#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oxg s ASP 2 N 0.00 6.01 -1.50 0.00 -0.00 -1.26 -4.29 116.67 115.63 2oxg s ASP 2 Ca 0.00 2.07 -0.11 0.00 -0.00 0.00 0.00 52.55 54.52 2oxg s ASP 2 Cb 0.00 -2.57 0.07 0.00 -0.00 0.00 0.00 42.92 40.42 2oxg s ASP 2 CO 0.00 -1.01 0.88 0.47 -0.00 0.00 0.00 175.17 175.50 2oxg n ASP 3 N -1.12 -3.69 -4.47 0.27 10.43 -1.26 -4.91 116.55 111.80 2oxg n ASP 3 Ca 0.10 -0.82 -0.44 0.00 2.57 0.00 0.00 54.79 56.20 2oxg n ASP 3 Cb 0.51 -3.77 -0.01 0.00 1.84 0.00 0.00 41.12 39.70 2oxg n ASP 3 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2oxg s ALA 4 N -3.41 3.73 -0.37 2.24 0.00 -1.26 -4.66 121.76 118.02 2oxg s ALA 4 Ca 0.50 -3.13 -0.19 0.00 0.00 0.00 0.00 51.96 49.14 2oxg s ALA 4 Cb -0.25 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.71 2oxg s ALA 4 CO 0.84 -2.90 0.57 0.15 0.00 0.00 0.00 175.76 174.42 2oxg s LYS 5 N 2.21 3.54 0.48 0.00 1.02 -1.26 -4.79 119.74 120.94 2oxg s LYS 5 Ca 0.41 -0.17 -0.20 0.00 0.02 0.00 0.00 55.97 56.03 2oxg s LYS 5 Cb -0.03 -3.84 -0.09 0.00 -0.52 0.00 0.00 37.83 33.35 2oxg s LYS 5 CO -0.02 -0.75 1.02 -1.25 -0.92 0.00 0.00 175.35 173.43 2oxg s PRO 6 N 2.55 3.86 -0.11 -1.68 0.04 -1.26 -2.38 135.00 136.02 2oxg s PRO 6 Ca 0.21 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.52 2oxg s PRO 6 Cb -0.15 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2oxg s PRO 6 CO 0.15 -0.38 0.19 1.03 0.04 0.00 0.00 177.00 178.03 2oxg s ARG 7 N -3.26 0.07 0.10 4.56 0.52 0.15 -4.98 118.95 116.11 2oxg s ARG 7 Ca 0.66 0.56 0.10 0.00 -0.52 0.00 0.00 55.73 56.54 2oxg s ARG 7 Cb -0.15 -0.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 2oxg s ARG 7 CO 0.19 -0.34 -0.25 0.14 0.02 0.00 0.00 175.30 175.06 2oxg s VAL 8 N 2.32 2.34 -0.14 3.52 -7.23 -1.26 -0.51 120.40 119.44 2oxg s VAL 8 Ca 0.03 -1.60 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2oxg s VAL 8 Cb -0.12 -2.01 0.03 0.00 0.56 0.00 0.00 36.38 34.84 2oxg s VAL 8 CO -0.07 0.18 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.28 2oxg s LYS 9 N -1.82 1.68 -0.05 4.82 -0.14 0.50 -5.00 119.74 119.73 2oxg s LYS 9 Ca 0.14 -0.42 -0.12 0.00 -1.36 0.00 0.00 55.97 54.21 2oxg s LYS 9 Cb -0.10 -1.85 0.02 0.00 -1.68 0.00 0.00 37.83 34.22 2oxg s LYS 9 CO 0.05 -0.32 0.28 0.08 -0.76 0.00 0.00 175.35 174.69 2oxg s VAL 10 N 1.63 0.04 0.49 3.17 1.01 -1.26 -1.33 120.40 124.15 2oxg s VAL 10 Ca 0.03 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 2oxg s VAL 10 Cb -0.14 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 2oxg s VAL 10 CO -0.09 -0.19 1.35 -2.84 0.00 0.00 0.00 175.10 173.34 2oxg s PRO 11 N -0.83 3.46 0.51 2.72 0.02 -1.26 -4.91 135.00 134.71 2oxg s PRO 11 Ca -0.09 2.23 0.30 0.00 0.02 0.00 0.00 61.00 63.46 2oxg s PRO 11 Cb -0.05 -2.45 1.03 0.00 0.02 0.00 0.00 34.50 33.05 2oxg s PRO 11 CO 0.03 -0.93 1.86 0.66 -0.33 0.00 0.00 177.00 178.28 2oxg h SER 12 N 1.92 0.00 -5.13 2.53 4.64 -1.95 -3.46 113.55 112.10 2oxg h SER 12 Ca -0.51 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 2oxg h SER 12 Cb 1.28 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.20 2oxg h SER 12 CO 0.59 0.00 -0.52 -0.94 -0.87 0.00 0.00 176.83 175.10 2oxg s SER 13 N -5.81 0.22 -0.00 4.97 1.04 -1.26 -0.56 113.70 112.30 2oxg s SER 13 Ca 0.03 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.66 2oxg s SER 13 Cb 0.08 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.47 2oxg s SER 13 CO 0.58 -0.57 0.37 0.00 0.98 0.00 0.00 173.24 174.60 2oxg s ALA 14 N -3.09 -0.92 0.47 5.32 0.00 -0.31 -4.91 121.76 118.33 2oxg s ALA 14 Ca -0.01 0.39 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 2oxg s ALA 14 Cb 0.02 0.15 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 2oxg s ALA 14 CO -0.07 -0.33 1.20 0.15 0.00 0.00 0.00 175.76 176.71 2oxg s LYS 15 N -1.67 3.65 -0.26 0.00 3.01 -1.26 -4.27 119.74 118.95 2oxg s LYS 15 Ca -0.11 1.85 -0.30 0.00 -1.01 0.00 0.00 55.97 56.40 2oxg s LYS 15 Cb -0.03 -2.38 -0.07 0.00 -1.01 0.00 0.00 37.83 34.33 2oxg s LYS 15 CO 0.03 -0.66 2.21 0.00 0.51 0.00 0.00 175.35 177.44 2oxg n ALA 16 N -0.58 1.56 0.00 5.17 0.00 -1.26 -0.50 120.51 124.90 2oxg n ALA 16 Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2oxg n ALA 16 Cb 0.47 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2oxg n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oxg n GLY 17 N 6.00 0.53 3.78 0.00 0.00 0.43 -4.95 105.19 110.98 2oxg n GLY 17 Ca 0.33 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 2oxg n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2oxg s GLU 18 N -0.88 3.99 -0.07 1.61 2.12 0.34 -4.64 118.70 121.17 2oxg s GLU 18 Ca 0.00 1.57 -0.22 0.00 0.36 0.00 0.00 54.97 56.69 2oxg s GLU 18 Cb 0.00 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 2oxg s GLU 18 CO 0.00 -0.30 0.62 0.99 -0.54 0.00 0.00 175.26 176.03 2oxg s THR 19 N -1.66 5.07 -0.00 -1.70 2.01 -1.26 -1.56 115.64 116.53 2oxg s THR 19 Ca 0.61 1.28 0.07 0.00 0.31 0.00 0.00 61.69 63.95 2oxg s THR 19 Cb -0.23 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 2oxg s THR 19 CO 0.29 0.29 -0.23 0.68 -0.69 0.00 0.00 174.62 174.96 2oxg s VAL 20 N 0.64 1.80 0.06 3.82 -7.23 -0.57 -4.98 120.40 113.93 2oxg s VAL 20 Ca 0.33 -1.03 -0.28 0.00 -1.81 0.00 0.00 61.98 59.19 2oxg s VAL 20 Cb -0.17 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 2oxg s VAL 20 CO 0.16 0.46 0.89 -0.89 -0.31 0.00 0.00 175.10 175.40 2oxg s THR 21 N -0.59 4.68 -0.10 5.32 2.01 -1.26 -1.18 115.64 124.51 2oxg s THR 21 Ca 0.09 1.90 0.01 0.00 0.31 0.00 0.00 61.69 64.00 2oxg s THR 21 Cb -0.09 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 2oxg s THR 21 CO -0.00 0.29 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 2oxg s VAL 22 N 0.24 3.05 -0.07 3.82 1.01 0.64 -4.55 120.40 124.54 2oxg s VAL 22 Ca 0.45 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2oxg s VAL 22 Cb -0.22 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2oxg s VAL 22 CO 0.27 0.55 -0.18 -0.54 0.00 0.00 0.00 175.10 175.19 2oxg s LYS 23 N -0.02 2.25 -0.05 2.72 1.02 -0.44 -1.82 119.74 123.39 2oxg s LYS 23 Ca -0.03 -0.65 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 2oxg s LYS 23 Cb -0.14 -1.80 0.03 0.00 -0.52 0.00 0.00 37.83 35.40 2oxg s LYS 23 CO 0.04 0.15 0.02 0.00 -0.92 0.00 0.00 175.35 174.64 2oxg s ALA 24 N 0.36 0.49 0.06 5.17 0.00 0.13 -0.37 121.76 127.59 2oxg s ALA 24 Ca -0.13 0.03 0.06 0.00 0.00 0.00 0.00 51.96 51.92 2oxg s ALA 24 Cb -0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2oxg s ALA 24 CO 0.05 -0.38 -0.18 -1.17 0.00 0.00 0.00 175.76 174.08 2oxg s LEU 25 N 1.81 2.21 0.00 0.00 2.96 0.33 -0.90 118.68 125.10 2oxg s LEU 25 Ca 0.02 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2oxg s LEU 25 Cb -0.12 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 2oxg s LEU 25 CO -0.04 0.08 0.03 -0.51 -1.32 0.00 0.00 176.35 174.59 2oxg s ILE 26 N -0.93 0.07 -0.12 6.68 2.07 -0.97 -0.67 121.20 127.32 2oxg s ILE 26 Ca 0.04 -0.60 -0.26 0.00 -1.41 0.00 0.00 60.65 58.43 2oxg s ILE 26 Cb -0.09 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.23 2oxg s ILE 26 CO 0.02 -0.33 0.85 -0.94 -1.91 0.00 0.00 174.94 172.63 2oxg s SER 27 N -1.01 7.04 -0.28 4.50 1.04 -1.00 -3.17 113.70 120.82 2oxg s SER 27 Ca -0.11 1.28 -0.24 0.00 0.48 0.00 0.00 55.95 57.36 2oxg s SER 27 Cb -0.07 -2.47 0.11 0.00 0.10 0.00 0.00 66.02 63.69 2oxg s SER 27 CO -0.00 -0.34 0.92 -2.28 0.98 0.00 0.00 173.24 172.52 2oxg s HIS 28 N 1.77 -0.60 0.41 5.02 5.04 -1.26 -4.19 115.29 121.48 2oxg s HIS 28 Ca 0.41 1.42 0.13 0.00 -1.54 0.00 0.00 55.06 55.48 2oxg s HIS 28 Cb -0.17 0.35 0.86 0.00 0.04 0.00 0.00 32.58 33.66 2oxg s HIS 28 CO 0.16 -0.29 1.92 0.87 -2.34 0.00 0.00 174.74 175.05 2oxg h LYS 29 N 4.73 0.05 -6.43 2.88 1.57 -1.95 0.09 116.57 117.51 2oxg h LYS 29 Ca -0.29 -0.01 -0.49 0.00 -1.87 0.00 0.00 60.65 57.99 2oxg h LYS 29 Cb 1.18 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 2oxg h LYS 29 CO 0.10 0.29 -0.87 -1.33 -0.57 0.00 0.00 179.45 177.07 2oxg n MET 30 N -4.24 -3.59 -1.68 3.15 2.81 -1.26 -4.61 117.12 107.71 2oxg n MET 30 Ca -0.02 0.44 -0.47 0.00 -1.81 0.00 0.00 57.70 55.84 2oxg n MET 30 Cb 0.31 -4.66 -0.04 0.00 -0.71 0.00 0.00 33.22 28.11 2oxg n MET 30 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2oxg n GLU 31 N -4.38 2.21 0.08 0.03 4.07 -0.93 -4.84 120.64 116.87 2oxg n GLU 31 Ca -0.30 0.81 -0.05 0.00 -0.06 0.00 0.00 57.16 57.56 2oxg n GLU 31 Cb 0.68 -2.64 -0.09 0.00 -0.06 0.00 0.00 31.44 29.34 2oxg n GLU 31 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2oxg h SER 32 N 8.32 0.00 0.00 4.31 4.64 -1.86 0.47 113.55 129.43 2oxg h SER 32 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2oxg h SER 32 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2oxg h SER 32 CO 0.93 0.90 0.00 0.61 -0.87 0.00 0.00 176.83 178.40 2oxg n GLY 33 N 1.31 0.69 0.00 -0.77 0.00 -1.22 -4.51 105.19 100.69 2oxg n GLY 33 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2oxg n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oxg n GLN 34 N -2.06 1.56 -2.79 1.61 1.13 -1.26 -4.73 117.38 110.83 2oxg n GLN 34 Ca 0.00 -0.06 -0.34 0.00 -1.94 0.00 0.00 57.00 54.66 2oxg n GLN 34 Cb 0.00 -1.22 -0.07 0.00 0.11 0.00 0.00 30.24 29.06 2oxg n GLN 34 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2oxg s ARG 35 N -2.58 4.25 -0.92 -1.09 3.00 -1.26 -4.90 118.95 115.44 2oxg s ARG 35 Ca 0.00 1.17 -0.04 0.00 0.00 0.00 0.00 55.73 56.86 2oxg s ARG 35 Cb 0.09 -2.26 0.23 0.00 0.00 0.00 0.00 34.95 33.01 2oxg s ARG 35 CO 0.55 -0.02 0.83 0.15 0.00 0.00 0.00 175.30 176.81 2oxg s LYS 36 N -3.02 3.45 0.00 3.54 1.02 -1.26 -4.72 119.74 118.75 2oxg s LYS 36 Ca 0.61 -3.17 0.00 0.00 0.02 0.00 0.00 55.97 53.43 2oxg s LYS 36 Cb -0.11 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.10 2oxg s LYS 36 CO 0.15 -1.25 0.00 -0.89 -0.92 0.00 0.00 175.35 172.44 2oxg n ILE 43 N 2.59 0.00 -1.88 2.17 5.41 -1.26 -5.26 119.36 121.12 2oxg n ILE 43 Ca 0.20 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.58 2oxg n ILE 43 Cb 0.38 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.35 2oxg n ILE 43 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2oxg s PRO 44 N 0.00 3.10 0.29 0.38 0.02 -1.26 -3.42 135.00 134.11 2oxg s PRO 44 Ca 0.00 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 62.79 2oxg s PRO 44 Cb 0.00 -2.15 -0.12 0.00 0.02 0.00 0.00 34.50 32.25 2oxg s PRO 44 CO 0.00 -1.17 1.52 -2.13 -0.33 0.00 0.00 177.00 174.89 2oxg n ARG 45 N -1.20 2.52 -3.25 5.54 0.63 -1.26 -4.31 116.66 115.33 2oxg n ARG 45 Ca 0.11 0.89 -0.04 0.00 -0.92 0.00 0.00 57.85 57.90 2oxg n ARG 45 Cb 0.47 -2.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.71 2oxg n ARG 45 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2oxg s SER 46 N 0.33 -0.48 0.30 6.15 0.15 0.15 -4.90 113.70 115.41 2oxg s SER 46 Ca 0.63 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.98 2oxg s SER 46 Cb -0.53 1.48 -0.06 0.00 -1.71 0.00 0.00 66.02 65.20 2oxg s SER 46 CO 0.51 -0.30 -0.04 0.27 1.20 0.00 0.00 173.24 174.88 2oxg s ILE 47 N 2.43 1.66 -0.09 6.45 -4.36 -1.26 -2.19 121.20 123.84 2oxg s ILE 47 Ca 0.11 -2.10 -0.30 0.00 -0.26 0.00 0.00 60.65 58.10 2oxg s ILE 47 Cb -0.11 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 2oxg s ILE 47 CO -0.23 -0.22 1.35 -0.63 0.24 0.00 0.00 174.94 175.45 2oxg s ILE 48 N -2.99 4.05 -1.32 8.37 1.01 -1.26 -0.36 121.20 128.69 2oxg s ILE 48 Ca 0.31 1.32 0.17 0.00 0.00 0.00 0.00 60.65 62.46 2oxg s ILE 48 Cb 0.05 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 2oxg s ILE 48 CO 0.13 -0.07 0.84 -0.46 0.00 0.00 0.00 174.94 175.38 2oxg n ASN 49 N 6.21 1.39 -3.63 3.58 0.23 0.18 -4.74 115.26 118.48 2oxg n ASN 49 Ca 0.14 -1.19 -0.15 0.00 -0.53 0.00 0.00 54.58 52.85 2oxg n ASN 49 Cb 0.44 0.67 -0.07 0.00 -2.08 0.00 0.00 39.78 38.74 2oxg n ASN 49 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 2oxg s ARG 50 N -2.25 0.82 -0.03 -3.83 3.52 -1.22 -0.76 118.95 115.20 2oxg s ARG 50 Ca 0.12 0.75 0.02 0.00 -0.13 0.00 0.00 55.73 56.48 2oxg s ARG 50 Cb 0.14 0.40 0.01 0.00 -1.56 0.00 0.00 34.95 33.94 2oxg s ARG 50 CO 0.54 -0.14 -0.06 0.12 -0.81 0.00 0.00 175.30 174.95 2oxg s PHE 51 N -0.01 0.78 0.08 5.12 5.36 -0.59 -1.21 117.98 127.51 2oxg s PHE 51 Ca -0.03 -0.21 0.06 0.00 -0.96 0.00 0.00 56.93 55.80 2oxg s PHE 51 Cb -0.04 -0.63 -0.03 0.00 -0.34 0.00 0.00 43.02 41.98 2oxg s PHE 51 CO 0.03 -0.14 -0.15 0.95 -1.46 0.00 0.00 175.22 174.44 2oxg s THR 52 N 0.56 1.24 -0.05 0.12 -4.23 0.40 -0.20 115.64 113.48 2oxg s THR 52 Ca -0.08 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2oxg s THR 52 Cb -0.11 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.55 2oxg s THR 52 CO 0.00 -0.20 -0.09 0.00 -0.54 0.00 0.00 174.62 173.79 2oxg s GLU 54 N 0.72 1.35 -0.15 0.00 2.02 -0.09 -0.47 118.70 122.07 2oxg s GLU 54 Ca -0.13 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2oxg s GLU 54 Cb -0.15 -1.72 0.02 0.00 0.10 0.00 0.00 34.13 32.39 2oxg s GLU 54 CO 0.02 0.41 -0.15 -1.17 0.02 0.00 0.00 175.26 174.39 2oxg s LEU 55 N -1.88 1.75 -1.51 1.80 2.96 -0.08 -0.83 118.68 120.88 2oxg s LEU 55 Ca 0.11 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2oxg s LEU 55 Cb -0.10 -1.22 0.06 0.00 0.50 0.00 0.00 46.19 45.42 2oxg s LEU 55 CO 0.05 -0.05 0.55 0.59 -1.32 0.00 0.00 176.35 176.17 2oxg n ASN 56 N 4.75 -1.46 0.00 3.68 3.02 -0.46 -1.55 115.26 123.24 2oxg n ASN 56 Ca -0.18 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2oxg n ASN 56 Cb 0.50 -2.96 0.00 0.00 -0.61 0.00 0.00 39.78 36.71 2oxg n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oxg n GLY 57 N -1.81 0.41 3.41 7.41 0.00 -1.26 -5.00 105.19 108.34 2oxg n GLY 57 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 2oxg n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oxg s VAL 58 N -1.96 3.17 0.23 1.61 1.01 -0.59 -5.07 120.40 118.80 2oxg s VAL 58 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2oxg s VAL 58 Cb 0.00 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.96 2oxg s VAL 58 CO 0.00 0.53 1.44 0.21 0.00 0.00 0.00 175.10 177.29 2oxg s ASN 59 N 0.15 6.66 -0.13 3.32 3.84 -1.26 -0.91 114.94 126.61 2oxg s ASN 59 Ca -0.06 2.64 -0.11 0.00 0.21 0.00 0.00 52.86 55.54 2oxg s ASN 59 Cb -0.15 -2.62 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2oxg s ASN 59 CO 0.05 -0.70 -0.21 0.52 -2.79 0.00 0.00 177.10 173.96 2oxg n VAL 60 N 2.55 1.23 -4.05 -5.21 0.31 0.38 -4.87 118.33 108.67 2oxg n VAL 60 Ca 0.08 0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.54 2oxg n VAL 60 Cb 0.40 -2.24 -0.11 0.00 -0.91 0.00 0.00 33.84 30.98 2oxg n VAL 60 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2oxg s VAL 61 N -2.28 0.32 -0.16 2.52 -7.23 -1.10 -5.01 120.40 107.47 2oxg s VAL 61 Ca -0.17 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 2oxg s VAL 61 Cb 0.02 -0.78 0.06 0.00 0.56 0.00 0.00 36.38 36.24 2oxg s VAL 61 CO 0.26 -0.61 0.07 -0.62 -0.31 0.00 0.00 175.10 173.88 2oxg s ASP 62 N -1.98 2.36 -0.20 4.85 -1.08 -1.26 -1.44 116.67 117.92 2oxg s ASP 62 Ca -0.06 -0.59 -0.03 0.00 -0.52 0.00 0.00 52.55 51.35 2oxg s ASP 62 Cb -0.05 -0.33 -0.01 0.00 -1.46 0.00 0.00 42.92 41.07 2oxg s ASP 62 CO -0.03 -0.32 -0.06 -0.69 0.52 0.00 0.00 175.17 174.59 2oxg s VAL 63 N 2.06 3.33 -0.12 1.11 1.01 0.72 -4.99 120.40 123.52 2oxg s VAL 63 Ca 0.02 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 2oxg s VAL 63 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2oxg s VAL 63 CO -0.08 0.44 0.76 0.00 0.00 0.00 0.00 175.10 176.22 2oxg s ALA 64 N 1.27 3.42 -0.12 5.51 0.00 -1.26 -1.55 121.76 129.03 2oxg s ALA 64 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2oxg s ALA 64 Cb -0.14 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2oxg s ALA 64 CO -0.02 -0.37 -0.18 0.42 0.00 0.00 0.00 175.76 175.61 2oxg s ILE 65 N 1.45 2.59 0.43 0.00 1.01 0.06 -4.97 121.20 121.76 2oxg s ILE 65 Ca 0.38 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.28 2oxg s ILE 65 Cb -0.17 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2oxg s ILE 65 CO 0.16 0.54 0.32 -1.81 0.00 0.00 0.00 174.94 174.15 2oxg s ASP 66 N 0.42 4.84 0.00 3.58 -0.00 -1.26 -4.54 116.67 119.71 2oxg s ASP 66 Ca -0.13 -0.88 0.05 0.00 -0.00 0.00 0.00 52.55 51.59 2oxg s ASP 66 Cb -0.17 -0.47 0.25 0.00 -0.00 0.00 0.00 42.92 42.53 2oxg s ASP 66 CO 0.06 -0.66 1.04 -2.65 -0.00 0.00 0.00 175.17 172.96 2oxg n PRO 67 N -1.48 0.06 0.00 8.23 -0.02 -1.26 -1.83 135.00 138.70 2oxg n PRO 67 Ca 0.02 0.28 0.15 0.00 -2.02 0.00 0.00 63.50 61.93 2oxg n PRO 67 Cb 0.63 -1.50 0.74 0.00 -0.02 0.00 0.00 33.50 33.35 2oxg n PRO 67 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oxg n ALA 68 N -1.34 2.60 -1.77 3.55 0.00 -1.26 -4.77 120.51 117.53 2oxg n ALA 68 Ca 0.02 -0.19 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 2oxg n ALA 68 Cb 0.05 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 2oxg n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oxg s VAL 69 N -2.45 3.30 0.78 0.00 1.01 -0.76 -4.98 120.40 117.30 2oxg s VAL 69 Ca 0.32 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 2oxg s VAL 69 Cb 0.20 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 33.05 2oxg s VAL 69 CO 0.45 0.08 1.12 -0.94 0.00 0.00 0.00 175.10 175.81 2oxg s SER 70 N -1.22 4.27 0.37 3.32 1.04 -1.26 -4.97 113.70 115.24 2oxg s SER 70 Ca 0.57 1.97 -0.25 0.00 0.48 0.00 0.00 55.95 58.72 2oxg s SER 70 Cb -0.29 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.16 2oxg s SER 70 CO 0.36 -2.19 0.74 0.41 0.98 0.00 0.00 173.24 173.53 2oxg n THR 71 N -3.39 1.97 -3.39 2.02 -1.04 -1.26 -2.98 114.28 106.20 2oxg n THR 71 Ca 0.10 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.48 2oxg n THR 71 Cb 0.52 -0.70 0.01 0.00 -1.82 0.00 0.00 70.33 68.34 2oxg n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2oxg n ASN 72 N 1.19 -6.45 -4.71 8.00 3.02 0.02 -4.85 115.26 111.48 2oxg n ASN 72 Ca 0.11 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 2oxg n ASN 72 Cb 0.36 -3.92 -0.01 0.00 -0.61 0.00 0.00 39.78 35.60 2oxg n ASN 72 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2oxg n PRO 73 N -2.53 2.20 -4.65 3.52 -0.04 -1.16 -4.63 135.00 127.72 2oxg n PRO 73 Ca -0.11 0.77 -0.25 0.00 -0.04 0.00 0.00 63.50 63.87 2oxg n PRO 73 Cb 0.58 -2.38 -0.16 0.00 -0.04 0.00 0.00 33.50 31.50 2oxg n PRO 73 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2oxg s TYR 74 N -1.04 1.53 -0.03 0.54 5.04 -1.26 -2.30 117.35 119.83 2oxg s TYR 74 Ca 0.56 -0.54 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 2oxg s TYR 74 Cb -0.56 -1.10 0.00 0.00 0.35 0.00 0.00 41.96 40.66 2oxg s TYR 74 CO 0.62 -0.26 -0.09 -0.06 -1.34 0.00 0.00 175.55 174.42 2oxg s PHE 75 N 0.53 0.93 -0.02 4.97 0.40 -0.07 -5.00 117.98 119.72 2oxg s PHE 75 Ca -0.13 -0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 2oxg s PHE 75 Cb -0.15 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 2oxg s PHE 75 CO 0.04 -0.10 -0.12 -2.00 0.70 0.00 0.00 175.22 173.74 2oxg s GLU 76 N 0.20 1.04 0.14 0.44 2.12 -1.26 -0.70 118.70 120.68 2oxg s GLU 76 Ca -0.03 -0.42 -0.24 0.00 0.36 0.00 0.00 54.97 54.64 2oxg s GLU 76 Cb -0.08 -0.98 0.08 0.00 0.26 0.00 0.00 34.13 33.40 2oxg s GLU 76 CO 0.00 0.23 1.07 -0.59 -0.54 0.00 0.00 175.26 175.44 2oxg s PHE 77 N -0.16 0.03 -0.08 5.30 -0.12 -0.75 -5.01 117.98 117.18 2oxg s PHE 77 Ca 0.02 -0.36 0.03 0.00 -0.05 0.00 0.00 56.93 56.57 2oxg s PHE 77 Cb -0.06 0.66 0.01 0.00 -0.63 0.00 0.00 43.02 43.00 2oxg s PHE 77 CO -0.00 -0.79 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.71 2oxg s ASP 78 N -3.34 2.19 0.04 1.98 1.01 -1.26 -0.26 116.67 117.03 2oxg s ASP 78 Ca 0.21 -0.38 0.05 0.00 0.71 0.00 0.00 52.55 53.13 2oxg s ASP 78 Cb -0.02 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.87 2oxg s ASP 78 CO 0.03 0.07 -0.09 0.00 0.21 0.00 0.00 175.17 175.39 2oxg s ALA 79 N 0.59 2.93 -0.25 5.23 0.00 -0.33 -4.95 121.76 124.98 2oxg s ALA 79 Ca -0.15 -1.11 -0.15 0.00 0.00 0.00 0.00 51.96 50.54 2oxg s ALA 79 Cb -0.16 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2oxg s ALA 79 CO 0.05 0.62 0.37 0.21 0.00 0.00 0.00 175.76 177.01 2oxg s LYS 80 N -1.65 4.05 -0.48 0.00 2.20 -1.26 -1.52 119.74 121.09 2oxg s LYS 80 Ca 0.18 0.06 -0.15 0.00 -0.36 0.00 0.00 55.97 55.71 2oxg s LYS 80 Cb -0.11 -3.62 0.08 0.00 -1.51 0.00 0.00 37.83 32.67 2oxg s LYS 80 CO 0.09 -0.21 0.39 0.08 -0.36 0.00 0.00 175.35 175.35 2oxg s VAL 81 N 1.86 5.10 -0.08 4.02 1.01 -0.60 -4.90 120.40 126.81 2oxg s VAL 81 Ca 0.15 -1.18 0.09 0.00 0.00 0.00 0.00 61.98 61.05 2oxg s VAL 81 Cb -0.15 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 2oxg s VAL 81 CO 0.09 -0.62 0.52 0.47 0.00 0.00 0.00 175.10 175.57 2oxg n ASP 82 N 5.17 1.05 -3.84 3.32 8.00 -1.26 0.16 116.55 129.15 2oxg n ASP 82 Ca -0.12 0.32 -0.10 0.00 0.71 0.00 0.00 54.79 55.60 2oxg n ASP 82 Cb 0.43 -0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 2oxg n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oxg s ALA 83 N -2.58 -0.33 0.81 2.24 0.00 -1.26 -4.37 121.76 116.27 2oxg s ALA 83 Ca -0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 2oxg s ALA 83 Cb 0.08 0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.64 2oxg s ALA 83 CO 0.81 -0.42 1.15 0.00 0.00 0.00 0.00 175.76 177.30 2oxg n ALA 84 N 0.40 -0.20 0.00 0.00 0.00 -1.26 -4.88 120.51 114.57 2oxg n ALA 84 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2oxg n ALA 84 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2oxg n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oxg n GLY 85 N 0.62 -0.30 3.14 0.00 0.00 -0.78 -5.01 105.19 102.86 2oxg n GLY 85 Ca 0.13 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2oxg n GLY 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2oxg s GLU 86 N -1.28 0.47 0.14 1.61 -1.05 -1.26 -0.91 118.70 116.42 2oxg s GLU 86 Ca 0.00 -0.16 -0.24 0.00 -0.15 0.00 0.00 54.97 54.42 2oxg s GLU 86 Cb 0.00 0.20 -0.08 0.00 -0.44 0.00 0.00 34.13 33.82 2oxg s GLU 86 CO 0.00 -0.11 0.73 -0.06 0.95 0.00 0.00 175.26 176.77 2oxg s PHE 87 N -0.97 3.88 -0.14 4.83 0.40 0.72 -1.35 117.98 125.36 2oxg s PHE 87 Ca -0.11 1.55 0.02 0.00 -0.60 0.00 0.00 56.93 57.80 2oxg s PHE 87 Cb -0.05 -2.71 0.01 0.00 0.51 0.00 0.00 43.02 40.78 2oxg s PHE 87 CO 0.02 0.53 -0.19 0.21 0.70 0.00 0.00 175.22 176.49 2oxg s LYS 88 N -1.11 2.68 -0.12 0.44 2.20 -0.01 -1.04 119.74 122.79 2oxg s LYS 88 Ca 0.34 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 55.21 2oxg s LYS 88 Cb -0.22 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.82 2oxg s LYS 88 CO 0.25 -0.08 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.06 2oxg s PHE 89 N 1.00 3.02 -0.03 4.03 0.40 0.24 -0.92 117.98 125.73 2oxg s PHE 89 Ca -0.04 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 2oxg s PHE 89 Cb -0.15 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.53 2oxg s PHE 89 CO -0.04 0.13 -0.05 0.99 0.70 0.00 0.00 175.22 176.95 2oxg s THR 90 N -0.13 0.50 -0.05 0.64 2.01 -0.06 -1.18 115.64 117.38 2oxg s THR 90 Ca 0.02 -0.18 0.06 0.00 0.31 0.00 0.00 61.69 61.90 2oxg s THR 90 Cb -0.13 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 2oxg s THR 90 CO 0.03 0.18 -0.22 0.26 -0.69 0.00 0.00 174.62 174.18 2oxg s TRP 91 N 0.44 2.12 -0.17 4.92 0.51 0.06 -0.46 118.94 126.37 2oxg s TRP 91 Ca -0.06 -0.60 -0.01 0.00 -2.12 0.00 0.00 56.10 53.31 2oxg s TRP 91 Cb -0.09 -1.40 -0.01 0.00 -0.81 0.00 0.00 33.47 31.16 2oxg s TRP 91 CO -0.00 -0.18 -0.12 0.71 -0.51 0.00 0.00 176.95 176.85 2oxg s TYR 92 N -0.13 2.84 0.00 -1.98 1.51 -0.35 -1.10 117.35 118.15 2oxg s TYR 92 Ca -0.02 -0.95 -0.13 0.00 -1.01 0.00 0.00 57.07 54.96 2oxg s TYR 92 Cb -0.12 -1.94 -0.06 0.00 -0.11 0.00 0.00 41.96 39.73 2oxg s TYR 92 CO 0.03 -0.45 0.38 0.34 -1.11 0.00 0.00 175.55 174.73 2oxg s ASP 93 N 0.92 6.73 0.46 2.29 3.68 -0.35 -0.64 116.67 129.75 2oxg s ASP 93 Ca -0.03 0.88 0.28 0.00 2.13 0.00 0.00 52.55 55.81 2oxg s ASP 93 Cb -0.15 -2.22 1.34 0.00 -1.45 0.00 0.00 42.92 40.44 2oxg s ASP 93 CO -0.01 0.31 1.75 0.44 0.13 0.00 0.00 175.17 177.79 2oxg h ASP 94 N 4.55 0.24 -0.03 -0.34 3.32 -1.02 -0.95 116.42 122.19 2oxg h ASP 94 Ca -0.52 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2oxg h ASP 94 Cb 1.22 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2oxg h ASP 94 CO 0.62 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 2oxg n ASP 95 N -4.46 0.33 0.00 6.45 5.68 -1.26 -4.86 116.55 118.44 2oxg n ASP 95 Ca 0.28 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 2oxg n ASP 95 Cb 1.15 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.11 2oxg n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oxg n GLY 96 N 0.87 1.66 3.76 6.12 0.00 -0.36 -4.95 105.19 112.29 2oxg n GLY 96 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2oxg n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2oxg s SER 97 N -1.57 4.83 -0.04 1.61 0.01 -1.25 -4.83 113.70 112.46 2oxg s SER 97 Ca 0.00 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.28 2oxg s SER 97 Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 2oxg s SER 97 CO 0.00 -1.82 -0.04 -0.69 0.41 0.00 0.00 173.24 171.10 2oxg s VAL 98 N -2.42 0.51 -0.10 3.43 1.01 -1.26 -1.21 120.40 120.36 2oxg s VAL 98 Ca 0.67 -0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.55 2oxg s VAL 98 Cb -0.21 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2oxg s VAL 98 CO 0.45 0.21 -0.23 -0.31 0.00 0.00 0.00 175.10 175.22 2oxg s TYR 99 N 0.79 2.50 0.06 5.22 2.02 -0.26 -4.99 117.35 122.69 2oxg s TYR 99 Ca -0.10 -1.06 0.05 0.00 -0.37 0.00 0.00 57.07 55.59 2oxg s TYR 99 Cb -0.13 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2oxg s TYR 99 CO 0.00 -0.44 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.20 2oxg s GLU 100 N 0.43 0.83 -0.05 -0.62 2.02 -1.26 -0.76 118.70 119.28 2oxg s GLU 100 Ca -0.17 -0.87 -0.02 0.00 0.02 0.00 0.00 54.97 53.92 2oxg s GLU 100 Cb -0.18 -0.82 0.03 0.00 0.10 0.00 0.00 34.13 33.27 2oxg s GLU 100 CO 0.07 0.19 0.12 0.34 0.02 0.00 0.00 175.26 176.00 2oxg s ASP 101 N -1.53 -0.08 -0.08 -0.19 3.68 -0.33 -4.99 116.67 113.16 2oxg s ASP 101 Ca -0.01 0.24 0.03 0.00 2.13 0.00 0.00 52.55 54.94 2oxg s ASP 101 Cb -0.09 0.15 -0.02 0.00 -1.45 0.00 0.00 42.92 41.51 2oxg s ASP 101 CO 0.02 -0.13 -0.18 -0.69 0.13 0.00 0.00 175.17 174.32 2oxg s VAL 102 N 1.01 2.70 -0.04 1.11 1.01 -1.26 -0.59 120.40 124.33 2oxg s VAL 102 Ca -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2oxg s VAL 102 Cb -0.10 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2oxg s VAL 102 CO -0.05 0.56 0.02 -0.75 0.00 0.00 0.00 175.10 174.89 2oxg s LYS 103 N -0.20 0.19 0.54 2.72 2.20 -0.20 -4.99 119.74 120.01 2oxg s LYS 103 Ca -0.01 0.18 -0.17 0.00 -0.36 0.00 0.00 55.97 55.62 2oxg s LYS 103 Cb -0.13 -0.54 -0.06 0.00 -1.51 0.00 0.00 37.83 35.59 2oxg s LYS 103 CO 0.03 -0.22 1.02 -1.25 -0.36 0.00 0.00 175.35 174.57 2oxg s PRO 104 N 1.52 3.65 -0.05 4.03 0.04 -1.26 -0.20 135.00 142.73 2oxg s PRO 104 Ca -0.03 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.16 2oxg s PRO 104 Cb -0.13 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.35 2oxg s PRO 104 CO -0.03 -0.53 -0.06 -1.50 0.04 0.00 0.00 177.00 174.92 2oxg s ILE 105 N -2.42 0.64 0.21 0.56 2.07 -0.08 -4.78 121.20 117.39 2oxg s ILE 105 Ca 0.62 -0.18 -0.06 0.00 -1.41 0.00 0.00 60.65 59.62 2oxg s ILE 105 Cb -0.14 -0.64 -0.06 0.00 0.13 0.00 0.00 42.46 41.75 2oxg s ILE 105 CO 0.31 0.25 0.47 0.00 -1.91 0.00 0.00 174.94 174.06 2oxg s ALA 106 N 0.86 3.68 -2.73 1.50 0.00 0.28 -1.86 121.76 123.50 2oxg s ALA 106 Ca -0.12 -0.47 0.26 0.00 0.00 0.00 0.00 51.96 51.63 2oxg s ALA 106 Cb -0.15 -2.27 0.66 0.00 0.00 0.00 0.00 23.12 21.37 2oxg s ALA 106 CO 0.01 0.52 1.52 1.33 0.00 0.00 0.00 175.76 179.14