 -4.93 113.70 118.17 2kpu s SER 58 Ca 0.36 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.99 2kpu s SER 58 Cb -0.04 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.56 2kpu s SER 58 CO -0.05 -2.55 0.32 -1.61 0.98 0.00 0.00 173.24 170.32 2kpu s GLU 59 N 6.76 2.91 0.61 4.02 2.02 -1.26 -5.06 118.70 128.70 2kpu s GLU 59 Ca 0.67 -1.20 -0.17 0.00 0.02 0.00 0.00 54.97 54.29 2kpu s GLU 59 Cb -0.06 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.16 2kpu s GLU 59 CO 0.00 -0.87 1.14 -2.14 0.02 0.00 0.00 175.26 173.42 2kpu s PRO 60 N 1.62 2.98 0.00 0.39 0.02 -1.26 -4.64 135.00 134.11 2kpu s PRO 60 Ca 0.04 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.64 2kpu s PRO 60 Cb -0.21 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2kpu s PRO 60 CO 0.07 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 2kpu n GLY 61 N -0.00 -1.69 3.56 0.52 0.00 0.17 -4.88 105.19 102.86 2kpu n GLY 61 Ca 0.12 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.94 3.35 0.02 1.61 2.12 -1.26 -0.88 118.70 122.71 2kpu s GLU 62 Ca 0.00 -0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.37 2kpu s GLU 62 Cb 0.00 -4.10 -0.02 0.00 0.26 0.00 0.00 34.13 30.27 2kpu s GLU 62 CO 0.00 -1.92 -0.15 -1.58 -0.54 0.00 0.00 175.26 171.07 2kpu s HIS 63 N 5.34 1.30 -0.13 5.30 2.46 -0.11 -4.94 115.29 124.52 2kpu s HIS 63 Ca 0.39 -0.31 -0.28 0.00 0.47 0.00 0.00 55.06 55.33 2kpu s HIS 63 Cb -0.08 -0.80 -0.01 0.00 -0.13 0.00 0.00 32.58 31.56 2kpu s HIS 63 CO 0.20 0.02 0.94 -0.51 -2.47 0.00 0.00 174.74 172.91 2kpu s ASP 64 N -0.82 7.14 0.14 9.88 1.01 -1.26 -0.78 116.67 131.98 2kpu s ASP 64 Ca 0.04 1.40 0.11 0.00 0.71 0.00 0.00 52.55 54.80 2kpu s ASP 64 Cb -0.07 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2kpu s ASP 64 CO 0.01 -0.42 -0.25 -0.31 0.21 0.00 0.00 175.17 174.41 2kpu s TYR 65 N 2.02 2.21 0.04 4.23 2.02 0.85 -4.94 117.35 123.78 2kpu s TYR 65 Ca 0.44 -0.38 -0.25 0.00 -0.37 0.00 0.00 57.07 56.52 2kpu s TYR 65 Cb -0.18 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 2kpu s TYR 65 CO 0.16 0.36 0.75 -2.00 -1.57 0.00 0.00 175.55 173.25 2kpu s GLU 66 N -2.21 4.48 -0.56 -0.62 2.12 -1.26 -0.21 118.70 120.43 2kpu s GLU 66 Ca 0.15 1.03 -0.28 0.00 0.36 0.00 0.00 54.97 56.23 2kpu s GLU 66 Cb -0.09 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.96 2kpu s GLU 66 CO 0.07 0.29 1.24 0.08 -0.54 0.00 0.00 175.26 176.39 2kpu s VAL 67 N -0.05 3.98 -0.46 3.70 1.01 -0.72 -4.51 120.40 123.35 2kpu s VAL 67 Ca 0.38 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 2kpu s VAL 67 Cb -0.20 -4.65 0.06 0.00 0.00 0.00 0.00 36.38 31.59 2kpu s VAL 67 CO 0.22 -1.26 0.39 -0.54 0.00 0.00 0.00 175.10 173.91 2kpu s LYS 68 N 5.02 2.99 0.02 2.72 1.02 0.50 -4.90 119.74 127.10 2kpu s LYS 68 Ca 0.46 -1.27 -0.22 0.00 0.02 0.00 0.00 55.97 54.96 2kpu s LYS 68 Cb -0.08 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 33.07 2kpu s LYS 68 CO 0.26 -0.99 0.67 0.08 -0.92 0.00 0.00 175.35 174.45 2kpu s VAL 69 N 1.70 4.83 0.27 3.17 1.01 -1.26 0.01 120.40 130.13 2kpu s VAL 69 Ca 0.05 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.14 2kpu s VAL 69 Cb -0.23 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 2kpu s VAL 69 CO 0.08 0.40 1.49 -1.61 0.00 0.00 0.00 175.10 175.45 2kpu s GLU 70 N -0.15 4.22 0.17 2.72 2.02 -0.47 -4.92 118.70 122.29 2kpu s GLU 70 Ca 0.34 2.39 -0.33 0.00 0.02 0.00 0.00 54.97 57.39 2kpu s GLU 70 Cb -0.19 -3.08 -0.15 0.00 0.10 0.00 0.00 34.13 30.82 2kpu s GLU 70 CO 0.20 -0.48 1.40 -2.30 0.02 0.00 0.00 175.26 174.10 2kpu n PRO 71 N 2.19 1.74 -3.49 0.39 -0.02 -1.26 -4.83 135.00 129.72 2kpu n PRO 71 Ca 0.07 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 2kpu n PRO 71 Cb 0.39 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 2kpu n PRO 71 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kpu s ILE 72 N 0.32 5.24 0.01 4.25 1.09 -1.26 -5.03 121.20 125.83 2kpu s ILE 72 Ca 0.75 0.40 -0.30 0.00 -1.10 0.00 0.00 60.65 60.40 2kpu s ILE 72 Cb -0.75 -3.62 -0.09 0.00 -1.06 0.00 0.00 42.46 36.94 2kpu s ILE 72 CO 0.46 0.22 1.99 -2.65 -0.10 0.00 0.00 174.94 174.86 2kpu n PRO 73 N 5.04 2.76 -1.17 2.79 -0.02 -1.26 -2.30 135.00 140.85 2kpu n PRO 73 Ca -0.11 1.00 -0.06 0.00 -2.02 0.00 0.00 63.50 62.31 2kpu n PRO 73 Cb 0.51 -3.00 -0.02 0.00 -0.02 0.00 0.00 33.50 30.97 2kpu n PRO 73 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kpu n ASN 74 N 7.77 -4.49 -4.01 2.55 4.13 -1.26 -4.98 115.26 114.97 2kpu n ASN 74 Ca 0.21 0.14 -0.24 0.00 1.68 0.00 0.00 54.58 56.37 2kpu n ASN 74 Cb 0.40 -2.50 -0.17 0.00 -1.54 0.00 0.00 39.78 35.97 2kpu n ASN 74 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2kpu s ILE 75 N -1.95 1.05 0.16 2.41 1.01 -0.97 -4.77 121.20 118.14 2kpu s ILE 75 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 2kpu s ILE 75 Cb 0.00 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.43 2kpu s ILE 75 CO 0.00 0.34 0.91 -0.54 0.00 0.00 0.00 174.94 175.65 2kpu s LYS 76 N 0.68 4.73 -0.32 2.79 1.02 0.40 -4.48 119.74 124.57 2kpu s LYS 76 Ca -0.14 1.40 -0.18 0.00 0.02 0.00 0.00 55.97 57.07 2kpu s LYS 76 Cb -0.15 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2kpu s LYS 76 CO 0.03 0.39 0.50 -1.50 -0.92 0.00 0.00 175.35 173.85 2kpu s ILE 77 N -0.62 5.04 -0.25 2.17 2.07 -1.26 -0.31 121.20 128.05 2kpu s ILE 77 Ca 0.42 0.53 -0.17 0.00 -1.41 0.00 0.00 60.65 60.02 2kpu s ILE 77 Cb -0.24 -3.90 -0.15 0.00 0.13 0.00 0.00 42.46 38.30 2kpu s ILE 77 CO 0.30 -0.10 -0.12 0.52 -1.91 0.00 0.00 174.94 173.63 2kpu n VAL 78 N 5.33 1.53 -4.42 4.00 0.31 0.12 -4.95 118.33 120.24 2kpu n VAL 78 Ca -0.05 -0.22 -0.25 0.00 -0.01 0.00 0.00 64.34 63.81 2kpu n VAL 78 Cb 0.49 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 31.36 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 -2.45 1.73 0.00 5.55 2.02 -0.89 -4.92 118.70 119.74 2kpu s GLU 79 Ca -0.34 -1.61 0.10 0.00 0.02 0.00 0.00 54.97 53.14 2kpu s GLU 79 Cb 0.11 -1.87 0.17 0.00 0.10 0.00 0.00 34.13 32.64 2kpu s GLU 79 CO 0.53 0.36 1.01 1.51 0.02 0.00 0.00 175.26 178.70 2kpu n ILE 80 N -0.32 0.00 -3.09 -1.63 3.06 -1.26 -3.59 119.36 112.52 2kpu n ILE 80 Ca -0.08 -0.40 -0.37 0.00 -2.50 0.00 0.00 62.75 59.40 2kpu n ILE 80 Cb 0.58 0.65 -0.06 0.00 0.54 0.00 0.00 39.64 41.35 2kpu n ILE 80 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 2kpu s SER 81 N -1.29 7.14 0.03 9.51 0.01 -1.26 -2.57 113.70 125.27 2kpu s SER 81 Ca 0.14 1.45 -0.30 0.00 1.31 0.00 0.00 55.95 58.55 2kpu s SER 81 Cb 0.16 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 2kpu s SER 81 CO -0.07 0.11 1.56 -2.84 0.41 0.00 0.00 173.24 172.41 2kpu s PRO 82 N -1.67 4.22 0.30 12.44 0.02 -1.26 -2.82 135.00 146.24 2kpu s PRO 82 Ca 0.39 2.18 0.09 0.00 0.02 0.00 0.00 61.00 63.69 2kpu s PRO 82 Cb -0.19 -3.64 0.48 0.00 0.02 0.00 0.00 34.50 31.17 2kpu s PRO 82 CO 0.22 -0.69 1.70 0.00 -0.33 0.00 0.00 177.00 177.89 2kpu h ARG 83 N 8.32 0.11 -5.08 5.54 3.08 -1.87 -3.43 114.38 121.04 2kpu h ARG 83 Ca -0.40 -0.06 -0.53 0.00 0.07 0.00 0.00 59.98 59.06 2kpu h ARG 83 Cb 1.19 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.93 2kpu h ARG 83 CO 0.92 0.56 -0.82 0.08 -1.07 0.00 0.00 179.97 179.64 2kpu s VAL 84 N -3.98 1.26 -0.07 2.04 1.01 -1.26 -1.75 120.40 117.65 2kpu s VAL 84 Ca -0.03 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.38 2kpu s VAL 84 Cb 0.13 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 2kpu s VAL 84 CO 0.76 0.37 -0.24 0.68 0.00 0.00 0.00 175.10 176.67 2kpu s VAL 85 N 0.12 1.98 -0.64 2.92 -7.23 0.70 -4.94 120.40 113.32 2kpu s VAL 85 Ca -0.05 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.89 2kpu s VAL 85 Cb -0.11 -1.69 0.06 0.00 0.56 0.00 0.00 36.38 35.20 2kpu s VAL 85 CO 0.02 0.55 0.97 -0.89 -0.31 0.00 0.00 175.10 175.44 2kpu s THR 86 N 0.06 4.31 -0.13 5.32 2.01 -1.26 -0.11 115.64 125.83 2kpu s THR 86 Ca -0.09 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 2kpu s THR 86 Cb -0.15 -4.66 -0.03 0.00 0.01 0.00 0.00 72.50 67.66 2kpu s THR 86 CO 0.05 -1.40 -0.00 -0.76 -0.69 0.00 0.00 174.62 171.83 2kpu s LEU 87 N 4.13 3.51 -0.54 4.42 1.43 0.04 -4.86 118.68 126.82 2kpu s LEU 87 Ca 0.25 0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 2kpu s LEU 87 Cb -0.15 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.31 2kpu s LEU 87 CO 0.12 0.27 0.62 -1.58 0.23 0.00 0.00 176.35 176.01 2kpu s GLN 88 N -0.20 3.07 -0.24 1.70 0.74 -1.26 -0.93 119.66 122.54 2kpu s GLN 88 Ca 0.05 -1.14 -0.27 0.00 0.05 0.00 0.00 55.36 54.05 2kpu s GLN 88 Cb -0.12 -4.18 0.00 0.00 1.10 0.00 0.00 33.01 29.81 2kpu s GLN 88 CO 0.02 -1.33 0.94 -0.51 -0.55 0.00 0.00 175.29 173.86 2kpu s LEU 89 N 2.49 4.09 0.06 3.68 1.43 -0.06 -3.19 118.68 127.18 2kpu s LEU 89 Ca 0.12 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2kpu s LEU 89 Cb -0.22 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 2kpu s LEU 89 CO 0.09 -0.59 0.19 -0.70 0.23 0.00 0.00 176.35 175.57 2kpu s GLU 90 N 3.01 3.38 -0.02 1.70 -6.30 0.60 0.44 118.70 121.51 2kpu s GLU 90 Ca 0.39 -0.46 -0.30 0.00 -2.50 0.00 0.00 54.97 52.10 2kpu s GLU 90 Cb -0.15 -3.01 -0.05 0.00 0.00 0.00 0.00 34.13 30.92 2kpu s GLU 90 CO 0.07 0.61 1.40 -1.01 0.02 0.00 0.00 175.26 176.34 2kpu s HIS 91 N -1.49 2.82 -1.13 5.30 3.76 -1.26 -0.89 115.29 122.39 2kpu s HIS 91 Ca 0.34 0.81 0.27 0.00 -0.15 0.00 0.00 55.06 56.34 2kpu s HIS 91 Cb -0.13 -3.66 0.91 0.00 1.11 0.00 0.00 32.58 30.81 2kpu s HIS 91 CO 0.27 -2.43 1.69 1.58 -0.85 0.00 0.00 174.74 175.00 2kpu n HIS 92 N 5.55 0.00 -4.01 1.40 -0.00 -0.73 -4.63 115.22 112.79 2kpu n HIS 92 Ca 0.13 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.97 2kpu n HIS 92 Cb 0.44 -0.33 -0.15 0.00 -0.12 0.00 0.00 29.99 29.83 2kpu n HIS 92 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kpu s HIS 93 N -2.90 2.90 0.40 1.57 3.76 -1.26 -5.04 115.29 114.72 2kpu s HIS 93 Ca 0.16 -1.11 0.04 0.00 -0.15 0.00 0.00 55.06 54.00 2kpu s HIS 93 Cb 0.19 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.78 2kpu s HIS 93 CO 0.59 -0.60 0.05 -1.01 -0.85 0.00 0.00 174.74 172.92 2kpu s HIS 94 N 1.37 2.05 -0.06 1.40 3.76 -1.26 -5.09 115.29 117.46 2kpu s HIS 94 Ca 0.05 -0.95 -0.04 0.00 -0.15 0.00 0.00 55.06 53.96 2kpu s HIS 94 Cb -0.14 -1.45 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 2kpu s HIS 94 CO -0.05 0.10 -0.08 0.72 -0.85 0.00 0.00 174.74 174.57 2kpu n HIS 95 N -0.91 0.31 0.00 1.40 8.25 -1.26 -5.24 115.22 117.77 2kpu n HIS 95 Ca -0.07 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2kpu n HIS 95 Cb 0.66 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2kpu n HIS 95 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56