#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk s ALA 2 N 0.00 3.00 -0.19 0.00 0.00 -1.26 -4.94 121.76 118.37 2qbk s ALA 2 Ca 0.00 1.27 0.22 0.00 0.00 0.00 0.00 51.96 53.45 2qbk s ALA 2 Cb 0.00 -3.53 -0.30 0.00 0.00 0.00 0.00 23.12 19.30 2qbk s ALA 2 CO 0.00 -1.12 0.58 1.63 0.00 0.00 0.00 175.76 176.85 2qbk n LYS 3 N -0.58 0.56 -3.62 0.00 5.02 -1.26 -4.75 118.16 113.53 2qbk n LYS 3 Ca 0.08 -0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 2qbk n LYS 3 Cb 0.45 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 2qbk n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qbk s ILE 4 N -3.43 0.84 0.00 -0.18 -1.09 -1.26 -4.95 121.20 111.13 2qbk s ILE 4 Ca -0.05 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.33 2qbk s ILE 4 Cb 0.14 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 39.42 2qbk s ILE 4 CO 0.90 -0.89 0.00 0.54 -1.23 0.00 0.00 174.94 174.25 2qbk n ARG 5 N 3.95 -1.22 0.00 2.79 5.12 -1.26 -4.94 116.66 121.10 2qbk n ARG 5 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2qbk n ARG 5 Cb 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 2qbk n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qbk n ARG 6 N -1.57 0.00 -2.47 5.56 3.00 -1.26 -4.48 116.66 115.45 2qbk n ARG 6 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 2qbk n ARG 6 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2qbk n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbk s ASP 7 N -2.04 6.21 0.47 6.15 1.11 -1.23 -4.24 116.67 123.11 2qbk s ASP 7 Ca 0.00 -1.12 0.04 0.00 0.18 0.00 0.00 52.55 51.65 2qbk s ASP 7 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2qbk s ASP 7 CO 0.00 -1.77 0.05 -1.81 1.18 0.00 0.00 175.17 172.82 2qbk s ASP 8 N 5.32 4.11 -0.76 0.27 -0.00 -1.26 -4.84 116.67 119.51 2qbk s ASP 8 Ca 0.48 -1.49 -0.07 0.00 -0.00 0.00 0.00 52.55 51.48 2qbk s ASP 8 Cb -0.03 0.13 0.20 0.00 -0.00 0.00 0.00 42.92 43.22 2qbk s ASP 8 CO -0.04 -0.71 0.63 -0.70 -0.00 0.00 0.00 175.17 174.35 2qbk s GLU 9 N -3.85 3.11 0.43 8.23 2.56 -1.26 -2.10 118.70 125.82 2qbk s GLU 9 Ca 0.20 -2.65 -0.03 0.00 0.00 0.00 0.00 54.97 52.49 2qbk s GLU 9 Cb 0.04 -4.04 -0.04 0.00 2.00 0.00 0.00 34.13 32.09 2qbk s GLU 9 CO 0.11 -1.23 0.70 0.14 -0.56 0.00 0.00 175.26 174.42 2qbk s VAL 10 N -0.22 4.98 -0.17 3.70 -7.23 -1.12 0.27 120.40 120.60 2qbk s VAL 10 Ca 0.19 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.38 2qbk s VAL 10 Cb -0.15 -3.86 -0.13 0.00 0.56 0.00 0.00 36.38 32.80 2qbk s VAL 10 CO -0.07 -0.75 -0.12 0.00 -0.31 0.00 0.00 175.10 173.85 2qbk n ILE 11 N -2.09 1.02 -1.70 -0.62 0.00 0.36 -2.81 119.36 113.52 2qbk n ILE 11 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 62.75 62.29 2qbk n ILE 11 Cb 0.55 -1.04 -0.01 0.00 0.00 0.00 0.00 39.64 39.14 2qbk n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qbk n VAL 12 N -2.93 -6.28 -1.49 9.51 0.31 -1.26 -0.34 118.33 115.84 2qbk n VAL 12 Ca -0.30 1.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.85 2qbk n VAL 12 Cb 0.86 -4.36 0.13 0.00 -0.91 0.00 0.00 33.84 29.55 2qbk n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbk n LEU 13 N 0.62 5.87 0.00 7.52 -0.00 -0.49 -3.19 117.00 127.33 2qbk n LEU 13 Ca -0.09 -4.09 -0.18 0.00 -0.00 0.00 0.00 56.01 51.65 2qbk n LEU 13 Cb 0.13 -0.72 0.01 0.00 -0.00 0.00 0.00 43.42 42.84 2qbk n LEU 13 CO 0.08 1.45 0.10 1.07 -0.00 0.00 0.00 177.39 180.09 2qbk n THR 14 N -0.99 0.00 -0.89 1.47 5.66 -1.22 -4.94 114.28 113.37 2qbk n THR 14 Ca 0.50 -1.57 -0.30 0.00 -3.05 0.00 0.00 64.05 59.63 2qbk n THR 14 Cb 1.04 -0.25 0.25 0.00 -1.55 0.00 0.00 70.33 69.82 2qbk n THR 14 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2qbk s GLY 15 N -3.61 1.54 0.00 1.09 0.00 -1.26 -2.78 107.32 102.30 2qbk s GLY 15 Ca 0.28 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2qbk s GLY 15 CO 0.17 0.04 0.00 0.28 0.00 0.00 0.00 173.10 173.60 2qbk n LYS 16 N -4.96 0.00 -2.58 2.90 4.76 -1.26 -3.53 118.16 113.48 2qbk n LYS 16 Ca 0.12 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.13 2qbk n LYS 16 Cb 0.59 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.79 2qbk n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qbk n ASP 17 N 4.09 5.55 0.00 4.39 10.43 -1.26 -4.91 116.55 134.84 2qbk n ASP 17 Ca 0.00 -3.21 0.00 0.00 2.57 0.00 0.00 54.79 54.15 2qbk n ASP 17 Cb 0.00 -1.41 0.00 0.00 1.84 0.00 0.00 41.12 41.55 2qbk n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qbk n LYS 18 N 3.04 0.00 -1.50 -1.24 0.00 -1.12 -4.58 118.16 112.76 2qbk n LYS 18 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 58.23 2qbk n LYS 18 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.31 2qbk n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qbk n GLY 19 N 1.13 0.14 0.00 3.14 0.00 -1.19 -4.44 105.19 103.97 2qbk n GLY 19 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.91 2qbk n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbk n LYS 20 N 8.58 0.00 -3.56 1.61 3.00 0.53 -5.05 118.16 123.27 2qbk n LYS 20 Ca 0.46 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.71 2qbk n LYS 20 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.31 2qbk n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qbk s ARG 21 N 1.01 0.70 0.00 1.64 0.52 -1.24 -4.08 118.95 117.49 2qbk s ARG 21 Ca 0.00 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 2qbk s ARG 21 Cb 0.00 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.77 2qbk s ARG 21 CO 0.00 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.42 2qbk n GLY 22 N -0.24 3.09 3.63 -3.53 0.00 -1.12 -4.90 105.19 102.12 2qbk n GLY 22 Ca -0.06 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2qbk n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbk s LYS 23 N -2.00 3.95 -0.70 1.61 3.01 -1.24 -2.78 119.74 121.59 2qbk s LYS 23 Ca 0.00 0.94 -0.25 0.00 -1.01 0.00 0.00 55.97 55.64 2qbk s LYS 23 Cb 0.00 -3.80 -0.13 0.00 -1.01 0.00 0.00 37.83 32.89 2qbk s LYS 23 CO 0.00 -1.07 2.42 0.28 0.51 0.00 0.00 175.35 177.49 2qbk n VAL 24 N 6.20 -0.03 -0.28 3.17 0.31 -0.89 -1.43 118.33 125.37 2qbk n VAL 24 Ca 0.12 -0.60 0.09 0.00 -0.01 0.00 0.00 64.34 63.94 2qbk n VAL 24 Cb 0.48 -2.13 0.24 0.00 -0.91 0.00 0.00 33.84 31.51 2qbk n VAL 24 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2qbk h LYS 25 N 15.25 0.37 -1.62 5.55 1.57 0.18 -3.25 116.57 134.62 2qbk h LYS 25 Ca -0.09 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2qbk h LYS 25 Cb 1.12 -0.08 -0.26 0.00 0.08 0.00 0.00 32.23 33.09 2qbk h LYS 25 CO 1.12 0.25 0.36 1.21 -0.57 0.00 0.00 179.45 181.82 2qbk s ASN 26 N -5.25 -0.54 -0.15 0.86 2.47 -1.14 -4.76 114.94 106.42 2qbk s ASN 26 Ca -0.12 0.93 -0.12 0.00 0.42 0.00 0.00 52.86 53.97 2qbk s ASN 26 Cb 0.23 1.11 -0.05 0.00 -1.45 0.00 0.00 41.25 41.09 2qbk s ASN 26 CO 0.77 -0.15 0.22 0.54 -3.72 0.00 0.00 177.10 174.76 2qbk s VAL 27 N 0.92 5.35 -0.09 -5.21 0.11 -1.26 -0.68 120.40 119.55 2qbk s VAL 27 Ca -0.04 0.40 -0.09 0.00 -2.93 0.00 0.00 61.98 59.31 2qbk s VAL 27 Cb -0.04 -3.55 -0.05 0.00 -1.53 0.00 0.00 36.38 31.21 2qbk s VAL 27 CO -0.12 0.46 0.22 -0.76 -3.33 0.00 0.00 175.10 171.57 2qbk s LEU 28 N 0.07 4.41 0.23 2.54 1.43 0.40 -4.95 118.68 122.82 2qbk s LEU 28 Ca 0.14 0.61 0.12 0.00 -1.03 0.00 0.00 54.13 53.97 2qbk s LEU 28 Cb -0.12 -2.22 0.65 0.00 0.03 0.00 0.00 46.19 44.52 2qbk s LEU 28 CO 0.03 0.38 1.29 -1.54 0.23 0.00 0.00 176.35 176.73 2qbk n SER 29 N 1.96 0.31 0.26 2.29 3.41 -1.26 -0.15 113.62 120.44 2qbk n SER 29 Ca -0.18 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 2qbk n SER 29 Cb 0.54 -0.57 0.71 0.00 -0.26 0.00 0.00 64.21 64.63 2qbk n SER 29 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2qbk h SER 30 N 0.00 0.00 0.00 4.04 4.64 -2.04 -3.45 113.55 116.74 2qbk h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qbk h SER 30 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2qbk h SER 30 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2qbk n GLY 31 N -0.94 1.33 3.82 -0.77 0.00 0.78 -5.10 105.19 104.32 2qbk n GLY 31 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2qbk n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbk s LYS 32 N -0.25 3.14 0.36 1.61 1.02 -1.23 -1.85 119.74 122.56 2qbk s LYS 32 Ca 0.00 -0.49 0.08 0.00 0.02 0.00 0.00 55.97 55.58 2qbk s LYS 32 Cb 0.00 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 2qbk s LYS 32 CO 0.00 0.63 0.03 0.14 -0.92 0.00 0.00 175.35 175.23 2qbk s VAL 33 N -1.30 2.42 -0.33 3.17 -7.23 0.17 -0.46 120.40 116.85 2qbk s VAL 33 Ca 0.26 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2qbk s VAL 33 Cb -0.12 -2.85 0.10 0.00 0.56 0.00 0.00 36.38 34.07 2qbk s VAL 33 CO 0.18 -0.13 0.06 -0.63 -0.31 0.00 0.00 175.10 174.27 2qbk s ILE 34 N -2.57 1.89 0.36 -0.62 1.01 0.15 -0.04 121.20 121.36 2qbk s ILE 34 Ca 0.36 -2.08 -0.19 0.00 0.00 0.00 0.00 60.65 58.74 2qbk s ILE 34 Cb 0.03 -2.40 -0.10 0.00 0.01 0.00 0.00 42.46 40.00 2qbk s ILE 34 CO 0.19 -0.62 0.84 -0.69 0.00 0.00 0.00 174.94 174.66 2qbk s VAL 35 N 1.10 4.52 0.07 2.92 1.01 -1.26 0.84 120.40 129.60 2qbk s VAL 35 Ca 0.11 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 2qbk s VAL 35 Cb -0.19 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2qbk s VAL 35 CO -0.13 -0.18 1.75 -0.70 0.00 0.00 0.00 175.10 175.84 2qbk s GLU 36 N -2.91 4.17 -1.36 2.72 2.12 -0.51 -2.89 118.70 120.04 2qbk s GLU 36 Ca 0.56 2.43 -0.08 0.00 0.36 0.00 0.00 54.97 58.24 2qbk s GLU 36 Cb -0.11 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2qbk s GLU 36 CO 0.16 -0.81 0.44 0.41 -0.54 0.00 0.00 175.26 174.93 2qbk n GLY 37 N 4.15 -0.41 0.11 -1.50 0.00 -1.26 -4.65 105.19 101.62 2qbk n GLY 37 Ca 0.17 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.36 2qbk n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbk n ILE 38 N -4.48 0.49 -3.14 -0.61 0.13 -1.14 -4.84 119.36 105.78 2qbk n ILE 38 Ca -0.25 -0.18 -0.24 0.00 -1.10 0.00 0.00 62.75 60.98 2qbk n ILE 38 Cb 0.66 -0.88 -0.05 0.00 -0.84 0.00 0.00 39.64 38.53 2qbk n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qbk n ASN 39 N -2.82 2.58 -4.57 9.51 2.85 -1.26 -4.77 115.26 116.78 2qbk n ASN 39 Ca -0.16 -3.29 -0.28 0.00 -0.11 0.00 0.00 54.58 50.74 2qbk n ASN 39 Cb 0.66 -0.61 0.22 0.00 1.24 0.00 0.00 39.78 41.29 2qbk n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2qbk s LEU 40 N -2.65 1.21 0.00 1.20 1.02 -1.25 -1.40 118.68 116.81 2qbk s LEU 40 Ca 0.43 1.39 0.00 0.00 0.02 0.00 0.00 54.13 55.97 2qbk s LEU 40 Cb 0.26 -3.43 0.00 0.00 0.02 0.00 0.00 46.19 43.04 2qbk s LEU 40 CO -0.09 -3.72 0.00 1.33 0.02 0.00 0.00 176.35 173.88 2qbk n VAL 41 N -4.59 0.00 -2.27 -1.59 0.24 0.48 -4.81 118.33 105.78 2qbk n VAL 41 Ca 0.04 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.32 2qbk n VAL 41 Cb 0.55 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.95 2qbk n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qbk n LYS 42 N 0.00 0.43 -1.55 7.34 3.00 -1.26 -4.46 118.16 121.66 2qbk n LYS 42 Ca 0.00 -0.57 -0.52 0.00 -0.00 0.00 0.00 58.31 57.22 2qbk n LYS 42 Cb 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 35.03 35.30 2qbk n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2qbk n LYS 43 N -0.49 0.80 -2.51 1.64 0.00 -1.25 -4.53 118.16 111.82 2qbk n LYS 43 Ca -0.11 0.29 -0.43 0.00 0.00 0.00 0.00 58.31 58.06 2qbk n LYS 43 Cb 0.61 -1.78 0.01 0.00 0.00 0.00 0.00 35.03 33.87 2qbk n LYS 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2qbk n HIS 44 N 1.64 2.79 -0.94 5.64 8.25 -1.26 0.50 115.22 131.84 2qbk n HIS 44 Ca 0.17 -2.75 -0.39 0.00 -0.26 0.00 0.00 57.72 54.50 2qbk n HIS 44 Cb 0.19 -1.77 -0.09 0.00 1.12 0.00 0.00 29.99 29.44 2qbk n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2qbk n GLN 45 N 3.24 0.00 -2.66 -0.41 -0.06 -0.29 -4.81 117.38 112.39 2qbk n GLN 45 Ca 0.36 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.93 2qbk n GLN 45 Cb 0.36 -1.07 -0.02 0.00 -4.06 0.00 0.00 30.24 25.44 2qbk n GLN 45 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2qbk s LYS 46 N 4.89 4.31 1.24 3.69 2.20 -1.26 -2.94 119.74 131.87 2qbk s LYS 46 Ca 0.89 1.38 -0.17 0.00 -0.36 0.00 0.00 55.97 57.71 2qbk s LYS 46 Cb -1.02 -3.61 0.27 0.00 -1.51 0.00 0.00 37.83 31.96 2qbk s LYS 46 CO 0.44 -0.53 0.69 -0.35 -0.36 0.00 0.00 175.35 175.24 2qbk n PRO 47 N 5.88 -3.02 -3.13 4.03 -0.04 -1.26 -4.85 135.00 132.61 2qbk n PRO 47 Ca 0.11 -0.87 -0.20 0.00 -0.04 0.00 0.00 63.50 62.49 2qbk n PRO 47 Cb 0.47 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 2qbk n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2qbk n VAL 48 N -5.09 -0.47 -0.51 0.52 3.14 -1.26 -5.01 118.33 109.65 2qbk n VAL 48 Ca 0.05 -3.84 -0.08 0.00 -2.96 0.00 0.00 64.34 57.52 2qbk n VAL 48 Cb 0.56 -1.05 -0.08 0.00 -1.06 0.00 0.00 33.84 32.21 2qbk n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qbk n PRO 49 N 1.09 0.00 0.00 1.45 -0.02 -1.26 -4.45 135.00 131.81 2qbk n PRO 49 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2qbk n PRO 49 Cb 0.58 -0.34 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 2qbk n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbk n ALA 50 N 1.91 0.00 -1.44 3.55 0.00 -1.26 -5.08 120.51 118.18 2qbk n ALA 50 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.74 2qbk n ALA 50 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 2qbk n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbk n LEU 51 N 0.00 -1.34 -4.15 0.00 0.00 -1.26 -4.76 117.00 105.49 2qbk n LEU 51 Ca 0.00 2.55 -0.38 0.00 0.00 0.00 0.00 56.01 58.18 2qbk n LEU 51 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 43.42 40.47 2qbk n LEU 51 CO 0.00 -1.31 -0.29 0.59 0.00 0.00 0.00 177.39 176.38 2qbk n ASN 52 N -3.27 -1.82 -2.44 1.96 4.13 -1.26 -4.87 115.26 107.69 2qbk n ASN 52 Ca -0.04 -1.26 -0.20 0.00 1.68 0.00 0.00 54.58 54.76 2qbk n ASN 52 Cb 0.54 -1.83 0.02 0.00 -1.54 0.00 0.00 39.78 36.97 2qbk n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbk n GLN 53 N -4.78 2.86 0.40 3.52 0.00 -1.26 -4.63 117.38 113.48 2qbk n GLN 53 Ca -0.21 -4.08 -0.16 0.00 0.00 0.00 0.00 57.00 52.55 2qbk n GLN 53 Cb 0.63 -2.00 -0.07 0.00 0.00 0.00 0.00 30.24 28.80 2qbk n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2qbk h PRO 54 N 2.57 -0.98 0.00 2.61 0.13 -1.96 -3.39 132.00 130.99 2qbk h PRO 54 Ca 0.19 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2qbk h PRO 54 Cb 1.15 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2qbk h PRO 54 CO 0.69 -0.65 0.00 0.41 -0.23 0.00 0.00 178.00 178.22 2qbk n GLY 55 N -1.40 0.99 1.27 1.56 0.00 -1.26 -4.71 105.19 101.64 2qbk n GLY 55 Ca -0.13 -1.43 0.16 0.00 0.00 0.00 0.00 46.02 44.62 2qbk n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 56 N 0.00 -2.53 3.81 -0.02 0.00 -1.15 -4.61 105.19 100.69 2qbk n GLY 56 Ca 0.00 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2qbk n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbk s ILE 57 N -3.06 4.12 -0.42 -0.61 1.01 -1.26 -1.13 121.20 119.86 2qbk s ILE 57 Ca 0.00 1.37 0.04 0.00 0.00 0.00 0.00 60.65 62.06 2qbk s ILE 57 Cb 0.00 -3.58 0.17 0.00 0.01 0.00 0.00 42.46 39.06 2qbk s ILE 57 CO 0.00 -0.24 0.38 -0.69 0.00 0.00 0.00 174.94 174.40 2qbk s VAL 58 N -2.03 0.07 -0.62 2.92 1.01 0.18 -4.83 120.40 117.09 2qbk s VAL 58 Ca 0.63 -2.19 -0.28 0.00 0.00 0.00 0.00 61.98 60.13 2qbk s VAL 58 Cb -0.13 -1.02 -0.12 0.00 0.00 0.00 0.00 36.38 35.12 2qbk s VAL 58 CO 0.17 -0.99 2.48 1.21 0.00 0.00 0.00 175.10 177.97 2qbk n GLU 59 N 3.09 0.76 -3.52 2.72 2.13 -1.26 -3.90 120.64 120.66 2qbk n GLU 59 Ca 0.25 0.03 -0.21 0.00 0.66 0.00 0.00 57.16 57.89 2qbk n GLU 59 Cb 0.48 -2.80 -0.02 0.00 0.27 0.00 0.00 31.44 29.37 2qbk n GLU 59 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qbk n LYS 60 N 8.79 1.04 0.00 5.31 3.00 -1.26 -4.67 118.16 130.37 2qbk n LYS 60 Ca 0.46 -2.50 0.00 0.00 -0.00 0.00 0.00 58.31 56.27 2qbk n LYS 60 Cb 0.37 0.49 0.00 0.00 0.00 0.00 0.00 35.03 35.89 2qbk n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qbk n GLU 61 N -1.13 2.15 0.00 1.64 -0.58 -1.26 0.18 120.64 121.64 2qbk n GLU 61 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2qbk n GLU 61 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 2qbk n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbk n ALA 62 N -3.00 0.00 -0.85 0.62 0.00 -0.50 -3.92 120.51 112.86 2qbk n ALA 62 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2qbk n ALA 62 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2qbk n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk n ALA 63 N -0.02 -1.60 -2.23 0.00 0.00 -1.26 -5.03 120.51 110.38 2qbk n ALA 63 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 2qbk n ALA 63 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 2qbk n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qbk s ILE 64 N -4.43 0.12 0.03 0.00 1.10 0.94 -4.91 121.20 114.05 2qbk s ILE 64 Ca 0.00 -1.80 -0.31 0.00 -0.51 0.00 0.00 60.65 58.03 2qbk s ILE 64 Cb 0.00 -1.91 -0.10 0.00 0.15 0.00 0.00 42.46 40.61 2qbk s ILE 64 CO 0.00 -0.54 1.93 0.00 -2.11 0.00 0.00 174.94 174.23 2qbk n GLN 65 N -0.07 2.73 -0.35 3.50 1.13 -1.26 0.44 117.38 123.50 2qbk n GLN 65 Ca -0.07 1.00 0.28 0.00 -1.94 0.00 0.00 57.00 56.27 2qbk n GLN 65 Cb 0.63 -2.93 0.59 0.00 0.11 0.00 0.00 30.24 28.64 2qbk n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 2qbk h VAL 66 N 5.42 0.42 0.00 5.09 3.04 -1.68 0.57 116.25 129.11 2qbk h VAL 66 Ca -0.49 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2qbk h VAL 66 Cb 1.24 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2qbk h VAL 66 CO 0.94 0.05 0.00 -1.54 -1.01 0.00 0.00 177.57 176.01 2qbk n SER 67 N -4.54 0.00 -0.94 3.17 3.41 -1.26 -2.59 113.62 110.87 2qbk n SER 67 Ca 0.28 -1.00 0.01 0.00 -0.26 0.00 0.00 58.87 57.90 2qbk n SER 67 Cb 1.07 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 65.23 2qbk n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qbk n ASN 68 N -0.58 2.61 -3.44 4.04 3.02 0.20 -4.99 115.26 116.12 2qbk n ASN 68 Ca 0.02 -3.60 -0.17 0.00 -0.03 0.00 0.00 54.58 50.81 2qbk n ASN 68 Cb 0.01 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.52 2qbk n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qbk s VAL 69 N -3.14 0.00 -0.16 2.41 -7.23 -1.07 -1.40 120.40 109.81 2qbk s VAL 69 Ca 0.42 -1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 2qbk s VAL 69 Cb 0.38 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2qbk s VAL 69 CO 0.01 0.00 0.39 0.00 -0.31 0.00 0.00 175.10 175.19 2qbk s ALA 70 N -3.42 -0.99 -0.85 1.32 0.00 -1.26 -4.72 121.76 111.84 2qbk s ALA 70 Ca 0.37 1.42 -0.25 0.00 0.00 0.00 0.00 51.96 53.50 2qbk s ALA 70 Cb 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 2qbk s ALA 70 CO 0.23 -0.25 1.91 0.96 0.00 0.00 0.00 175.76 178.61 2qbk s ILE 71 N 1.22 3.44 -0.32 0.00 -4.36 -1.26 0.13 121.20 120.06 2qbk s ILE 71 Ca -0.08 -0.26 -0.39 0.00 -0.26 0.00 0.00 60.65 59.66 2qbk s ILE 71 Cb -0.08 -4.02 -0.15 0.00 1.25 0.00 0.00 42.46 39.46 2qbk s ILE 71 CO -0.11 -0.97 1.91 0.33 0.24 0.00 0.00 174.94 176.34 2qbk n PHE 72 N 13.58 1.86 0.91 1.37 7.35 0.75 -4.16 117.46 139.12 2qbk n PHE 72 Ca 0.36 0.47 0.13 0.00 -0.76 0.00 0.00 57.45 57.65 2qbk n PHE 72 Cb 0.48 -2.47 0.39 0.00 0.35 0.00 0.00 39.48 38.23 2qbk n PHE 72 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2qbk n ASN 73 N 6.84 0.37 0.00 -2.13 2.04 0.79 -4.72 115.26 118.44 2qbk n ASN 73 Ca 0.33 0.16 0.00 0.00 -0.44 0.00 0.00 54.58 54.63 2qbk n ASN 73 Cb 0.14 -0.14 0.00 0.00 -2.53 0.00 0.00 39.78 37.26 2qbk n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qbk n ALA 74 N -1.57 0.00 0.04 -2.53 0.00 -1.26 -4.63 120.51 110.56 2qbk n ALA 74 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 2qbk n ALA 74 Cb 0.36 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.30 2qbk n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h ALA 75 N 0.00 0.46 0.00 0.00 0.00 -1.92 -3.38 119.26 114.42 2qbk h ALA 75 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2qbk h ALA 75 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qbk h ALA 75 CO 0.00 1.33 -0.01 0.25 0.00 0.00 0.00 179.25 180.82 2qbk n THR 76 N -3.28 0.13 -3.35 0.00 -2.24 -1.26 -5.03 114.28 99.24 2qbk n THR 76 Ca -0.07 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 2qbk n THR 76 Cb 0.99 0.93 0.08 0.00 -2.10 0.00 0.00 70.33 70.23 2qbk n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbk n GLY 77 N -0.07 -0.69 0.00 3.38 0.00 -1.26 -4.97 105.19 101.58 2qbk n GLY 77 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2qbk n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbk n LYS 78 N -3.76 0.00 -3.20 1.61 0.00 -1.26 -4.99 118.16 106.57 2qbk n LYS 78 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.11 2qbk n LYS 78 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.66 2qbk n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbk s ALA 79 N -1.00 -2.06 -1.05 3.14 0.00 -1.26 -0.15 121.76 119.38 2qbk s ALA 79 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 2qbk s ALA 79 Cb 0.00 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2qbk s ALA 79 CO 0.00 -1.85 1.72 -0.51 0.00 0.00 0.00 175.76 175.12 2qbk s ASP 80 N 2.66 5.94 0.00 0.00 1.11 -1.26 -4.76 116.67 120.36 2qbk s ASP 80 Ca 0.10 -1.41 0.00 0.00 0.18 0.00 0.00 52.55 51.42 2qbk s ASP 80 Cb -0.10 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.32 2qbk s ASP 80 CO -0.25 -2.04 0.00 0.54 1.18 0.00 0.00 175.17 174.60 2qbk n ARG 81 N 8.71 0.00 0.00 8.23 3.00 -1.26 -0.93 116.66 134.41 2qbk n ARG 81 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.23 2qbk n ARG 81 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 2qbk n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qbk n VAL 82 N 0.00 0.00 -1.25 1.55 0.31 -1.26 -4.80 118.33 112.87 2qbk n VAL 82 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2qbk n VAL 82 Cb 0.00 -0.22 -0.08 0.00 -0.91 0.00 0.00 33.84 32.62 2qbk n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qbk n GLY 83 N 0.06 -3.31 3.06 2.92 0.00 -1.24 0.13 105.19 106.81 2qbk n GLY 83 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 2qbk n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbk s PHE 84 N -4.15 -0.49 0.00 1.61 0.40 -1.26 -3.47 117.98 110.61 2qbk s PHE 84 Ca 0.00 1.07 0.00 0.00 -0.60 0.00 0.00 56.93 57.40 2qbk s PHE 84 Cb 0.00 0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.57 2qbk s PHE 84 CO 0.00 -0.37 0.00 -2.13 0.70 0.00 0.00 175.22 173.42 2qbk n ARG 85 N 5.29 0.00 -3.84 0.44 0.00 -0.75 -5.04 116.66 112.75 2qbk n ARG 85 Ca -0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.69 2qbk n ARG 85 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.96 2qbk n ARG 85 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2qbk s PHE 86 N -2.00 0.00 0.01 -0.14 2.19 -1.04 -4.47 117.98 112.54 2qbk s PHE 86 Ca 0.00 -0.56 0.11 0.00 0.33 0.00 0.00 56.93 56.81 2qbk s PHE 86 Cb 0.00 0.74 -0.19 0.00 -1.31 0.00 0.00 43.02 42.26 2qbk s PHE 86 CO 0.00 -1.39 1.00 1.05 1.83 0.00 0.00 175.22 177.71 2qbk h GLU 87 N 2.01 0.00 -6.51 10.12 -0.00 -1.91 -3.47 114.58 114.81 2qbk h GLU 87 Ca -0.26 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.59 2qbk h GLU 87 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.01 2qbk h GLU 87 CO 0.32 0.69 -0.13 0.34 -0.00 0.00 0.00 179.01 180.23 2qbk s ASP 88 N -6.36 5.00 0.52 3.06 -1.08 -1.26 -4.97 116.67 111.58 2qbk s ASP 88 Ca -0.01 -0.94 0.33 0.00 -0.52 0.00 0.00 52.55 51.41 2qbk s ASP 88 Cb 0.09 0.35 1.47 0.00 -1.46 0.00 0.00 42.92 43.37 2qbk s ASP 88 CO 0.82 -1.32 1.79 1.23 0.52 0.00 0.00 175.17 178.21 2qbk h GLY 89 N 0.27 0.25 -4.23 2.66 0.00 -2.05 -3.41 103.07 96.56 2qbk h GLY 89 Ca -0.31 -0.04 -0.56 0.00 0.00 0.00 0.00 47.33 46.42 2qbk h GLY 89 CO 0.44 -0.03 0.59 0.28 0.00 0.00 0.00 176.54 177.82 2qbk n LYS 90 N -4.27 2.24 -0.01 4.80 5.02 -1.26 -4.93 118.16 119.75 2qbk n LYS 90 Ca 0.26 0.79 -0.11 0.00 -2.02 0.00 0.00 58.31 57.23 2qbk n LYS 90 Cb 1.19 -2.42 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 2qbk n LYS 90 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qbk h LYS 91 N 3.07 -0.08 -4.26 1.97 3.64 -1.91 -3.35 116.57 115.64 2qbk h LYS 91 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2qbk h LYS 91 Cb 1.27 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2qbk h LYS 91 CO 0.66 0.50 -0.87 0.28 -2.27 0.00 0.00 179.45 177.75 2qbk n VAL 92 N -4.79-10.64 -3.37 2.00 0.31 -1.26 -1.82 118.33 98.76 2qbk n VAL 92 Ca -0.08 2.97 -0.35 0.00 -0.01 0.00 0.00 64.34 66.87 2qbk n VAL 92 Cb 0.30 -4.58 -0.06 0.00 -0.91 0.00 0.00 33.84 28.59 2qbk n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qbk s ARG 93 N -0.81 3.97 -0.04 5.55 0.52 -1.26 -2.15 118.95 124.72 2qbk s ARG 93 Ca 0.00 0.47 0.01 0.00 -0.52 0.00 0.00 55.73 55.69 2qbk s ARG 93 Cb 0.00 -2.93 0.02 0.00 0.52 0.00 0.00 34.95 32.56 2qbk s ARG 93 CO 0.00 0.48 -0.02 -0.59 0.02 0.00 0.00 175.30 175.19 2qbk s PHE 94 N -1.46 0.54 0.01 -0.53 -0.12 0.35 -1.51 117.98 115.25 2qbk s PHE 94 Ca 0.38 -0.11 -0.30 0.00 -0.05 0.00 0.00 56.93 56.85 2qbk s PHE 94 Cb -0.15 -0.54 -0.08 0.00 -0.63 0.00 0.00 43.02 41.62 2qbk s PHE 94 CO 0.19 -0.16 1.90 -0.06 -0.05 0.00 0.00 175.22 177.03 2qbk s PHE 95 N 0.98 1.44 1.11 3.49 0.40 -1.26 -3.67 117.98 120.47 2qbk s PHE 95 Ca -0.10 -0.30 -0.20 0.00 -0.60 0.00 0.00 56.93 55.73 2qbk s PHE 95 Cb -0.14 -4.17 0.07 0.00 0.51 0.00 0.00 43.02 39.30 2qbk s PHE 95 CO -0.01 -5.16 -0.19 1.63 0.70 0.00 0.00 175.22 172.19 2qbk n LYS 96 N 7.46 -1.47 0.00 0.44 4.76 -0.11 -0.90 118.16 128.33 2qbk n LYS 96 Ca 0.19 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 2qbk n LYS 96 Cb 0.42 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 2qbk n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qbk n SER 97 N -1.05 0.00 0.00 4.39 3.41 -1.26 -4.17 113.62 114.94 2qbk n SER 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbk n SER 97 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2qbk n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qbk n ASN 98 N 1.02 0.61 -4.37 4.04 0.23 -1.16 -5.00 115.26 110.62 2qbk n ASN 98 Ca 0.00 -1.18 -0.39 0.00 -0.53 0.00 0.00 54.58 52.47 2qbk n ASN 98 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2qbk n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qbk n SER 99 N -0.09 -2.32 -0.41 0.53 7.64 -0.08 -4.73 113.62 114.16 2qbk n SER 99 Ca 0.00 -1.11 0.36 0.00 1.01 0.00 0.00 58.87 59.13 2qbk n SER 99 Cb 0.25 -1.97 0.69 0.00 -1.01 0.00 0.00 64.21 62.18 2qbk n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qbk h GLU 100 N -1.04 0.10 -5.81 1.43 4.57 -1.81 -3.45 114.58 108.57 2qbk h GLU 100 Ca -0.58 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 57.44 2qbk h GLU 100 Cb 1.38 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2qbk h GLU 100 CO 0.83 0.07 -0.56 2.41 -1.18 0.00 0.00 179.01 180.57 2qbk n THR 101 N -4.34 -8.12 0.68 0.32 -1.04 -1.26 -4.87 114.28 95.65 2qbk n THR 101 Ca 0.31 0.20 0.05 0.00 -2.04 0.00 0.00 64.05 62.57 2qbk n THR 101 Cb 1.34 -5.72 0.32 0.00 -1.82 0.00 0.00 70.33 64.44 2qbk n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43