#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h n GLY 2 N 0.00 0.84 3.60 3.03 0.00 -1.26 -4.98 105.19 106.41 2k5h n GLY 2 Ca 0.00 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2k5h n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5h s SER 3 N -2.60 5.92 0.12 1.61 0.01 -1.26 -4.97 113.70 112.53 2k5h s SER 3 Ca 0.00 1.14 -0.26 0.00 1.31 0.00 0.00 55.95 58.14 2k5h s SER 3 Cb 0.00 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.63 2k5h s SER 3 CO 0.00 -1.72 0.81 -0.44 0.41 0.00 0.00 173.24 172.30 2k5h s SER 4 N 5.89 7.36 -0.28 2.44 0.01 -1.26 -5.05 113.70 122.81 2k5h s SER 4 Ca 0.76 1.61 0.00 0.00 1.31 0.00 0.00 55.95 59.63 2k5h s SER 4 Cb -0.20 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.57 2k5h s SER 4 CO 0.32 0.09 -0.06 -2.28 0.41 0.00 0.00 173.24 171.73 2k5h s HIS 5 N -0.58 3.25 -0.19 2.43 5.65 -1.26 -5.09 115.29 119.50 2k5h s HIS 5 Ca 0.39 -2.07 -0.03 0.00 0.25 0.00 0.00 55.06 53.60 2k5h s HIS 5 Cb -0.22 -2.02 -0.01 0.00 -1.18 0.00 0.00 32.58 29.15 2k5h s HIS 5 CO 0.26 -0.84 -0.06 -3.38 -0.65 0.00 0.00 174.74 170.07 2k5h s HIS 6 N 1.19 2.94 -0.29 3.88 -0.00 -1.26 -5.07 115.29 116.68 2k5h s HIS 6 Ca -0.07 -0.78 -0.13 0.00 -0.00 0.00 0.00 55.06 54.08 2k5h s HIS 6 Cb -0.20 -2.03 0.11 0.00 -0.00 0.00 0.00 32.58 30.46 2k5h s HIS 6 CO -0.03 -0.40 0.66 -1.01 -0.00 0.00 0.00 174.74 173.96 2k5h s HIS 7 N 1.08 -1.21 -0.24 0.38 0.09 -1.26 -5.14 115.29 108.99 2k5h s HIS 7 Ca 0.01 2.23 -0.03 0.00 -0.00 0.00 0.00 55.06 57.27 2k5h s HIS 7 Cb -0.15 0.72 0.01 0.00 -0.00 0.00 0.00 32.58 33.16 2k5h s HIS 7 CO -0.01 -0.60 -0.04 -1.01 -0.00 0.00 0.00 174.74 173.08 2k5h s HIS 8 N 2.32 3.01 -0.70 1.40 4.02 -1.26 -5.06 115.29 119.03 2k5h s HIS 8 Ca -0.08 -1.18 -0.14 0.00 1.02 0.00 0.00 55.06 54.68 2k5h s HIS 8 Cb -0.09 -2.10 0.18 0.00 -1.02 0.00 0.00 32.58 29.55 2k5h s HIS 8 CO -0.19 -0.62 0.64 -3.38 1.02 0.00 0.00 174.74 172.20 2k5h s HIS 9 N 1.42 3.54 -0.60 1.40 0.00 -1.26 -5.01 115.29 114.79 2k5h s HIS 9 Ca 0.03 -1.74 -0.19 0.00 -3.00 0.00 0.00 55.06 50.17 2k5h s HIS 9 Cb -0.15 -3.78 0.11 0.00 -4.00 0.00 0.00 32.58 24.75 2k5h s HIS 9 CO -0.03 -1.00 0.70 -1.58 -1.00 0.00 0.00 174.74 171.82 2k5h s HIS 10 N 0.76 3.04 0.14 0.38 5.04 -1.26 -5.02 115.29 118.36 2k5h s HIS 10 Ca 0.12 -1.02 -0.31 0.00 -1.54 0.00 0.00 55.06 52.30 2k5h s HIS 10 Cb -0.19 -4.00 -0.08 0.00 0.04 0.00 0.00 32.58 28.35 2k5h s HIS 10 CO -0.04 -1.27 1.39 -1.54 -2.34 0.00 0.00 174.74 170.94 2k5h s SER 11 N 3.60 6.81 -0.14 9.88 1.04 -1.26 -4.99 113.70 128.65 2k5h s SER 11 Ca 0.11 2.38 -0.24 0.00 0.48 0.00 0.00 55.95 58.68 2k5h s SER 11 Cb -0.24 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.26 2k5h s SER 11 CO 0.05 -0.64 0.77 -0.44 0.98 0.00 0.00 173.24 173.96 2k5h s SER 12 N 0.93 6.94 -0.39 7.02 0.01 -1.26 -5.01 113.70 121.94 2k5h s SER 12 Ca 0.63 1.14 0.03 0.00 1.31 0.00 0.00 55.95 59.07 2k5h s SER 12 Cb -0.37 -2.43 0.16 0.00 0.21 0.00 0.00 66.02 63.58 2k5h s SER 12 CO 0.32 -0.30 0.39 -0.83 0.41 0.00 0.00 173.24 173.24 2k5h s GLY 13 N 1.06 0.09 -0.47 3.44 0.00 -1.26 -5.09 107.32 105.08 2k5h s GLY 13 Ca 0.37 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 2k5h s GLY 13 CO 0.14 2.70 0.46 -1.60 0.00 0.00 0.00 173.10 174.79 2k5h s ARG 14 N 1.18 3.03 0.11 2.90 3.52 -1.26 -5.02 118.95 123.41 2k5h s ARG 14 Ca 0.20 -1.13 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 2k5h s ARG 14 Cb -0.12 -4.09 -0.02 0.00 -1.56 0.00 0.00 34.95 29.16 2k5h s ARG 14 CO -0.04 -1.04 0.14 -2.00 -0.81 0.00 0.00 175.30 171.55 2k5h s GLU 15 N 1.98 0.90 -0.37 5.12 2.56 -1.26 -5.10 118.70 122.52 2k5h s GLU 15 Ca 0.08 -1.18 -0.28 0.00 0.00 0.00 0.00 54.97 53.59 2k5h s GLU 15 Cb -0.22 0.30 -0.02 0.00 2.00 0.00 0.00 34.13 36.20 2k5h s GLU 15 CO 0.09 -0.28 1.82 -0.80 -0.56 0.00 0.00 175.26 175.54 2k5h s ASN 16 N -2.94 5.77 -1.13 -1.70 0.01 -1.26 -4.90 114.94 108.79 2k5h s ASN 16 Ca 0.13 1.17 -0.22 0.00 -0.71 0.00 0.00 52.86 53.24 2k5h s ASN 16 Cb 0.06 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2k5h s ASN 16 CO -0.05 -1.82 1.76 -0.76 -1.51 0.00 0.00 177.10 174.71 2k5h s LEU 17 N 7.31 3.43 0.00 0.60 1.02 -1.26 -4.26 118.68 125.51 2k5h s LEU 17 Ca 0.79 -1.69 0.00 0.00 0.02 0.00 0.00 54.13 53.25 2k5h s LEU 17 Cb -0.21 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.42 2k5h s LEU 17 CO 0.32 -2.03 0.16 0.00 0.02 0.00 0.00 176.35 174.81 2k5h n TYR 18 N 11.08 0.00 -1.82 0.29 9.36 -1.26 -4.91 117.16 129.89 2k5h n TYR 18 Ca 0.42 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 61.24 2k5h n TYR 18 Cb 0.47 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.17 2k5h n TYR 18 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2k5h n PHE 19 N -0.06 2.62 -3.23 2.98 3.72 -1.26 -4.60 117.46 117.63 2k5h n PHE 19 Ca 0.00 -2.90 -0.03 0.00 -0.05 0.00 0.00 57.45 54.47 2k5h n PHE 19 Cb 0.13 -2.07 -0.02 0.00 -0.94 0.00 0.00 39.48 36.58 2k5h n PHE 19 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2k5h s GLN 20 N 0.12 0.71 -0.23 -1.08 2.00 -1.26 -5.04 119.66 114.88 2k5h s GLN 20 Ca 0.57 -0.20 0.12 0.00 -2.00 0.00 0.00 55.36 53.85 2k5h s GLN 20 Cb 0.17 -0.06 0.44 0.00 0.80 0.00 0.00 33.01 34.37 2k5h s GLN 20 CO -0.08 -1.15 1.32 0.41 -0.50 0.00 0.00 175.29 175.29 2k5h n GLY 21 N 4.64 4.93 2.83 2.59 0.00 -1.26 -4.88 105.19 114.04 2k5h n GLY 21 Ca 0.09 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 2k5h n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k5h s HIS 22 N -3.16 -0.63 -0.19 1.61 3.76 -1.26 -5.12 115.29 110.30 2k5h s HIS 22 Ca 0.40 0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.63 2k5h s HIS 22 Cb 0.37 -0.24 0.04 0.00 1.11 0.00 0.00 32.58 33.86 2k5h s HIS 22 CO -0.02 -0.80 -0.13 -1.64 -0.85 0.00 0.00 174.74 171.30 2k5h s MET 23 N 2.44 2.34 -0.32 1.40 -1.94 -1.26 -5.06 119.30 116.90 2k5h s MET 23 Ca 0.10 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.25 2k5h s MET 23 Cb -0.15 -2.46 0.16 0.00 2.01 0.00 0.00 34.83 34.39 2k5h s MET 23 CO -0.23 -0.36 0.41 0.00 -0.01 0.00 0.00 175.02 174.84 2k5h s ALA 24 N 1.35 -1.08 0.10 3.03 0.00 -1.26 -5.15 121.76 118.75 2k5h s ALA 24 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 2k5h s ALA 24 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2k5h s ALA 24 CO -0.09 -1.87 0.05 0.00 0.00 0.00 0.00 175.76 173.85 2k5h s ALA 25 N 2.23 0.60 -0.18 0.00 0.00 -1.26 -5.14 121.76 118.01 2k5h s ALA 25 Ca 0.12 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2k5h s ALA 25 Cb -0.12 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.66 2k5h s ALA 25 CO -0.23 -0.46 -0.15 -0.98 0.00 0.00 0.00 175.76 173.94 2k5h s ARG 26 N -3.99 2.46 -0.13 0.00 1.70 -1.26 -5.11 118.95 112.63 2k5h s ARG 26 Ca 0.16 -0.77 -0.22 0.00 -0.47 0.00 0.00 55.73 54.43 2k5h s ARG 26 Cb 0.07 -2.39 -0.03 0.00 -0.57 0.00 0.00 34.95 32.03 2k5h s ARG 26 CO -0.03 -0.30 0.68 0.42 -1.08 0.00 0.00 175.30 174.99 2k5h s ILE 27 N 1.37 5.02 -0.37 4.99 1.09 -1.26 -5.03 121.20 127.01 2k5h s ILE 27 Ca 0.03 1.35 -0.20 0.00 -1.10 0.00 0.00 60.65 60.72 2k5h s ILE 27 Cb -0.14 -4.01 0.01 0.00 -1.06 0.00 0.00 42.46 37.26 2k5h s ILE 27 CO -0.10 0.17 0.64 -0.89 -0.10 0.00 0.00 174.94 174.65 2k5h s THR 28 N 1.41 4.88 0.21 2.92 2.01 -1.26 -5.05 115.64 120.75 2k5h s THR 28 Ca 0.34 0.49 0.11 0.00 0.31 0.00 0.00 61.69 62.94 2k5h s THR 28 Cb -0.17 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2k5h s THR 28 CO 0.14 -0.37 -0.23 -0.83 -0.69 0.00 0.00 174.62 172.64 2k5h s GLY 29 N 1.84 1.74 -0.58 4.40 0.00 -1.26 -5.09 107.32 108.37 2k5h s GLY 29 Ca 0.24 -1.69 0.04 0.00 0.00 0.00 0.00 44.72 43.31 2k5h s GLY 29 CO 0.16 -1.73 0.35 -0.54 0.00 0.00 0.00 173.10 171.33 2k5h s GLU 30 N -2.86 2.08 -0.62 2.90 2.02 -1.26 -5.06 118.70 115.89 2k5h s GLU 30 Ca 0.23 -2.84 -0.26 0.00 0.02 0.00 0.00 54.97 52.12 2k5h s GLU 30 Cb -0.07 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2k5h s GLU 30 CO 0.11 -1.19 2.07 -1.25 0.02 0.00 0.00 175.26 175.02 2k5h s PRO 31 N -0.68 2.39 -0.37 0.39 0.04 -1.26 -4.93 135.00 130.58 2k5h s PRO 31 Ca 0.21 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 2k5h s PRO 31 Cb -0.17 -4.55 0.01 0.00 0.04 0.00 0.00 34.50 29.83 2k5h s PRO 31 CO -0.07 -3.09 0.23 -1.12 0.04 0.00 0.00 177.00 172.99 2k5h s SER 32 N 9.48 5.85 0.68 6.66 0.01 -1.26 -5.07 113.70 130.04 2k5h s SER 32 Ca 0.78 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2k5h s SER 32 Cb -0.13 -2.07 0.09 0.00 0.21 0.00 0.00 66.02 64.11 2k5h s SER 32 CO 0.19 -0.35 0.56 0.29 0.41 0.00 0.00 173.24 174.34 2k5h n LYS 33 N 5.05 0.01 -3.41 12.44 5.02 -1.26 -5.05 118.16 130.96 2k5h n LYS 33 Ca -0.12 -1.33 -0.41 0.00 -2.02 0.00 0.00 58.31 54.43 2k5h n LYS 33 Cb 0.47 -0.44 -0.09 0.00 -0.02 0.00 0.00 35.03 34.95 2k5h n LYS 33 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k5h s LYS 34 N -3.98 3.53 0.32 1.97 2.20 -1.26 -5.06 119.74 117.46 2k5h s LYS 34 Ca 0.36 -0.46 0.05 0.00 -0.36 0.00 0.00 55.97 55.56 2k5h s LYS 34 Cb -0.02 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 2k5h s LYS 34 CO 0.24 -0.53 0.47 0.00 -0.36 0.00 0.00 175.35 175.17 2k5h s ALA 35 N 1.99 4.05 -0.34 3.13 0.00 -1.26 -5.06 121.76 124.28 2k5h s ALA 35 Ca 0.11 -1.30 -0.25 0.00 0.00 0.00 0.00 51.96 50.51 2k5h s ALA 35 Cb -0.17 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.18 2k5h s ALA 35 CO 0.12 0.00 0.90 0.08 0.00 0.00 0.00 175.76 176.86 2k5h s VAL 36 N -2.18 4.65 -0.03 0.00 1.01 -1.26 -5.03 120.40 117.56 2k5h s VAL 36 Ca 0.42 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 2k5h s VAL 36 Cb -0.09 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2k5h s VAL 36 CO 0.32 -0.42 0.03 -0.55 0.00 0.00 0.00 175.10 174.47 2k5h s SER 37 N 1.74 5.34 0.00 3.32 0.15 -1.26 -4.99 113.70 118.00 2k5h s SER 37 Ca 0.37 0.09 0.30 0.00 0.70 0.00 0.00 55.95 57.41 2k5h s SER 37 Cb -0.13 -1.48 1.59 0.00 -1.71 0.00 0.00 66.02 64.29 2k5h s SER 37 CO 0.16 0.31 2.04 -0.90 1.20 0.00 0.00 173.24 176.05 2k5h n ASP 38 N 1.59 0.46 0.00 5.45 5.68 -1.26 -3.60 116.55 124.86 2k5h n ASP 38 Ca -0.16 -1.19 0.05 0.00 -0.50 0.00 0.00 54.79 53.00 2k5h n ASP 38 Cb 0.53 -0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.82 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k5h n ARG 39 N -0.63 0.94 0.11 0.11 1.74 -1.26 -1.53 116.66 116.15 2k5h n ARG 39 Ca 0.22 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.42 2k5h n ARG 39 Cb 0.18 -1.18 0.31 0.00 -1.02 0.00 0.00 32.46 30.76 2k5h n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2k5h h LEU 40 N 0.00 0.00 -9.29 0.55 3.38 -1.97 -3.44 115.31 104.54 2k5h h LEU 40 Ca 0.00 -0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.37 2k5h h LEU 40 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2k5h h LEU 40 CO 0.00 0.02 0.70 -0.63 0.09 0.00 0.00 178.44 178.62 2k5h s ILE 41 N -3.14 4.34 0.00 1.22 -1.09 -0.58 -2.55 121.20 119.40 2k5h s ILE 41 Ca 0.09 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 2k5h s ILE 41 Cb 0.11 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2k5h s ILE 41 CO 0.64 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.94 2k5h n GLY 42 N 3.34 0.57 3.91 6.18 0.00 -0.08 -5.03 105.19 114.07 2k5h n GLY 42 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2k5h n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 43 N -0.87 3.62 0.18 1.61 1.81 -1.06 -4.91 118.95 119.33 2k5h s ARG 43 Ca 0.00 -0.07 -0.19 0.00 -1.72 0.00 0.00 55.73 53.75 2k5h s ARG 43 Cb 0.00 -2.72 -0.08 0.00 -0.45 0.00 0.00 34.95 31.71 2k5h s ARG 43 CO 0.00 0.30 0.68 0.21 -0.68 0.00 0.00 175.30 175.81 2k5h s LYS 44 N -3.32 4.24 0.18 3.54 2.36 -1.26 -2.22 119.74 123.26 2k5h s LYS 44 Ca 0.43 0.83 0.03 0.00 -2.55 0.00 0.00 55.97 54.71 2k5h s LYS 44 Cb -0.11 -2.99 -0.05 0.00 -1.05 0.00 0.00 37.83 33.63 2k5h s LYS 44 CO 0.28 0.47 -0.04 0.20 1.55 0.00 0.00 175.35 177.81 2k5h s GLY 45 N -1.52 1.26 0.01 5.54 0.00 0.97 -4.92 107.32 108.67 2k5h s GLY 45 Ca 0.39 -1.60 0.07 0.00 0.00 0.00 0.00 44.72 43.58 2k5h s GLY 45 CO 0.21 -1.59 -0.21 0.54 0.00 0.00 0.00 173.10 172.05 2k5h s VAL 46 N -3.46 2.57 -0.44 1.40 0.11 -1.25 0.14 120.40 119.46 2k5h s VAL 46 Ca 0.22 -1.12 -0.24 0.00 -2.93 0.00 0.00 61.98 57.91 2k5h s VAL 46 Cb 0.05 -2.02 0.02 0.00 -1.53 0.00 0.00 36.38 32.91 2k5h s VAL 46 CO 0.04 0.44 0.84 -0.69 -3.33 0.00 0.00 175.10 172.40 2k5h s VAL 47 N -0.80 4.59 -0.10 2.04 1.01 0.22 -2.59 120.40 124.77 2k5h s VAL 47 Ca 0.13 0.60 0.14 0.00 0.00 0.00 0.00 61.98 62.84 2k5h s VAL 47 Cb -0.10 -4.35 -0.24 0.00 0.00 0.00 0.00 36.38 31.69 2k5h s VAL 47 CO 0.02 -0.73 0.45 0.23 0.00 0.00 0.00 175.10 175.08 2k5h n MET 48 N 6.85 0.65 -4.47 2.72 2.81 0.11 -0.64 117.12 125.15 2k5h n MET 48 Ca 0.04 0.20 -0.20 0.00 -1.81 0.00 0.00 57.70 55.92 2k5h n MET 48 Cb 0.48 -1.70 -0.15 0.00 -0.71 0.00 0.00 33.22 31.14 2k5h n MET 48 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k5h s GLU 49 N -2.56 0.96 0.26 0.03 2.56 -0.70 -4.87 118.70 114.37 2k5h s GLU 49 Ca -0.07 -0.38 -0.31 0.00 0.00 0.00 0.00 54.97 54.21 2k5h s GLU 49 Cb 0.07 -0.91 -0.12 0.00 2.00 0.00 0.00 34.13 35.17 2k5h s GLU 49 CO 0.82 0.20 1.53 0.00 -0.56 0.00 0.00 175.26 177.25 2k5h n ALA 50 N 2.97 1.94 -2.61 6.30 0.00 -1.26 -1.83 120.51 126.02 2k5h n ALA 50 Ca -0.15 0.39 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 2k5h n ALA 50 Cb 0.55 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 2k5h n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 51 N 0.07 5.14 0.30 0.00 1.01 0.63 -3.56 121.20 124.80 2k5h s ILE 51 Ca 0.67 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 61.14 2k5h s ILE 51 Cb -0.57 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 2k5h s ILE 51 CO 0.48 0.03 -0.02 -0.44 0.00 0.00 0.00 174.94 174.98 2k5h s SER 52 N 1.70 2.75 0.33 3.58 0.01 -0.78 -0.23 113.70 121.06 2k5h s SER 52 Ca 0.06 -1.26 0.04 0.00 1.31 0.00 0.00 55.95 56.11 2k5h s SER 52 Cb -0.17 -0.16 0.59 0.00 0.21 0.00 0.00 66.02 66.48 2k5h s SER 52 CO 0.10 -0.42 1.86 -0.65 0.41 0.00 0.00 173.24 174.53 2k5h h PRO 53 N 2.19 0.50 0.11 12.44 0.11 -1.89 -3.23 132.00 142.24 2k5h h PRO 53 Ca -0.40 -0.12 -0.26 0.00 0.11 0.00 0.00 66.00 65.33 2k5h h PRO 53 Cb 1.24 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k5h h PRO 53 CO 0.69 0.56 -1.30 0.37 -0.21 0.00 0.00 178.00 178.11 2k5h h GLN 54 N 0.48 0.23 -4.96 1.05 4.15 -1.96 -3.46 115.11 110.64 2k5h h GLN 54 Ca 0.10 -0.40 -0.62 0.00 0.77 0.00 0.00 58.65 58.50 2k5h h GLN 54 Cb 0.38 0.15 -0.34 0.00 0.21 0.00 0.00 27.48 27.87 2k5h h GLN 54 CO 0.02 1.19 -0.85 1.21 -1.93 0.00 0.00 178.83 178.47 2k5h s ASN 55 N -7.00 2.69 0.65 -0.69 2.47 -1.22 -5.11 114.94 106.73 2k5h s ASN 55 Ca -0.20 -0.49 -0.17 0.00 0.42 0.00 0.00 52.86 52.42 2k5h s ASN 55 Cb 0.04 -1.22 -0.00 0.00 -1.45 0.00 0.00 41.25 38.61 2k5h s ASN 55 CO 0.76 0.06 1.20 -0.44 -3.72 0.00 0.00 177.10 174.97 2k5h s SER 56 N 0.81 4.78 0.57 -4.21 0.01 -1.26 -1.87 113.70 112.53 2k5h s SER 56 Ca -0.09 2.36 0.08 0.00 1.31 0.00 0.00 55.95 59.61 2k5h s SER 56 Cb -0.16 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.55 2k5h s SER 56 CO 0.00 -1.87 0.66 -0.83 0.41 0.00 0.00 173.24 171.61 2k5h s GLY 57 N -1.83 1.96 -0.13 3.44 0.00 -0.59 -4.76 107.32 105.40 2k5h s GLY 57 Ca 0.76 -1.82 0.03 0.00 0.00 0.00 0.00 44.72 43.68 2k5h s GLY 57 CO 0.39 -1.79 -0.22 1.08 0.00 0.00 0.00 173.10 172.56 2k5h s LEU 58 N -4.54 2.09 0.26 0.66 1.43 -0.76 -0.49 118.68 117.33 2k5h s LEU 58 Ca 0.52 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 53.12 2k5h s LEU 58 Cb -0.04 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2k5h s LEU 58 CO 0.33 0.09 -0.02 -0.69 0.23 0.00 0.00 176.35 176.28 2k5h s VAL 59 N 0.77 3.39 -0.12 -1.59 1.01 0.11 0.07 120.40 124.04 2k5h s VAL 59 Ca -0.08 -1.89 -0.00 0.00 0.00 0.00 0.00 61.98 60.00 2k5h s VAL 59 Cb -0.16 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2k5h s VAL 59 CO -0.01 -0.34 -0.10 -0.75 0.00 0.00 0.00 175.10 173.90 2k5h s LYS 60 N -3.56 1.75 -0.41 2.72 2.20 -1.07 0.16 119.74 121.54 2k5h s LYS 60 Ca 0.31 -0.35 -0.07 0.00 -0.36 0.00 0.00 55.97 55.50 2k5h s LYS 60 Cb -0.07 -1.73 0.09 0.00 -1.51 0.00 0.00 37.83 34.61 2k5h s LYS 60 CO 0.19 -0.25 0.23 0.08 -0.36 0.00 0.00 175.35 175.24 2k5h s VAL 61 N 1.61 3.85 0.00 4.02 1.01 0.86 -3.96 120.40 127.77 2k5h s VAL 61 Ca 0.04 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.41 2k5h s VAL 61 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2k5h s VAL 61 CO -0.08 -0.54 0.00 -0.67 0.00 0.00 0.00 175.10 173.80 2k5h n ASP 62 N 4.80 0.00 0.00 3.32 2.03 -1.26 -1.59 116.55 123.85 2k5h n ASP 62 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2k5h n ASP 62 Cb 0.42 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5h n GLY 63 N 0.00 0.87 3.54 0.27 0.00 -1.26 -5.08 105.19 103.53 2k5h n GLY 63 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2k5h n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 64 N -0.01 2.86 -0.27 1.61 0.41 -0.62 -5.10 118.70 117.58 2k5h s GLU 64 Ca 0.00 -0.58 -0.12 0.00 -0.41 0.00 0.00 54.97 53.86 2k5h s GLU 64 Cb 0.00 -2.60 -0.05 0.00 -1.78 0.00 0.00 34.13 29.71 2k5h s GLU 64 CO 0.00 0.58 0.23 0.99 -0.49 0.00 0.00 175.26 176.57 2k5h s THR 65 N -0.58 5.28 0.28 3.63 2.01 -1.26 -0.10 115.64 124.91 2k5h s THR 65 Ca 0.09 0.27 0.11 0.00 0.31 0.00 0.00 61.69 62.47 2k5h s THR 65 Cb -0.12 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2k5h s THR 65 CO 0.02 0.24 -0.11 0.26 -0.69 0.00 0.00 174.62 174.34 2k5h s TRP 66 N 1.75 2.46 0.52 4.92 0.52 0.12 -4.95 118.94 124.28 2k5h s TRP 66 Ca 0.09 -0.31 -0.05 0.00 0.02 0.00 0.00 56.10 55.85 2k5h s TRP 66 Cb -0.16 -1.12 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 2k5h s TRP 66 CO 0.10 0.66 0.83 1.03 0.02 0.00 0.00 176.95 179.59 2k5h s ARG 67 N -3.59 3.34 -0.03 4.98 3.00 -1.16 0.05 118.95 125.55 2k5h s ARG 67 Ca 0.31 0.14 -0.08 0.00 0.00 0.00 0.00 55.73 56.10 2k5h s ARG 67 Cb -0.05 -2.34 0.01 0.00 0.00 0.00 0.00 34.95 32.58 2k5h s ARG 67 CO 0.17 -0.37 0.18 0.00 0.00 0.00 0.00 175.30 175.28 2k5h s ALA 68 N -2.83 -0.45 0.01 2.13 0.00 0.36 0.34 121.76 121.31 2k5h s ALA 68 Ca 0.50 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2k5h s ALA 68 Cb -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2k5h s ALA 68 CO 0.45 -0.17 -0.11 0.95 0.00 0.00 0.00 175.76 176.88 2k5h s THR 69 N -0.81 0.83 0.13 0.00 -4.23 0.40 -1.55 115.64 110.42 2k5h s THR 69 Ca -0.09 -0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 59.67 2k5h s THR 69 Cb -0.05 -0.73 0.03 0.00 1.34 0.00 0.00 72.50 73.09 2k5h s THR 69 CO 0.01 0.12 0.38 -0.55 -0.54 0.00 0.00 174.62 174.05 2k5h s SER 70 N -0.55 -0.18 0.39 3.99 0.15 -1.26 -3.00 113.70 113.24 2k5h s SER 70 Ca 0.02 -0.41 0.20 0.00 0.70 0.00 0.00 55.95 56.46 2k5h s SER 70 Cb -0.05 0.47 0.71 0.00 -1.71 0.00 0.00 66.02 65.43 2k5h s SER 70 CO 0.00 -0.86 1.74 1.23 1.20 0.00 0.00 173.24 176.55 2k5h h GLY 71 N 2.40 0.00 -5.26 9.45 0.00 -1.97 -3.40 103.07 104.30 2k5h h GLY 71 Ca -0.33 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.35 2k5h h GLY 71 CO 0.47 0.00 -0.50 -0.51 0.00 0.00 0.00 176.54 176.00 2k5h s THR 72 N -3.58 5.34 0.05 4.70 -4.23 -1.26 -4.87 115.64 111.79 2k5h s THR 72 Ca 0.00 -0.12 -0.30 0.00 -1.18 0.00 0.00 61.69 60.09 2k5h s THR 72 Cb 0.11 -3.45 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 2k5h s THR 72 CO 0.68 0.39 1.06 0.54 -0.54 0.00 0.00 174.62 176.74 2k5h s VAL 73 N -1.24 4.47 -0.10 2.29 0.11 -1.26 -4.77 120.40 119.90 2k5h s VAL 73 Ca 0.24 1.84 0.03 0.00 -2.93 0.00 0.00 61.98 61.16 2k5h s VAL 73 Cb -0.12 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.55 2k5h s VAL 73 CO 0.15 0.18 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.13 2k5h s LEU 74 N 0.74 1.98 0.52 2.54 1.43 0.69 -4.98 118.68 121.60 2k5h s LEU 74 Ca 0.53 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2k5h s LEU 74 Cb -0.25 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2k5h s LEU 74 CO 0.29 0.12 0.78 -1.81 0.23 0.00 0.00 176.35 175.96 2k5h s ASP 75 N 0.47 5.69 0.32 2.29 1.01 -1.26 -0.27 116.67 124.93 2k5h s ASP 75 Ca -0.17 0.46 -0.29 0.00 0.71 0.00 0.00 52.55 53.26 2k5h s ASP 75 Cb -0.17 -1.57 -0.10 0.00 1.01 0.00 0.00 42.92 42.08 2k5h s ASP 75 CO 0.07 -0.89 1.30 -0.69 0.21 0.00 0.00 175.17 175.17 2k5h s VAL 76 N -2.76 2.76 0.00 -1.27 1.01 -1.26 -2.88 120.40 115.99 2k5h s VAL 76 Ca 0.51 0.76 0.00 0.00 0.00 0.00 0.00 61.98 63.25 2k5h s VAL 76 Cb -0.10 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2k5h s VAL 76 CO 0.41 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2k5h n GLY 77 N 0.88 0.54 3.86 4.51 0.00 0.19 -5.01 105.19 110.15 2k5h n GLY 77 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2k5h n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 78 N -0.96 1.25 -0.03 1.61 0.41 -1.14 -4.78 118.70 115.07 2k5h s GLU 78 Ca 0.00 0.01 0.07 0.00 -0.41 0.00 0.00 54.97 54.64 2k5h s GLU 78 Cb 0.00 -1.88 -0.02 0.00 -1.78 0.00 0.00 34.13 30.46 2k5h s GLU 78 CO 0.00 -2.07 -0.23 -1.21 -0.49 0.00 0.00 175.26 171.26 2k5h s GLU 79 N -5.57 1.97 0.13 1.61 2.02 -1.26 -0.61 118.70 116.98 2k5h s GLU 79 Ca 0.66 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.88 2k5h s GLU 79 Cb -0.10 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 2k5h s GLU 79 CO 0.51 0.46 -0.12 0.14 0.02 0.00 0.00 175.26 176.27 2k5h s VAL 80 N -0.44 1.22 -0.25 2.63 -7.23 0.12 -0.41 120.40 116.04 2k5h s VAL 80 Ca 0.06 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 2k5h s VAL 80 Cb -0.10 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 2k5h s VAL 80 CO 0.00 -0.53 0.11 -0.44 -0.31 0.00 0.00 175.10 173.93 2k5h s SER 81 N -2.65 5.54 -0.45 4.85 0.01 0.38 -0.02 113.70 121.37 2k5h s SER 81 Ca 0.10 -0.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.99 2k5h s SER 81 Cb -0.03 -2.00 0.02 0.00 0.21 0.00 0.00 66.02 64.22 2k5h s SER 81 CO 0.02 -0.01 1.31 -0.69 0.41 0.00 0.00 173.24 174.28 2k5h s VAL 82 N 1.48 4.01 -0.19 3.43 1.01 -0.94 -1.41 120.40 127.79 2k5h s VAL 82 Ca 0.06 1.02 0.09 0.00 0.00 0.00 0.00 61.98 63.15 2k5h s VAL 82 Cb -0.15 -4.38 -0.22 0.00 0.00 0.00 0.00 36.38 31.63 2k5h s VAL 82 CO 0.06 -0.88 0.06 1.17 0.00 0.00 0.00 175.10 175.50 2k5h n LYS 83 N 8.03 0.68 -3.70 2.72 4.81 -0.21 -0.90 118.16 129.59 2k5h n LYS 83 Ca 0.15 0.12 -0.11 0.00 -0.87 0.00 0.00 58.31 57.59 2k5h n LYS 83 Cb 0.48 -1.57 -0.06 0.00 0.02 0.00 0.00 35.03 33.90 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h s ALA 84 N -2.52 -0.83 -0.12 3.14 0.00 -0.82 -4.85 121.76 115.76 2k5h s ALA 84 Ca -0.20 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2k5h s ALA 84 Cb 0.07 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2k5h s ALA 84 CO 0.74 -0.50 -0.09 0.42 0.00 0.00 0.00 175.76 176.33 2k5h s ILE 85 N -2.97 3.45 -0.31 0.00 1.01 -1.26 0.20 121.20 121.31 2k5h s ILE 85 Ca -0.02 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2k5h s ILE 85 Cb 0.00 -2.45 0.15 0.00 0.01 0.00 0.00 42.46 40.17 2k5h s ILE 85 CO -0.06 0.54 0.34 -0.70 0.00 0.00 0.00 174.94 175.06 2k5h s GLU 86 N -0.00 0.43 6.75 2.79 2.12 -0.51 -4.92 118.70 125.36 2k5h s GLU 86 Ca -0.02 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2k5h s GLU 86 Cb -0.14 -0.60 0.00 0.00 0.26 0.00 0.00 34.13 33.66 2k5h s GLU 86 CO 0.03 -1.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.09 2k5h n GLY 87 N 5.02 1.56 0.75 -1.50 0.00 -1.26 -2.91 105.19 106.85 2k5h n GLY 87 Ca 0.02 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.53 2k5h n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5h n VAL 88 N 0.00 0.21 -4.33 1.61 0.31 -1.26 -4.97 118.33 109.91 2k5h n VAL 88 Ca 0.00 -0.60 -0.25 0.00 -0.01 0.00 0.00 64.34 63.48 2k5h n VAL 88 Cb 0.00 1.18 -0.12 0.00 -0.91 0.00 0.00 33.84 33.99 2k5h n VAL 88 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2k5h s LYS 89 N -1.34 1.24 0.07 5.55 0.00 -1.15 -2.97 119.74 121.14 2k5h s LYS 89 Ca 0.23 -1.27 -0.00 0.00 0.00 0.00 0.00 55.97 54.93 2k5h s LYS 89 Cb 0.15 -1.52 -0.04 0.00 0.00 0.00 0.00 37.83 36.42 2k5h s LYS 89 CO 0.22 0.35 0.23 -0.51 0.00 0.00 0.00 175.35 175.64 2k5h s LEU 90 N -2.13 4.35 -0.47 2.77 1.43 0.15 -1.43 118.68 123.36 2k5h s LEU 90 Ca 0.11 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 2k5h s LEU 90 Cb -0.09 -2.99 0.05 0.00 0.03 0.00 0.00 46.19 43.18 2k5h s LEU 90 CO 0.05 0.15 0.52 -0.69 0.23 0.00 0.00 176.35 176.62 2k5h s VAL 91 N -1.54 5.01 0.29 -1.59 1.01 0.13 -0.45 120.40 123.25 2k5h s VAL 91 Ca 0.36 -0.50 0.12 0.00 0.00 0.00 0.00 61.98 61.95 2k5h s VAL 91 Cb -0.13 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2k5h s VAL 91 CO 0.28 -0.62 -0.18 0.68 0.00 0.00 0.00 175.10 175.25 2k5h s VAL 92 N 2.30 2.44 0.27 2.92 -7.23 -1.16 -1.04 120.40 118.89 2k5h s VAL 92 Ca 0.13 -2.38 0.12 0.00 -1.81 0.00 0.00 61.98 58.04 2k5h s VAL 92 Cb -0.19 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 2k5h s VAL 92 CO 0.12 -0.37 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.73 2k5h s GLU 93 N -3.53 1.67 0.31 4.82 2.02 -0.50 -4.65 118.70 118.85 2k5h s GLU 93 Ca 0.30 -1.73 -0.29 0.00 0.02 0.00 0.00 54.97 53.27 2k5h s GLU 93 Cb -0.04 -1.79 -0.10 0.00 0.10 0.00 0.00 34.13 32.31 2k5h s GLU 93 CO 0.15 0.34 1.21 0.21 0.02 0.00 0.00 175.26 177.19 2k5h s LYS 94 N -3.41 4.47 0.70 1.61 2.20 -1.26 -0.47 119.74 123.59 2k5h s LYS 94 Ca 0.29 2.02 -0.16 0.00 -0.36 0.00 0.00 55.97 57.76 2k5h s LYS 94 Cb -0.05 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.17 2k5h s LYS 94 CO 0.14 -0.01 1.12 -0.11 -0.36 0.00 0.00 175.35 176.13 2k5h n LEU 95 N 0.95 4.59 -4.61 5.43 7.94 0.45 -4.65 117.00 127.09 2k5h n LEU 95 Ca -0.00 0.72 -0.43 0.00 -1.11 0.00 0.00 56.01 55.19 2k5h n LEU 95 Cb 0.43 -1.48 -0.03 0.00 0.53 0.00 0.00 43.42 42.88 2k5h n LEU 95 CO 0.57 -1.60 1.68 -0.70 -1.11 0.00 0.00 177.39 176.23 2k5h s GLU 96 N -3.43 3.40 -0.28 1.96 2.12 -1.26 -4.94 118.70 116.27 2k5h s GLU 96 Ca 0.77 1.91 -0.12 0.00 0.36 0.00 0.00 54.97 57.90 2k5h s GLU 96 Cb -0.35 -4.26 -0.05 0.00 0.26 0.00 0.00 34.13 29.73 2k5h s GLU 96 CO 0.46 -1.79 0.22 -2.00 -0.54 0.00 0.00 175.26 171.61 2k5h s GLU 97 N 5.72 3.93 -0.23 4.30 -6.30 -1.26 -5.04 118.70 119.81 2k5h s GLU 97 Ca 0.90 -0.29 -0.29 0.00 -2.50 0.00 0.00 54.97 52.79 2k5h s GLU 97 Cb -0.31 -3.67 -0.01 0.00 0.00 0.00 0.00 34.13 30.14 2k5h s GLU 97 CO 0.35 -0.21 1.41 -0.65 0.02 0.00 0.00 175.26 176.18 2k5h s GLN 98 N 1.80 3.96 0.33 4.30 -1.52 -1.26 -4.87 119.66 122.39 2k5h s GLN 98 Ca 0.08 1.51 0.15 0.00 -1.95 0.00 0.00 55.36 55.15 2k5h s GLN 98 Cb -0.16 -3.91 0.52 0.00 -0.22 0.00 0.00 33.01 29.24 2k5h s GLN 98 CO 0.11 -1.08 1.67 0.87 -0.25 0.00 0.00 175.29 176.61 2k5h h LYS 99 N 9.53 0.00 0.00 2.91 1.57 -2.04 -3.46 116.57 125.08 2k5h h LYS 99 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2k5h h LYS 99 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2k5h h LYS 99 CO 1.01 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 180.78 2k5h n GLY 100 N 0.26 3.33 0.00 3.86 0.00 -1.26 -5.37 105.19 106.01 2k5h n GLY 100 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2k5h n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06