#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 3.85 -1.71 6.43 0.01 -1.26 -4.69 113.70 116.33 2kpu s SER 2 Ca 0.00 -1.35 -0.02 0.00 1.31 0.00 0.00 55.95 55.90 2kpu s SER 2 Cb 0.00 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2kpu s SER 2 CO 0.00 -0.42 0.24 1.67 0.41 0.00 0.00 173.24 175.15 2kpu n GLN 3 N -0.94 -2.97 -1.93 12.44 -0.06 -1.26 -4.90 117.38 117.77 2kpu n GLN 3 Ca -0.05 0.98 -0.42 0.00 -2.00 0.00 0.00 57.00 55.51 2kpu n GLN 3 Cb 0.66 -5.73 -0.03 0.00 -4.06 0.00 0.00 30.24 21.09 2kpu n GLN 3 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2kpu s THR 4 N -3.10 2.54 0.00 1.69 2.01 -1.26 -4.99 115.64 112.53 2kpu s THR 4 Ca 0.12 0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.30 2kpu s THR 4 Cb -0.05 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 2kpu s THR 4 CO 0.15 0.05 0.68 -0.22 -0.69 0.00 0.00 174.62 174.59 2kpu s LEU 5 N 0.52 4.41 -0.06 4.42 2.96 -1.26 -5.05 118.68 124.62 2kpu s LEU 5 Ca 0.66 1.28 -0.15 0.00 -0.22 0.00 0.00 54.13 55.70 2kpu s LEU 5 Cb -0.44 -3.07 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2kpu s LEU 5 CO 0.37 0.03 0.39 -1.81 -1.32 0.00 0.00 176.35 174.01 2kpu s ASP 6 N 0.05 6.70 0.46 3.68 1.01 -1.26 -5.08 116.67 122.22 2kpu s ASP 6 Ca 0.35 0.83 0.03 0.00 0.71 0.00 0.00 52.55 54.47 2kpu s ASP 6 Cb -0.19 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 2kpu s ASP 6 CO 0.20 0.21 0.11 0.54 0.21 0.00 0.00 175.17 176.43 2kpu n ARG 7 N 2.59 0.61 -3.28 8.23 1.74 -1.26 -4.97 116.66 120.31 2kpu n ARG 7 Ca -0.12 -3.68 -0.12 0.00 -0.77 0.00 0.00 57.85 53.17 2kpu n ARG 7 Cb 0.52 1.70 0.00 0.00 -1.02 0.00 0.00 32.46 33.66 2kpu n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kpu n ASP 8 N -1.45 -6.77 -4.68 0.55 8.00 -1.26 -4.88 116.55 106.07 2kpu n ASP 8 Ca -0.11 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.71 2kpu n ASP 8 Cb 0.65 -3.95 -0.03 0.00 -0.02 0.00 0.00 41.12 37.77 2kpu n ASP 8 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kpu s PRO 9 N -3.48 4.29 -0.48 -0.24 0.04 -1.21 -4.84 135.00 129.08 2kpu s PRO 9 Ca 0.07 1.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 2kpu s PRO 9 Cb -0.01 -3.61 0.09 0.00 0.04 0.00 0.00 34.50 31.01 2kpu s PRO 9 CO 0.81 -0.58 0.40 0.99 0.04 0.00 0.00 177.00 178.66 2kpu s THR 10 N 2.55 5.02 -0.19 1.26 2.01 -1.26 -0.45 115.64 124.58 2kpu s THR 10 Ca 0.62 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 2kpu s THR 10 Cb -0.29 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2kpu s THR 10 CO 0.25 -0.64 0.89 -0.76 -0.69 0.00 0.00 174.62 173.67 2kpu s LEU 11 N 1.58 4.15 -0.46 4.42 1.43 0.91 -4.82 118.68 125.89 2kpu s LEU 11 Ca 0.04 1.23 -0.16 0.00 -1.03 0.00 0.00 54.13 54.21 2kpu s LEU 11 Cb -0.25 -3.32 0.06 0.00 0.03 0.00 0.00 46.19 42.70 2kpu s LEU 11 CO 0.05 -0.48 0.40 -0.89 0.23 0.00 0.00 176.35 175.66 2kpu s THR 12 N 2.47 5.19 0.27 5.49 2.01 -1.26 -0.44 115.64 129.37 2kpu s THR 12 Ca 0.40 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2kpu s THR 12 Cb -0.16 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.28 2kpu s THR 12 CO 0.11 -0.54 0.23 0.18 -0.69 0.00 0.00 174.62 173.91 2kpu n LEU 13 N 5.32 0.00 -4.50 4.42 4.77 0.19 -4.90 117.00 122.30 2kpu n LEU 13 Ca -0.11 -1.35 -0.31 0.00 -0.03 0.00 0.00 56.01 54.21 2kpu n LEU 13 Cb 0.45 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.36 2kpu n LEU 13 CO 0.47 -0.45 -0.46 -0.55 -1.33 0.00 0.00 177.39 175.06 2kpu s SER 14 N -2.59 4.02 -0.07 -1.43 0.15 -1.26 -0.30 113.70 112.22 2kpu s SER 14 Ca 0.18 -0.36 -0.23 0.00 0.70 0.00 0.00 55.95 56.24 2kpu s SER 14 Cb -0.01 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 2kpu s SER 14 CO 0.11 0.25 0.66 -0.22 1.20 0.00 0.00 173.24 175.25 2kpu s LEU 15 N -1.50 4.31 0.04 3.45 2.96 -0.90 -1.75 118.68 125.29 2kpu s LEU 15 Ca 0.16 1.13 0.06 0.00 -0.22 0.00 0.00 54.13 55.26 2kpu s LEU 15 Cb -0.11 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 2kpu s LEU 15 CO 0.06 -0.09 -0.16 0.27 -1.32 0.00 0.00 176.35 175.11 2kpu s ILE 16 N 0.74 1.31 -0.66 6.68 -4.36 0.97 -4.71 121.20 121.18 2kpu s ILE 16 Ca 0.36 -1.03 -0.27 0.00 -0.26 0.00 0.00 60.65 59.45 2kpu s ILE 16 Cb -0.17 -1.16 0.03 0.00 1.25 0.00 0.00 42.46 42.41 2kpu s ILE 16 CO 0.17 0.11 1.19 0.00 0.24 0.00 0.00 174.94 176.65 2kpu s ALA 17 N -0.78 2.91 0.00 2.27 0.00 -1.26 -1.50 121.76 123.40 2kpu s ALA 17 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2kpu s ALA 17 Cb -0.08 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2kpu s ALA 17 CO 0.01 -2.93 0.00 1.17 0.00 0.00 0.00 175.76 174.01 2kpu n LYS 18 N 8.71 0.00 -2.53 0.00 4.81 -0.96 -4.58 118.16 123.61 2kpu n LYS 18 Ca 0.04 0.18 -0.42 0.00 -0.87 0.00 0.00 58.31 57.24 2kpu n LYS 18 Cb 0.49 -0.63 0.01 0.00 0.02 0.00 0.00 35.03 34.91 2kpu n LYS 18 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kpu n ASN 19 N -2.10 6.31 -4.42 3.14 4.13 -1.12 -4.94 115.26 116.27 2kpu n ASN 19 Ca 0.00 -3.29 -0.38 0.00 1.68 0.00 0.00 54.58 52.60 2kpu n ASN 19 Cb 0.00 -1.35 -0.12 0.00 -1.54 0.00 0.00 39.78 36.77 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 -1.50 4.37 0.72 3.41 2.01 -1.26 -0.88 115.64 122.50 2kpu s THR 20 Ca 0.39 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2kpu s THR 20 Cb 0.11 -3.18 0.03 0.00 0.01 0.00 0.00 72.50 69.47 2kpu s THR 20 CO 0.01 0.15 1.12 -2.84 -0.69 0.00 0.00 174.62 172.37 2kpu s PRO 21 N 1.59 2.43 0.64 4.92 0.02 -1.26 -5.00 135.00 138.34 2kpu s PRO 21 Ca 0.05 1.41 -0.17 0.00 0.02 0.00 0.00 61.00 62.30 2kpu s PRO 21 Cb -0.17 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 2kpu s PRO 21 CO 0.05 -1.54 1.20 0.00 -0.33 0.00 0.00 177.00 176.37 2kpu s ALA 22 N -2.43 2.42 0.00 -1.55 0.00 -1.26 -3.14 121.76 115.79 2kpu s ALA 22 Ca 0.67 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2kpu s ALA 22 Cb -0.21 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2kpu s ALA 22 CO 0.47 -1.37 0.00 0.09 0.00 0.00 0.00 175.76 174.94 2kpu n ASN 23 N -1.99 -3.75 -4.74 0.00 3.02 -1.26 -5.00 115.26 101.54 2kpu n ASN 23 Ca 0.13 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 2kpu n ASN 23 Cb 0.50 -1.46 -0.08 0.00 -0.61 0.00 0.00 39.78 38.12 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 -2.04 5.75 -0.13 6.41 1.04 -1.19 -0.77 113.70 122.77 2kpu s SER 24 Ca 0.00 0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.67 2kpu s SER 24 Cb 0.00 -1.81 0.03 0.00 0.10 0.00 0.00 66.02 64.34 2kpu s SER 24 CO 0.00 0.34 -0.08 -0.32 0.98 0.00 0.00 173.24 174.16 2kpu s MET 25 N -0.62 1.60 -0.15 4.02 0.00 0.13 -4.65 119.30 119.62 2kpu s MET 25 Ca 0.11 -0.33 -0.24 0.00 0.00 0.00 0.00 55.69 55.23 2kpu s MET 25 Cb -0.12 -1.71 -0.02 0.00 0.00 0.00 0.00 34.83 32.98 2kpu s MET 25 CO 0.02 -0.29 0.79 0.42 0.00 0.00 0.00 175.02 175.96 2kpu s ILE 26 N 1.67 4.93 0.02 10.11 1.01 -1.26 -0.24 121.20 137.44 2kpu s ILE 26 Ca 0.04 1.55 0.06 0.00 0.00 0.00 0.00 60.65 62.30 2kpu s ILE 26 Cb -0.13 -4.10 -0.24 0.00 0.01 0.00 0.00 42.46 38.00 2kpu s ILE 26 CO -0.08 0.08 0.90 0.24 0.00 0.00 0.00 174.94 176.07 2kpu h MET 27 N 7.25 0.08 -6.20 2.79 2.86 -0.62 -3.45 114.93 117.65 2kpu h MET 27 Ca -0.32 -0.13 -0.57 0.00 -2.06 0.00 0.00 59.70 56.62 2kpu h MET 27 Cb 1.15 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.80 2kpu h MET 27 CO 0.81 0.85 0.86 0.95 1.06 0.00 0.00 176.91 181.44 2kpu s THR 28 N -2.64 4.46 0.34 2.22 -4.23 -1.25 -4.97 115.64 109.57 2kpu s THR 28 Ca -0.05 1.73 -0.28 0.00 -1.18 0.00 0.00 61.69 61.91 2kpu s THR 28 Cb 0.08 -4.24 -0.10 0.00 1.34 0.00 0.00 72.50 69.58 2kpu s THR 28 CO 0.83 -0.29 1.22 -0.54 -0.54 0.00 0.00 174.62 175.30 2kpu s LYS 29 N 3.53 4.35 -0.20 3.99 1.02 -1.26 -4.88 119.74 126.29 2kpu s LYS 29 Ca 0.49 2.02 -0.29 0.00 0.02 0.00 0.00 55.97 58.20 2kpu s LYS 29 Cb -0.16 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 2kpu s LYS 29 CO 0.13 -0.12 1.30 -0.51 -0.92 0.00 0.00 175.35 175.23 2kpu s LEU 30 N -1.88 4.09 0.75 3.17 2.01 -1.26 -5.02 118.68 120.54 2kpu s LEU 30 Ca 0.50 1.58 -0.03 0.00 0.01 0.00 0.00 54.13 56.18 2kpu s LEU 30 Cb -0.36 -3.54 0.13 0.00 0.01 0.00 0.00 46.19 42.44 2kpu s LEU 30 CO 0.46 -0.88 1.03 -2.16 1.01 0.00 0.00 176.35 175.82 2kpu s PRO 31 N 3.75 1.59 0.08 1.29 0.04 -1.26 -4.79 135.00 135.71 2kpu s PRO 31 Ca 0.57 -0.94 -0.27 0.00 0.04 0.00 0.00 61.00 60.40 2kpu s PRO 31 Cb -0.21 -2.26 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2kpu s PRO 31 CO 0.18 -1.55 0.83 -1.12 0.04 0.00 0.00 177.00 175.39 2kpu s SER 32 N -4.73 7.33 0.13 6.66 0.01 -1.26 -2.11 113.70 119.72 2kpu s SER 32 Ca 0.67 1.59 0.03 0.00 1.31 0.00 0.00 55.95 59.55 2kpu s SER 32 Cb -0.06 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2kpu s SER 32 CO 0.45 0.01 0.15 0.54 0.41 0.00 0.00 173.24 174.81 2kpu s VAL 33 N -0.18 4.74 -0.04 3.43 0.11 0.59 -4.92 120.40 124.13 2kpu s VAL 33 Ca 0.41 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2kpu s VAL 33 Cb -0.22 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 2kpu s VAL 33 CO 0.26 -0.01 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.75 2kpu s ARG 34 N -2.86 1.51 -0.09 1.54 0.52 -0.47 0.55 118.95 119.65 2kpu s ARG 34 Ca 0.31 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 2kpu s ARG 34 Cb -0.11 -1.32 0.01 0.00 0.52 0.00 0.00 34.95 34.05 2kpu s ARG 34 CO 0.24 0.15 -0.18 0.14 0.02 0.00 0.00 175.30 175.68 2kpu s VAL 35 N 0.23 1.60 -0.11 3.52 -7.23 0.42 -0.75 120.40 118.07 2kpu s VAL 35 Ca -0.06 -0.74 -0.24 0.00 -1.81 0.00 0.00 61.98 59.13 2kpu s VAL 35 Cb -0.12 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 2kpu s VAL 35 CO 0.02 0.46 0.73 -0.75 -0.31 0.00 0.00 175.10 175.25 2kpu s LYS 36 N 0.59 4.37 0.29 4.82 2.36 -0.19 -0.07 119.74 131.92 2kpu s LYS 36 Ca -0.15 0.90 0.04 0.00 -2.55 0.00 0.00 55.97 54.21 2kpu s LYS 36 Cb -0.17 -3.50 -0.06 0.00 -1.05 0.00 0.00 37.83 33.05 2kpu s LYS 36 CO 0.05 -0.09 0.03 0.95 1.55 0.00 0.00 175.35 177.84 2kpu s THR 37 N 1.32 1.20 -0.15 3.43 -4.23 0.40 0.29 115.64 117.90 2kpu s THR 37 Ca 0.37 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.84 2kpu s THR 37 Cb -0.17 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 2kpu s THR 37 CO 0.16 -0.12 -0.12 -1.61 -0.54 0.00 0.00 174.62 172.39 2kpu s GLU 38 N -3.87 3.35 0.00 3.99 0.41 0.60 -3.32 118.70 119.86 2kpu s GLU 38 Ca 0.34 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 2kpu s GLU 38 Cb 0.07 -2.69 0.00 0.00 -1.78 0.00 0.00 34.13 29.73 2kpu s GLU 38 CO 0.13 0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 2kpu n GLY 39 N 3.85 0.53 3.02 -1.39 0.00 -1.26 -2.45 105.19 107.49 2kpu n GLY 39 Ca -0.18 -2.25 -0.25 0.00 0.00 0.00 0.00 46.02 43.33 2kpu n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kpu s TYR 40 N -0.28 1.52 -0.66 1.61 1.51 -1.26 -4.48 117.35 115.32 2kpu s TYR 40 Ca 0.00 -0.60 0.05 0.00 -1.01 0.00 0.00 57.07 55.51 2kpu s TYR 40 Cb 0.00 -1.13 0.19 0.00 -0.11 0.00 0.00 41.96 40.91 2kpu s TYR 40 CO 0.00 -0.32 0.54 0.27 -1.11 0.00 0.00 175.55 174.93 2kpu n ASN 41 N 3.96 2.81 -0.02 2.29 0.23 -1.26 -4.91 115.26 118.37 2kpu n ASN 41 Ca -0.21 -3.18 -0.16 0.00 -0.53 0.00 0.00 54.58 50.49 2kpu n ASN 41 Cb 0.51 -0.72 -0.12 0.00 -2.08 0.00 0.00 39.78 37.38 2kpu n ASN 41 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2kpu h PRO 42 N 5.07 0.20 -2.75 -0.53 0.11 -2.05 -3.41 132.00 128.64 2kpu h PRO 42 Ca 0.17 -0.24 -0.61 0.00 0.11 0.00 0.00 66.00 65.43 2kpu h PRO 42 Cb 0.75 0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.53 2kpu h PRO 42 CO 0.71 1.01 -0.76 -1.12 -0.21 0.00 0.00 178.00 177.63 2kpu s SER 43 N -6.46 3.24 0.10 -2.05 0.01 -1.26 -5.09 113.70 102.19 2kpu s SER 43 Ca -0.16 -3.48 0.03 0.00 1.31 0.00 0.00 55.95 53.65 2kpu s SER 43 Cb 0.01 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.12 2kpu s SER 43 CO 0.76 -0.12 -0.08 -0.63 0.41 0.00 0.00 173.24 173.57 2kpu s ILE 44 N -0.74 0.79 -0.63 1.44 1.01 -1.26 -5.04 121.20 116.77 2kpu s ILE 44 Ca 0.29 -1.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 2kpu s ILE 44 Cb -0.01 -1.48 -0.12 0.00 0.01 0.00 0.00 42.46 40.87 2kpu s ILE 44 CO -0.18 -0.71 2.50 -0.46 0.00 0.00 0.00 174.94 176.08 2kpu n ASN 45 N 0.29 5.00 0.24 3.58 6.94 -1.26 -4.50 115.26 125.55 2kpu n ASN 45 Ca -0.14 -2.30 0.09 0.00 -0.02 0.00 0.00 54.58 52.21 2kpu n ASN 45 Cb 0.59 -1.12 0.58 0.00 -2.36 0.00 0.00 39.78 37.47 2kpu n ASN 45 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2kpu h VAL 46 N 2.87 0.77 -0.20 3.53 2.07 -1.96 -0.59 116.25 122.74 2kpu h VAL 46 Ca 0.40 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2kpu h VAL 46 Cb 0.57 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2kpu h VAL 46 CO 1.00 0.20 0.00 0.59 0.02 0.00 0.00 177.57 179.38 2kpu n ASN 47 N -3.76 1.74 -0.03 0.57 3.02 -1.26 -3.28 115.26 112.26 2kpu n ASN 47 Ca -0.02 -1.75 0.01 0.00 -0.03 0.00 0.00 54.58 52.80 2kpu n ASN 47 Cb 0.31 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.25 2kpu n ASN 47 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kpu n GLU 48 N 0.38 1.04 -3.15 3.52 4.07 -0.30 -4.95 120.64 121.25 2kpu n GLU 48 Ca 0.16 -0.08 -0.39 0.00 -0.06 0.00 0.00 57.16 56.79 2kpu n GLU 48 Cb 0.33 -1.33 -0.05 0.00 -0.06 0.00 0.00 31.44 30.32 2kpu n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2kpu s LEU 49 N -4.40 4.37 0.32 4.31 1.43 -0.77 -5.06 118.68 118.89 2kpu s LEU 49 Ca -0.06 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 2kpu s LEU 49 Cb 0.07 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 2kpu s LEU 49 CO 0.56 0.01 0.35 -0.36 0.23 0.00 0.00 176.35 177.14 2kpu s PHE 50 N 0.25 1.40 -0.25 0.29 0.08 -1.26 -4.76 117.98 113.73 2kpu s PHE 50 Ca 0.33 -1.47 -0.08 0.00 0.12 0.00 0.00 56.93 55.83 2kpu s PHE 50 Cb -0.18 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 2kpu s PHE 50 CO 0.17 -0.96 0.08 0.00 -0.10 0.00 0.00 175.22 174.40 2kpu s ALA 51 N -3.35 3.18 0.10 5.36 0.00 -0.72 -0.82 121.76 125.51 2kpu s ALA 51 Ca 0.36 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 51.26 2kpu s ALA 51 Cb 0.02 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 2kpu s ALA 51 CO 0.23 -0.50 -0.16 1.52 0.00 0.00 0.00 175.76 176.85 2kpu s TYR 52 N 1.62 2.61 -0.11 0.00 1.13 0.19 -0.02 117.35 122.77 2kpu s TYR 52 Ca 0.06 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.50 2kpu s TYR 52 Cb -0.15 -1.40 -0.02 0.00 -1.10 0.00 0.00 41.96 39.29 2kpu s TYR 52 CO 0.04 0.37 -0.11 0.14 -2.51 0.00 0.00 175.55 173.48 2kpu s VAL 53 N -1.12 3.27 -0.43 -3.49 -7.23 -0.56 -2.00 120.40 108.84 2kpu s VAL 53 Ca 0.18 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.64 2kpu s VAL 53 Cb -0.11 -2.36 0.07 0.00 0.56 0.00 0.00 36.38 34.55 2kpu s VAL 53 CO 0.10 0.54 0.29 -1.81 -0.31 0.00 0.00 175.10 173.91 2kpu s ASP 54 N -0.03 5.77 -0.90 4.85 1.01 -1.26 -2.27 116.67 123.84 2kpu s ASP 54 Ca -0.02 -1.40 -0.17 0.00 0.71 0.00 0.00 52.55 51.66 2kpu s ASP 54 Cb -0.14 -2.04 0.15 0.00 1.01 0.00 0.00 42.92 41.91 2kpu s ASP 54 CO 0.04 -0.55 1.03 -0.76 0.21 0.00 0.00 175.17 175.13 2kpu s LEU 55 N 1.49 5.52 0.00 1.23 1.43 -0.06 -4.83 118.68 123.46 2kpu s LEU 55 Ca 0.03 -2.22 0.19 0.00 -1.03 0.00 0.00 54.13 51.11 2kpu s LEU 55 Cb -0.23 -2.35 1.16 0.00 0.03 0.00 0.00 46.19 44.81 2kpu s LEU 55 CO 0.04 -0.93 1.60 -1.54 0.23 0.00 0.00 176.35 175.75 2kpu n SER 56 N 5.84 0.00 -3.64 2.29 3.41 -1.26 -4.45 113.62 115.81 2kpu n SER 56 Ca 0.21 -0.90 -0.08 0.00 -0.26 0.00 0.00 58.87 57.85 2kpu n SER 56 Cb 0.48 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.86 -0.48 -1.35 5.00 0.00 -1.26 -5.06 107.32 102.31 2kpu s GLY 57 Ca 0.29 2.48 -0.16 0.00 0.00 0.00 0.00 44.72 47.33 2kpu s GLY 57 CO 0.23 2.27 1.88 1.44 0.00 0.00 0.00 173.10 178.92 2kpu n SER 58 N 3.76 4.62 -4.51 1.64 7.64 -1.26 -4.94 113.62 120.57 2kpu n SER 58 Ca -0.18 -2.90 -0.43 0.00 1.01 0.00 0.00 58.87 56.37 2kpu n SER 58 Cb 0.58 -1.71 -0.06 0.00 -1.01 0.00 0.00 64.21 62.00 2kpu n SER 58 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kpu s GLU 59 N 3.77 3.27 0.14 1.43 2.02 -1.26 -5.01 118.70 123.06 2kpu s GLU 59 Ca 0.51 -0.42 -0.31 0.00 0.02 0.00 0.00 54.97 54.78 2kpu s GLU 59 Cb 0.07 -3.98 -0.08 0.00 0.10 0.00 0.00 34.13 30.24 2kpu s GLU 59 CO 0.02 -1.10 1.37 -2.14 0.02 0.00 0.00 175.26 173.44 2kpu s PRO 60 N 2.94 4.33 0.00 0.39 0.02 -1.26 -4.26 135.00 137.17 2kpu s PRO 60 Ca 0.23 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2kpu s PRO 60 Cb -0.15 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.15 2kpu s PRO 60 CO 0.18 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 2kpu n GLY 61 N 3.16 1.68 3.58 0.52 0.00 0.13 -4.88 105.19 109.38 2kpu n GLY 61 Ca 0.10 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2kpu n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpu s GLU 62 N -1.58 3.40 0.22 1.61 2.02 -1.26 -2.07 118.70 121.04 2kpu s GLU 62 Ca 0.00 0.52 0.11 0.00 0.02 0.00 0.00 54.97 55.62 2kpu s GLU 62 Cb 0.00 -4.08 -0.05 0.00 0.10 0.00 0.00 34.13 30.11 2kpu s GLU 62 CO 0.00 -1.81 -0.19 -1.01 0.02 0.00 0.00 175.26 172.27 2kpu s HIS 63 N 5.71 2.38 -0.33 1.61 3.76 0.49 -4.91 115.29 123.99 2kpu s HIS 63 Ca 0.52 -0.32 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 2kpu s HIS 63 Cb -0.11 -1.13 -0.00 0.00 1.11 0.00 0.00 32.58 32.45 2kpu s HIS 63 CO 0.27 0.56 0.64 0.34 -0.85 0.00 0.00 174.74 175.70 2kpu s ASP 64 N -2.97 6.46 0.17 1.40 2.15 -1.26 -0.71 116.67 121.92 2kpu s ASP 64 Ca 0.24 0.29 0.07 0.00 0.43 0.00 0.00 52.55 53.59 2kpu s ASP 64 Cb -0.07 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 2kpu s ASP 64 CO 0.13 -0.54 -0.15 -0.31 -0.17 0.00 0.00 175.17 174.13 2kpu s TYR 65 N 2.67 1.64 0.16 -5.34 2.02 0.16 -4.99 117.35 113.66 2kpu s TYR 65 Ca 0.25 -0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 56.24 2kpu s TYR 65 Cb -0.15 -0.80 -0.07 0.00 -0.40 0.00 0.00 41.96 40.54 2kpu s TYR 65 CO 0.13 0.28 0.58 -1.21 -1.57 0.00 0.00 175.55 173.77 2kpu s GLU 66 N -3.19 4.05 -0.36 -0.62 2.02 -1.26 -0.70 118.70 118.64 2kpu s GLU 66 Ca 0.17 0.58 -0.14 0.00 0.02 0.00 0.00 54.97 55.60 2kpu s GLU 66 Cb -0.03 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 2kpu s GLU 66 CO 0.05 0.47 0.29 0.08 0.02 0.00 0.00 175.26 176.18 2kpu s VAL 67 N -1.45 5.24 -0.20 2.63 1.01 0.28 -4.62 120.40 123.29 2kpu s VAL 67 Ca 0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2kpu s VAL 67 Cb -0.16 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2kpu s VAL 67 CO 0.19 -0.11 0.01 -0.54 0.00 0.00 0.00 175.10 174.65 2kpu s LYS 68 N 1.82 3.66 -0.14 2.72 1.02 -0.85 -4.84 119.74 123.13 2kpu s LYS 68 Ca 0.08 -0.50 -0.06 0.00 0.02 0.00 0.00 55.97 55.50 2kpu s LYS 68 Cb -0.17 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2kpu s LYS 68 CO 0.11 0.04 0.09 0.08 -0.92 0.00 0.00 175.35 174.75 2kpu s VAL 69 N 0.92 5.06 -0.04 3.17 1.01 -1.26 0.55 120.40 129.82 2kpu s VAL 69 Ca 0.01 0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.70 2kpu s VAL 69 Cb -0.14 -3.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.89 2kpu s VAL 69 CO 0.02 0.56 1.81 -0.62 0.00 0.00 0.00 175.10 176.86 2kpu n GLU 70 N 2.59 2.13 -1.62 2.72 -0.58 0.00 -4.86 120.64 121.02 2kpu n GLU 70 Ca -0.18 0.78 -0.50 0.00 -0.42 0.00 0.00 57.16 56.83 2kpu n GLU 70 Cb 0.54 -2.60 -0.06 0.00 -0.57 0.00 0.00 31.44 28.75 2kpu n GLU 70 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2kpu n PRO 71 N 5.87 1.69 -2.74 3.49 -0.02 -1.26 -4.80 135.00 137.23 2kpu n PRO 71 Ca 0.21 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 2kpu n PRO 71 Cb 0.29 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 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 5.24 4.76 0.36 4.25 1.01 -1.26 -5.03 121.20 130.53 2kpu s ILE 72 Ca 0.99 1.90 -0.26 0.00 0.00 0.00 0.00 60.65 63.27 2kpu s ILE 72 Cb -0.77 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 37.35 2kpu s ILE 72 CO 0.52 -0.09 1.13 -2.16 0.00 0.00 0.00 174.94 174.34 2kpu s PRO 73 N 2.73 4.27 0.00 2.79 0.04 -1.26 -3.96 135.00 139.61 2kpu s PRO 73 Ca 0.43 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2kpu s PRO 73 Cb -0.16 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2kpu s PRO 73 CO 0.10 -0.11 0.00 -1.71 0.04 0.00 0.00 177.00 175.32 2kpu n ASN 74 N 0.41 0.00 -4.79 6.66 5.15 -1.26 -4.90 115.26 116.54 2kpu n ASN 74 Ca 0.03 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.62 2kpu n ASN 74 Cb 0.46 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.65 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 0.00 4.99 0.05 -1.44 -1.09 -1.25 -5.00 121.20 117.46 2kpu s ILE 75 Ca 0.00 0.99 -0.24 0.00 -2.23 0.00 0.00 60.65 59.17 2kpu s ILE 75 Cb 0.00 -3.80 -0.06 0.00 -1.58 0.00 0.00 42.46 37.02 2kpu s ILE 75 CO 0.00 0.49 0.75 -0.75 -1.23 0.00 0.00 174.94 174.20 2kpu s LYS 76 N -0.56 4.48 -0.12 2.79 2.20 -1.03 -4.64 119.74 122.86 2kpu s LYS 76 Ca 0.26 1.03 -0.13 0.00 -0.36 0.00 0.00 55.97 56.78 2kpu s LYS 76 Cb -0.17 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 2kpu s LYS 76 CO 0.14 0.32 0.30 -1.50 -0.36 0.00 0.00 175.35 174.25 2kpu s ILE 77 N -0.18 5.27 -0.05 5.43 2.07 -1.26 -0.29 121.20 132.19 2kpu s ILE 77 Ca 0.37 0.57 -0.08 0.00 -1.41 0.00 0.00 60.65 60.10 2kpu s ILE 77 Cb -0.20 -3.62 -0.03 0.00 0.13 0.00 0.00 42.46 38.73 2kpu s ILE 77 CO 0.23 0.46 -0.16 0.52 -1.91 0.00 0.00 174.94 174.08 2kpu n VAL 78 N 2.96 1.22 -4.37 4.00 0.31 0.14 -4.95 118.33 117.65 2kpu n VAL 78 Ca -0.13 0.19 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 2kpu n VAL 78 Cb 0.52 -1.88 -0.17 0.00 -0.91 0.00 0.00 33.84 31.40 2kpu n VAL 78 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kpu s GLU 79 N -2.38 2.08 -0.37 5.55 2.12 -0.95 -4.94 118.70 119.82 2kpu s GLU 79 Ca -0.14 -0.51 -0.14 0.00 0.36 0.00 0.00 54.97 54.54 2kpu s GLU 79 Cb 0.03 -1.82 -0.00 0.00 0.26 0.00 0.00 34.13 32.60 2kpu s GLU 79 CO 0.20 -0.09 0.29 0.42 -0.54 0.00 0.00 175.26 175.54 2kpu s ILE 80 N 1.08 5.24 -0.22 -3.70 1.01 -1.26 -1.02 121.20 122.32 2kpu s ILE 80 Ca -0.05 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2kpu s ILE 80 Cb -0.15 -3.82 0.06 0.00 0.01 0.00 0.00 42.46 38.56 2kpu s ILE 80 CO -0.03 -0.14 -0.04 -0.94 0.00 0.00 0.00 174.94 173.79 2kpu s SER 81 N 1.72 3.63 0.51 3.58 1.04 0.07 -2.70 113.70 121.54 2kpu s SER 81 Ca 0.07 -1.08 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 2kpu s SER 81 Cb -0.18 -1.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.86 2kpu s SER 81 CO 0.11 -0.24 0.80 -2.16 0.98 0.00 0.00 173.24 172.72 2kpu s PRO 82 N 1.48 3.20 0.12 4.02 0.04 -1.26 -1.37 135.00 141.23 2kpu s PRO 82 Ca -0.05 -0.04 0.16 0.00 0.04 0.00 0.00 61.00 61.11 2kpu s PRO 82 Cb -0.18 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 2kpu s PRO 82 CO -0.07 -0.39 0.99 0.00 0.04 0.00 0.00 177.00 177.57 2kpu h ARG 83 N 0.13 0.00 -4.10 4.56 3.08 -1.84 -3.44 114.38 112.76 2kpu h ARG 83 Ca -0.46 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.24 2kpu h ARG 83 Cb 1.24 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.98 2kpu h ARG 83 CO 0.60 0.34 -0.76 0.08 -1.07 0.00 0.00 179.97 179.17 2kpu s VAL 84 N -2.94 0.37 0.13 2.04 1.01 -1.26 -0.56 120.40 119.19 2kpu s VAL 84 Ca -0.01 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.94 2kpu s VAL 84 Cb 0.08 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2kpu s VAL 84 CO 0.80 0.14 -0.23 0.68 0.00 0.00 0.00 175.10 176.48 2kpu s VAL 85 N 0.34 2.02 -0.43 2.92 -7.23 0.12 -4.92 120.40 113.22 2kpu s VAL 85 Ca -0.04 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 2kpu s VAL 85 Cb -0.07 -1.83 0.05 0.00 0.56 0.00 0.00 36.38 35.09 2kpu s VAL 85 CO -0.00 -0.05 0.33 -0.89 -0.31 0.00 0.00 175.10 174.18 2kpu s THR 86 N -1.31 5.05 -0.13 5.32 2.01 -1.26 -0.66 115.64 124.66 2kpu s THR 86 Ca 0.12 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 2kpu s THR 86 Cb -0.09 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2kpu s THR 86 CO 0.06 -0.44 0.11 -0.76 -0.69 0.00 0.00 174.62 172.89 2kpu s LEU 87 N 1.62 4.16 -0.42 4.42 1.43 0.11 -4.85 118.68 125.15 2kpu s LEU 87 Ca 0.04 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 2kpu s LEU 87 Cb -0.22 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.02 2kpu s LEU 87 CO 0.07 0.34 0.33 -1.10 0.23 0.00 0.00 176.35 176.23 2kpu s GLN 88 N -0.65 2.98 -0.05 1.70 -0.21 -1.26 -0.38 119.66 121.79 2kpu s GLN 88 Ca 0.12 -1.07 -0.02 0.00 0.02 0.00 0.00 55.36 54.42 2kpu s GLN 88 Cb -0.12 -4.01 -0.04 0.00 1.00 0.00 0.00 33.01 29.84 2kpu s GLN 88 CO 0.02 -0.82 0.06 -0.51 -2.12 0.00 0.00 175.29 171.93 2kpu s LEU 89 N 1.71 3.86 0.32 2.90 1.43 -0.88 0.19 118.68 128.22 2kpu s LEU 89 Ca 0.05 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2kpu s LEU 89 Cb -0.20 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2kpu s LEU 89 CO 0.10 0.33 0.18 -0.70 0.23 0.00 0.00 176.35 176.49 2kpu s GLU 90 N -1.35 1.68 -0.29 1.70 2.12 0.67 0.19 118.70 123.41 2kpu s GLU 90 Ca 0.18 -1.97 -0.12 0.00 0.36 0.00 0.00 54.97 53.43 2kpu s GLU 90 Cb -0.12 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 2kpu s GLU 90 CO 0.09 -0.50 0.21 -1.01 -0.54 0.00 0.00 175.26 173.51 2kpu s HIS 91 N -3.52 3.22 -0.25 5.30 3.76 -1.26 0.19 115.29 122.73 2kpu s HIS 91 Ca 0.35 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 55.02 2kpu s HIS 91 Cb 0.04 -2.42 -0.01 0.00 1.11 0.00 0.00 32.58 31.30 2kpu s HIS 91 CO 0.19 -0.22 1.46 -1.58 -0.85 0.00 0.00 174.74 173.75 2kpu s HIS 92 N 1.77 2.39 0.34 1.40 2.46 0.05 -4.84 115.29 118.86 2kpu s HIS 92 Ca 0.07 0.70 -0.19 0.00 0.47 0.00 0.00 55.06 56.12 2kpu s HIS 92 Cb -0.16 -3.93 -0.10 0.00 -0.13 0.00 0.00 32.58 28.26 2kpu s HIS 92 CO 0.11 -2.35 0.82 -1.01 -2.47 0.00 0.00 174.74 169.83 2kpu s HIS 93 N 4.75 3.43 0.07 3.88 3.76 -1.26 -4.76 115.29 125.17 2kpu s HIS 93 Ca 0.64 1.42 0.18 0.00 -0.15 0.00 0.00 55.06 57.14 2kpu s HIS 93 Cb -0.21 -2.68 0.51 0.00 1.11 0.00 0.00 32.58 31.30 2kpu s HIS 93 CO 0.26 0.09 1.65 1.25 -0.85 0.00 0.00 174.74 177.13 2kpu h HIS 94 N 2.44 0.00 -3.33 1.40 2.76 -2.00 -3.40 115.15 113.01 2kpu h HIS 94 Ca -0.48 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 57.31 2kpu h HIS 94 Cb 1.18 0.00 -0.38 0.00 1.55 0.00 0.00 27.41 29.76 2kpu h HIS 94 CO 0.62 0.42 -0.75 -3.38 -1.30 0.00 0.00 177.93 173.54 2kpu s HIS 95 N -3.41 0.22 0.00 5.26 0.00 -1.26 -5.32 115.29 110.78 2kpu s HIS 95 Ca 0.01 0.13 0.00 0.00 -3.00 0.00 0.00 55.06 52.20 2kpu s HIS 95 Cb 0.10 -0.53 0.00 0.00 -4.00 0.00 0.00 32.58 28.15 2kpu s HIS 95 CO 0.70 -0.21 0.00 1.58 -1.00 0.00 0.00 174.74 175.82