#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 n VAL 4 N 0.00 -0.60 -2.33 -3.33 3.14 -1.26 -5.12 118.33 108.83 2wb1 n VAL 4 Ca 0.00 -3.48 -0.43 0.00 -2.96 0.00 0.00 64.34 57.48 2wb1 n VAL 4 Cb 0.00 -1.28 -0.02 0.00 -1.06 0.00 0.00 33.84 31.48 2wb1 n VAL 4 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2wb1 s TYR 5 N -0.73 2.77 -0.03 1.45 2.02 -1.26 -5.00 117.35 116.57 2wb1 s TYR 5 Ca 0.34 0.88 -0.22 0.00 -0.37 0.00 0.00 57.07 57.71 2wb1 s TYR 5 Cb 0.17 -3.58 -0.05 0.00 -0.40 0.00 0.00 41.96 38.10 2wb1 s TYR 5 CO -0.14 -2.09 0.64 0.42 -1.57 0.00 0.00 175.55 172.81 2wb1 s ILE 6 N 3.18 4.96 0.00 2.71 1.09 -1.26 -4.97 121.20 126.91 2wb1 s ILE 6 Ca 0.59 1.33 0.00 0.00 -1.10 0.00 0.00 60.65 61.47 2wb1 s ILE 6 Cb -0.26 -3.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.17 2wb1 s ILE 6 CO 0.20 0.35 0.00 0.55 -0.10 0.00 0.00 174.94 175.94 2wb1 n VAL 7 N 3.18 0.00 -3.72 2.92 3.14 -1.26 -5.02 118.33 117.57 2wb1 n VAL 7 Ca -0.04 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.07 2wb1 n VAL 7 Cb 0.51 -0.36 -0.17 0.00 -1.06 0.00 0.00 33.84 32.76 2wb1 n VAL 7 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2wb1 s GLU 8 N -1.80 0.54 -0.23 1.45 0.41 -1.26 -5.12 118.70 112.70 2wb1 s GLU 8 Ca 0.00 -0.31 -0.06 0.00 -0.41 0.00 0.00 54.97 54.19 2wb1 s GLU 8 Cb 0.00 -1.95 -0.02 0.00 -1.78 0.00 0.00 34.13 30.38 2wb1 s GLU 8 CO 0.00 -0.61 0.02 -1.21 -0.49 0.00 0.00 175.26 172.97 2wb1 s GLU 9 N 1.92 3.56 0.21 1.61 2.02 -1.26 -5.09 118.70 121.67 2wb1 s GLU 9 Ca 0.00 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.47 2wb1 s GLU 9 Cb -0.16 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 2wb1 s GLU 9 CO -0.08 -0.15 0.07 -1.01 0.02 0.00 0.00 175.26 174.11 2wb1 s HIS 10 N 1.44 1.29 -0.01 1.61 3.76 -1.26 -5.15 115.29 116.98 2wb1 s HIS 10 Ca 0.05 -1.17 0.07 0.00 -0.15 0.00 0.00 55.06 53.86 2wb1 s HIS 10 Cb -0.15 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 2wb1 s HIS 10 CO 0.01 -0.37 -0.23 0.71 -0.85 0.00 0.00 174.74 174.01 2wb1 s TYR 11 N -3.83 2.41 -0.12 1.40 2.02 -1.26 -5.13 117.35 112.85 2wb1 s TYR 11 Ca 0.32 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 2wb1 s TYR 11 Cb 0.07 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 2wb1 s TYR 11 CO 0.09 0.06 -0.07 0.42 -1.57 0.00 0.00 175.55 174.48 2wb1 s ILE 12 N -0.70 3.64 0.40 2.71 1.01 -1.26 -4.95 121.20 122.07 2wb1 s ILE 12 Ca 0.11 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 2wb1 s ILE 12 Cb -0.10 -2.54 -0.11 0.00 0.01 0.00 0.00 42.46 39.72 2wb1 s ILE 12 CO 0.00 0.54 0.96 -2.16 0.00 0.00 0.00 174.94 174.28 2wb1 s PRO 13 N -0.07 4.30 0.33 2.79 0.04 -1.26 -4.81 135.00 136.33 2wb1 s PRO 13 Ca 0.00 1.20 0.11 0.00 0.04 0.00 0.00 61.00 62.35 2wb1 s PRO 13 Cb -0.13 -2.35 0.97 0.00 0.04 0.00 0.00 34.50 33.02 2wb1 s PRO 13 CO 0.03 0.03 1.66 1.88 0.04 0.00 0.00 177.00 180.64 2wb1 h TYR 14 N 2.25 0.77 -0.01 0.56 0.05 -1.92 -2.44 116.97 116.23 2wb1 h TYR 14 Ca -0.48 0.04 -0.17 0.00 0.05 0.00 0.00 58.73 58.16 2wb1 h TYR 14 Cb 1.19 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 2wb1 h TYR 14 CO 0.61 -0.17 -0.78 0.66 -1.05 0.00 0.00 178.16 177.43 2wb1 h SER 15 N 0.31 0.18 0.83 3.88 4.64 -1.91 -3.31 113.55 118.17 2wb1 h SER 15 Ca 0.68 -0.13 -0.24 0.00 -0.47 0.00 0.00 61.79 61.63 2wb1 h SER 15 Cb 1.49 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.49 2wb1 h SER 15 CO -0.62 0.89 -1.23 1.62 -0.87 0.00 0.00 176.83 176.62 2wb1 h VAL 16 N 0.09 1.44 -0.16 0.95 3.04 -1.61 -3.26 116.25 116.74 2wb1 h VAL 16 Ca -0.02 -3.19 0.05 0.00 -1.01 0.00 0.00 66.70 62.52 2wb1 h VAL 16 Cb 1.37 2.72 -0.01 0.00 -2.01 0.00 0.00 31.29 33.36 2wb1 h VAL 16 CO 0.11 0.82 0.27 0.00 -1.01 0.00 0.00 177.57 177.76 2wb1 h ALA 17 N 0.99 1.66 0.26 3.17 0.00 -1.62 -0.67 119.26 123.03 2wb1 h ALA 17 Ca -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2wb1 h ALA 17 Cb 1.85 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2wb1 h ALA 17 CO 0.12 -0.35 -0.41 0.87 0.00 0.00 0.00 179.25 179.48 2wb1 h LYS 18 N 0.00 -0.71 -0.22 0.00 1.57 -1.70 -1.26 116.57 114.25 2wb1 h LYS 18 Ca 0.08 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wb1 h LYS 18 Cb 0.61 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2wb1 h LYS 18 CO -0.00 -0.47 0.00 1.63 -0.57 0.00 0.00 179.45 180.04 2wb1 n LYS 19 N -5.48 0.65 -0.06 3.15 5.02 -0.26 -0.21 118.16 120.96 2wb1 n LYS 19 Ca -0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 2wb1 n LYS 19 Cb 0.39 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 2wb1 n LYS 19 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wb1 n LEU 20 N -0.27 2.65 0.00 -0.35 4.32 -0.91 -4.57 117.00 117.88 2wb1 n LEU 20 Ca 0.00 -0.03 0.12 0.00 -0.02 0.00 0.00 56.01 56.09 2wb1 n LEU 20 Cb 0.06 -0.41 0.31 0.00 -1.62 0.00 0.00 43.42 41.76 2wb1 n LEU 20 CO 0.00 0.63 0.54 0.18 -1.22 0.00 0.00 177.39 177.52 2wb1 n LEU 21 N -2.96 0.42 0.18 2.23 4.32 -0.52 -3.12 117.00 117.55 2wb1 n LEU 21 Ca -0.22 0.10 0.08 0.00 -0.02 0.00 0.00 56.01 55.95 2wb1 n LEU 21 Cb 0.71 -0.29 0.10 0.00 -1.62 0.00 0.00 43.42 42.32 2wb1 n LEU 21 CO 0.10 0.09 0.65 0.77 -1.22 0.00 0.00 177.39 177.78 2wb1 h SER 22 N 0.00 0.00 0.62 -1.43 4.64 -0.84 -3.27 113.55 113.27 2wb1 h SER 22 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2wb1 h SER 22 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2wb1 h SER 22 CO 0.00 0.23 -0.56 0.44 -0.87 0.00 0.00 176.83 176.07 2wb1 h ASP 23 N 0.00 0.00 0.57 4.97 5.19 -1.77 -2.53 116.42 122.85 2wb1 h ASP 23 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wb1 h ASP 23 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2wb1 h ASP 23 CO 0.03 0.56 0.00 0.55 -3.12 0.00 0.00 179.24 177.26 2wb1 n VAL 24 N -3.80 0.86 -1.65 -1.35 3.14 -1.23 -2.67 118.33 111.63 2wb1 n VAL 24 Ca -0.01 0.35 -0.32 0.00 -2.96 0.00 0.00 64.34 61.40 2wb1 n VAL 24 Cb 0.58 -1.31 -0.01 0.00 -1.06 0.00 0.00 33.84 32.04 2wb1 n VAL 24 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2wb1 n ILE 25 N -2.28 3.43 0.00 1.55 2.08 -0.95 -4.09 119.36 119.09 2wb1 n ILE 25 Ca 0.01 -3.50 0.00 0.00 0.56 0.00 0.00 62.75 59.82 2wb1 n ILE 25 Cb 0.19 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 2wb1 n ILE 25 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2wb1 n LYS 26 N 0.24 3.17 0.19 0.38 5.02 -1.09 -5.02 118.16 121.05 2wb1 n LYS 26 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2wb1 n LYS 26 Cb 0.42 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 2wb1 n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wb1 n SER 27 N -0.48 -2.73 -4.30 4.39 3.41 -1.26 -5.09 113.62 107.56 2wb1 n SER 27 Ca 0.00 0.71 -0.40 0.00 -0.26 0.00 0.00 58.87 58.92 2wb1 n SER 27 Cb 0.00 2.63 -0.11 0.00 -0.26 0.00 0.00 64.21 66.47 2wb1 n SER 27 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2wb1 s GLY 28 N -2.93 1.94 0.34 5.00 0.00 -1.26 -5.07 107.32 105.34 2wb1 s GLY 28 Ca 0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 44.72 42.45 2wb1 s GLY 28 CO 0.00 0.91 1.48 -1.35 0.00 0.00 0.00 173.10 174.14 2wb1 s SER 29 N 1.87 6.43 0.67 1.64 1.04 -1.26 -4.68 113.70 119.41 2wb1 s SER 29 Ca 0.02 2.95 -0.04 0.00 0.48 0.00 0.00 55.95 59.36 2wb1 s SER 29 Cb -0.22 -2.66 0.07 0.00 0.10 0.00 0.00 66.02 63.32 2wb1 s SER 29 CO 0.03 -0.82 0.95 -0.94 0.98 0.00 0.00 173.24 173.45 2wb1 s SER 30 N -0.02 4.77 0.63 7.02 1.04 -1.26 -5.11 113.70 120.76 2wb1 s SER 30 Ca 0.55 0.13 -0.01 0.00 0.48 0.00 0.00 55.95 57.10 2wb1 s SER 30 Cb -0.45 -0.77 0.09 0.00 0.10 0.00 0.00 66.02 64.99 2wb1 s SER 30 CO 0.57 -1.57 0.62 -1.54 0.98 0.00 0.00 173.24 172.29 2wb1 n SER 31 N -2.77 0.75 0.08 7.02 3.41 -1.26 -4.86 113.62 115.99 2wb1 n SER 31 Ca 0.10 -1.65 0.08 0.00 -0.26 0.00 0.00 58.87 57.14 2wb1 n SER 31 Cb 0.60 -0.41 0.36 0.00 -0.26 0.00 0.00 64.21 64.51 2wb1 n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wb1 n ASN 32 N -2.99 0.33 -0.08 4.04 4.13 -1.26 -1.56 115.26 117.87 2wb1 n ASN 32 Ca 0.10 0.61 0.14 0.00 1.68 0.00 0.00 54.58 57.11 2wb1 n ASN 32 Cb 0.35 -0.67 0.65 0.00 -1.54 0.00 0.00 39.78 38.58 2wb1 n ASN 32 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wb1 n LEU 33 N -1.90 0.33 -0.03 3.41 4.32 -1.26 -2.48 117.00 119.38 2wb1 n LEU 33 Ca 0.01 0.09 -0.05 0.00 -0.02 0.00 0.00 56.01 56.05 2wb1 n LEU 33 Cb 0.12 -0.21 -0.03 0.00 -1.62 0.00 0.00 43.42 41.68 2wb1 n LEU 33 CO 0.12 0.06 -0.72 0.18 -1.22 0.00 0.00 177.39 175.81 2wb1 n LEU 34 N -1.06 2.90 0.29 2.23 4.32 -0.68 -4.41 117.00 120.58 2wb1 n LEU 34 Ca 0.14 -0.03 0.19 0.00 -0.02 0.00 0.00 56.01 56.29 2wb1 n LEU 34 Cb 0.27 -0.22 0.99 0.00 -1.62 0.00 0.00 43.42 42.84 2wb1 n LEU 34 CO 0.24 0.60 1.08 1.56 -1.22 0.00 0.00 177.39 179.64 2wb1 h GLN 35 N 0.00 0.00 0.06 3.23 4.20 -1.39 0.67 115.11 121.88 2wb1 h GLN 35 Ca -0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2wb1 h GLN 35 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2wb1 h GLN 35 CO -0.02 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.11 2wb1 h ARG 36 N 0.00 -0.08 -0.14 1.46 3.08 -1.74 -3.12 114.38 113.84 2wb1 h ARG 36 Ca 0.00 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2wb1 h ARG 36 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2wb1 h ARG 36 CO 0.00 0.49 -0.25 1.15 -1.07 0.00 0.00 179.97 180.29 2wb1 h THR 37 N -0.75 1.24 -0.41 2.04 2.02 -1.26 0.11 112.91 115.88 2wb1 h THR 37 Ca -0.01 -1.11 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 2wb1 h THR 37 Cb 0.61 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 2wb1 h THR 37 CO 0.01 0.34 0.05 0.22 0.37 0.00 0.00 175.52 176.51 2wb1 h TYR 38 N 0.22 0.75 0.00 3.16 3.20 0.12 -2.51 116.97 121.91 2wb1 h TYR 38 Ca 0.04 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 2wb1 h TYR 38 Cb 0.57 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2wb1 h TYR 38 CO 0.01 0.73 -0.52 -0.44 -1.64 0.00 0.00 178.16 176.30 2wb1 h ASP 39 N 0.54 0.00 0.01 -2.11 5.19 -1.43 -3.29 116.42 115.33 2wb1 h ASP 39 Ca 0.12 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.41 2wb1 h ASP 39 Cb 0.40 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2wb1 h ASP 39 CO 0.01 0.43 -0.39 0.22 -3.12 0.00 0.00 179.24 176.40 2wb1 h TYR 40 N 0.00 0.59 0.00 4.55 3.20 -0.71 -2.89 116.97 121.70 2wb1 h TYR 40 Ca -0.02 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.62 2wb1 h TYR 40 Cb 1.34 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2wb1 h TYR 40 CO 0.00 0.81 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.92 2wb1 h LEU 41 N 0.41 0.00 -0.19 2.82 4.07 -1.52 -2.59 115.31 118.31 2wb1 h LEU 41 Ca 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 2wb1 h LEU 41 Cb 0.86 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 2wb1 h LEU 41 CO 0.07 0.35 0.08 0.78 -1.08 0.00 0.00 178.44 178.64 2wb1 h ASN 42 N 0.00 0.27 1.10 -0.43 2.35 -1.60 -2.75 115.58 114.53 2wb1 h ASN 42 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2wb1 h ASN 42 Cb 0.72 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2wb1 h ASN 42 CO 0.05 0.36 -0.28 -1.54 -1.65 0.00 0.00 177.43 174.36 2wb1 n SER 43 N -4.84 0.65 0.03 5.81 3.41 -1.20 -3.78 113.62 113.71 2wb1 n SER 43 Ca -0.04 0.32 0.11 0.00 -0.26 0.00 0.00 58.87 59.00 2wb1 n SER 43 Cb 0.12 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 2wb1 n SER 43 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2wb1 n VAL 44 N -2.05 0.19 -1.65 -3.33 3.14 -0.98 -4.95 118.33 108.69 2wb1 n VAL 44 Ca 0.05 -0.31 -0.43 0.00 -2.96 0.00 0.00 64.34 60.69 2wb1 n VAL 44 Cb 0.42 0.15 -0.03 0.00 -1.06 0.00 0.00 33.84 33.32 2wb1 n VAL 44 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2wb1 n GLU 45 N -2.07 2.61 -0.10 1.45 1.02 -1.04 -4.86 120.64 117.65 2wb1 n GLU 45 Ca 0.01 0.92 0.07 0.00 -0.02 0.00 0.00 57.16 58.13 2wb1 n GLU 45 Cb 0.47 -3.01 0.09 0.00 -0.02 0.00 0.00 31.44 28.96 2wb1 n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wb1 n LYS 46 N 7.70 1.45 -1.05 3.49 4.01 -1.26 -5.07 118.16 127.43 2wb1 n LYS 46 Ca 0.23 -2.12 0.00 0.00 -0.51 0.00 0.00 58.31 55.91 2wb1 n LYS 46 Cb 0.40 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 2wb1 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wb1 s ASP 48 N -0.65 6.59 0.00 0.00 2.15 -1.26 -4.97 116.67 118.54 2wb1 s ASP 48 Ca 0.00 0.93 -0.25 0.00 0.43 0.00 0.00 52.55 53.66 2wb1 s ASP 48 Cb 0.00 -2.23 -0.18 0.00 -0.30 0.00 0.00 42.92 40.21 2wb1 s ASP 48 CO 0.00 -0.14 1.27 0.00 -0.17 0.00 0.00 175.17 176.13 2wb1 h ALA 49 N 2.23 -0.21 0.00 3.66 0.00 -2.01 -3.12 119.26 119.81 2wb1 h ALA 49 Ca -0.47 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.15 2wb1 h ALA 49 Cb 1.18 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2wb1 h ALA 49 CO 0.68 -0.42 -0.47 0.93 0.00 0.00 0.00 179.25 179.97 2wb1 h GLU 50 N -0.59 0.00 0.00 0.00 5.08 -1.96 -3.18 114.58 113.93 2wb1 h GLU 50 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wb1 h GLU 50 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2wb1 h GLU 50 CO 0.03 0.47 0.00 0.43 -1.00 0.00 0.00 179.01 178.94 2wb1 n SER 51 N -3.26 0.00 0.09 1.42 7.64 -1.24 -3.36 113.62 114.90 2wb1 n SER 51 Ca 0.02 -0.80 -0.06 0.00 1.01 0.00 0.00 58.87 59.03 2wb1 n SER 51 Cb 0.69 -0.05 0.05 0.00 -1.01 0.00 0.00 64.21 63.90 2wb1 n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wb1 h ALA 52 N 3.78 0.69 0.03 -0.43 0.00 -1.51 -2.27 119.26 119.54 2wb1 h ALA 52 Ca 0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 54.91 54.04 2wb1 h ALA 52 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wb1 h ALA 52 CO 0.00 0.86 -0.97 1.96 0.00 0.00 0.00 179.25 181.10 2wb1 h GLN 53 N 0.10 0.15 0.00 0.00 4.20 -1.79 -3.28 115.11 114.49 2wb1 h GLN 53 Ca -0.02 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 2wb1 h GLN 53 Cb 1.34 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 2wb1 h GLN 53 CO 0.11 1.00 -0.24 0.87 -0.67 0.00 0.00 178.83 179.90 2wb1 h LYS 54 N 0.07 0.00 0.12 1.46 1.57 -1.69 -3.33 116.57 114.76 2wb1 h LYS 54 Ca -0.05 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 2wb1 h LYS 54 Cb 1.65 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.98 2wb1 h LYS 54 CO 0.14 0.24 -0.95 -0.24 -0.57 0.00 0.00 179.45 178.07 2wb1 h VAL 55 N 0.00 1.41 0.00 0.50 3.04 -1.47 -3.33 116.25 116.40 2wb1 h VAL 55 Ca -0.00 -2.43 -0.05 0.00 -1.01 0.00 0.00 66.70 63.21 2wb1 h VAL 55 Cb 1.05 2.92 -0.01 0.00 -2.01 0.00 0.00 31.29 33.24 2wb1 h VAL 55 CO 0.03 0.71 -0.26 1.62 -1.01 0.00 0.00 177.57 178.66 2wb1 h VAL 56 N -0.08 0.91 -0.42 1.51 3.04 -1.67 -2.66 116.25 116.88 2wb1 h VAL 56 Ca -0.15 -0.99 -0.09 0.00 -1.01 0.00 0.00 66.70 64.47 2wb1 h VAL 56 Cb 1.70 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 2wb1 h VAL 56 CO 0.18 0.25 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.59 2wb1 h GLU 57 N 0.00 0.79 0.00 4.17 5.08 -1.67 -1.84 114.58 121.11 2wb1 h GLU 57 Ca -0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2wb1 h GLU 57 Cb 0.56 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2wb1 h GLU 57 CO 0.03 0.90 0.00 0.93 -1.00 0.00 0.00 179.01 179.88 2wb1 h GLU 58 N 0.62 0.00 0.02 2.33 5.08 -1.64 -3.22 114.58 117.77 2wb1 h GLU 58 Ca 0.11 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 2wb1 h GLU 58 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 2wb1 h GLU 58 CO 0.04 0.00 -0.81 -0.07 -1.00 0.00 0.00 179.01 177.17 2wb1 h LEU 59 N 0.00 0.68 -8.18 1.33 3.38 -1.21 -3.40 115.31 107.91 2wb1 h LEU 59 Ca 0.00 -0.77 -0.36 0.00 0.09 0.00 0.00 57.88 56.84 2wb1 h LEU 59 Cb 0.80 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 2wb1 h LEU 59 CO 0.00 1.36 0.93 -0.94 0.09 0.00 0.00 178.44 179.88 2wb1 s SER 60 N -6.99 5.40 0.00 -0.43 1.04 -0.72 -4.24 113.70 107.76 2wb1 s SER 60 Ca -0.12 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2wb1 s SER 60 Cb 0.05 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2wb1 s SER 60 CO 0.86 -2.53 0.00 -1.54 0.98 0.00 0.00 173.24 171.01 2wb1 n SER 61 N 13.02 0.00 -4.98 7.02 3.41 -1.26 -4.97 113.62 125.86 2wb1 n SER 61 Ca 0.40 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.82 2wb1 n SER 61 Cb 0.48 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 2wb1 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wb1 s ILE 62 N -1.28 2.81 -0.93 -1.33 1.01 -1.26 -4.98 121.20 115.23 2wb1 s ILE 62 Ca 0.00 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.32 2wb1 s ILE 62 Cb 0.00 -2.89 -0.20 0.00 0.01 0.00 0.00 42.46 39.37 2wb1 s ILE 62 CO 0.00 0.00 2.09 0.00 0.00 0.00 0.00 174.94 177.03 2wb1 n ILE 63 N -1.82 0.00 -4.31 2.92 0.00 -1.26 -4.80 119.36 110.09 2wb1 n ILE 63 Ca 0.08 -0.16 -0.18 0.00 0.00 0.00 0.00 62.75 62.48 2wb1 n ILE 63 Cb 0.60 -1.77 -0.09 0.00 0.00 0.00 0.00 39.64 38.38 2wb1 n ILE 63 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2wb1 s SER 64 N 8.11 1.45 0.41 9.51 0.01 -1.26 -5.18 113.70 126.75 2wb1 s SER 64 Ca 0.79 -1.62 0.08 0.00 1.31 0.00 0.00 55.95 56.50 2wb1 s SER 64 Cb -0.08 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2wb1 s SER 64 CO 0.16 -0.95 0.28 -0.13 0.41 0.00 0.00 173.24 173.01 2wb1 s ARG 65 N -3.72 2.39 0.39 12.44 0.52 -1.26 -5.04 118.95 124.66 2wb1 s ARG 65 Ca 0.37 -1.67 0.24 0.00 -0.52 0.00 0.00 55.73 54.15 2wb1 s ARG 65 Cb 0.04 -2.20 0.41 0.00 0.52 0.00 0.00 34.95 33.72 2wb1 s ARG 65 CO 0.20 -0.15 1.61 0.93 0.02 0.00 0.00 175.30 177.92 2wb1 h GLU 66 N 1.22 0.00 0.14 3.54 5.08 -2.01 -3.28 114.58 119.28 2wb1 h GLU 66 Ca -0.42 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.63 2wb1 h GLU 66 Cb 1.26 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.54 2wb1 h GLU 66 CO 0.63 0.00 -1.28 0.38 -1.00 0.00 0.00 179.01 177.74 2wb1 h ASP 67 N 0.00 0.86 0.19 1.42 -0.00 -1.99 -3.35 116.42 113.55 2wb1 h ASP 67 Ca 0.00 -0.81 -0.25 0.00 -0.00 0.00 0.00 57.03 55.96 2wb1 h ASP 67 Cb 0.95 -0.27 0.03 0.00 -0.00 0.00 0.00 39.33 40.04 2wb1 h ASP 67 CO 0.00 1.62 -1.12 1.62 -0.00 0.00 0.00 179.24 181.36 2wb1 h VAL 68 N 0.25 1.41 0.00 4.15 3.04 -1.97 -3.24 116.25 119.88 2wb1 h VAL 68 Ca -0.20 -2.61 0.00 0.00 -1.01 0.00 0.00 66.70 62.88 2wb1 h VAL 68 Cb 1.96 3.13 0.00 0.00 -2.01 0.00 0.00 31.29 34.37 2wb1 h VAL 68 CO 0.24 0.76 0.00 0.54 -1.01 0.00 0.00 177.57 178.10 2wb1 n ARG 69 N -3.94 0.16 -0.04 4.17 1.74 -1.23 -2.41 116.66 115.11 2wb1 n ARG 69 Ca -0.15 0.52 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 2wb1 n ARG 69 Cb 0.95 -1.90 -0.14 0.00 -1.02 0.00 0.00 32.46 30.35 2wb1 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wb1 n ALA 70 N -1.77 1.32 0.15 7.54 0.00 -1.24 -3.66 120.51 122.86 2wb1 n ALA 70 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 53.44 52.62 2wb1 n ALA 70 Cb 0.14 -0.60 0.11 0.00 0.00 0.00 0.00 19.45 19.09 2wb1 n ALA 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wb1 h VAL 71 N 0.02 0.85 -0.00 0.00 3.04 -1.50 -2.97 116.25 115.68 2wb1 h VAL 71 Ca -0.40 -2.03 0.00 0.00 -1.01 0.00 0.00 66.70 63.26 2wb1 h VAL 71 Cb 2.05 2.30 0.00 0.00 -2.01 0.00 0.00 31.29 33.63 2wb1 h VAL 71 CO 0.06 0.45 -0.21 0.18 -1.01 0.00 0.00 177.57 177.04 2wb1 n LEU 72 N -3.29 0.58 0.21 3.16 4.32 -1.02 -3.60 117.00 117.36 2wb1 n LEU 72 Ca 0.01 -0.02 0.09 0.00 -0.02 0.00 0.00 56.01 56.07 2wb1 n LEU 72 Cb 0.68 -0.21 0.40 0.00 -1.62 0.00 0.00 43.42 42.67 2wb1 n LEU 72 CO 0.39 0.11 0.75 0.00 -1.22 0.00 0.00 177.39 177.43 2wb1 h ALA 73 N 3.46 0.99 0.00 -1.18 0.00 -1.59 -3.22 119.26 117.73 2wb1 h ALA 73 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wb1 h ALA 73 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wb1 h ALA 73 CO 0.00 0.34 -0.66 -1.13 0.00 0.00 0.00 179.25 177.80 2wb1 n SER 74 N -3.41 3.28 -0.03 0.00 3.41 -1.26 -4.70 113.62 110.92 2wb1 n SER 74 Ca 0.00 -0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 2wb1 n SER 74 Cb 0.47 0.90 -0.11 0.00 -0.26 0.00 0.00 64.21 65.22 2wb1 n SER 74 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2wb1 h ILE 75 N 0.00 1.46 -4.52 -1.33 2.04 -1.70 -3.36 117.51 110.11 2wb1 h ILE 75 Ca 0.00 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.13 2wb1 h ILE 75 Cb 0.00 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2wb1 h ILE 75 CO 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 178.15 178.42 2wb1 s PRO 77 N -2.55 4.74 -0.24 0.00 0.04 -1.26 -5.00 135.00 130.73 2wb1 s PRO 77 Ca 0.08 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 2wb1 s PRO 77 Cb -0.02 -3.30 -0.15 0.00 0.04 0.00 0.00 34.50 31.08 2wb1 s PRO 77 CO 0.49 0.31 -0.08 -0.89 0.04 0.00 0.00 177.00 176.88 2wb1 n ILE 78 N 1.98 1.53 -2.91 0.56 5.41 -1.26 -4.82 119.36 119.85 2wb1 n ILE 78 Ca 0.00 -0.16 -0.34 0.00 1.00 0.00 0.00 62.75 63.25 2wb1 n ILE 78 Cb 0.47 -2.00 -0.07 0.00 -0.71 0.00 0.00 39.64 37.33 2wb1 n ILE 78 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2wb1 s THR 79 N -2.44 4.43 0.59 1.39 2.01 -1.26 -4.96 115.64 115.40 2wb1 s THR 79 Ca -0.33 1.43 0.29 0.00 0.31 0.00 0.00 61.69 63.39 2wb1 s THR 79 Cb 0.10 -3.73 0.38 0.00 0.01 0.00 0.00 72.50 69.25 2wb1 s THR 79 CO 0.52 -0.11 1.88 1.55 -0.69 0.00 0.00 174.62 177.77 2wb1 h PRO 80 N 2.48 0.00 -0.09 4.92 0.13 -2.00 -1.49 132.00 135.95 2wb1 h PRO 80 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 2wb1 h PRO 80 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2wb1 h PRO 80 CO 0.63 0.00 -0.73 -0.44 -0.23 0.00 0.00 178.00 177.23 2wb1 h ASP 81 N 0.00 0.79 0.60 1.44 5.19 -2.00 -3.22 116.42 119.22 2wb1 h ASP 81 Ca 0.22 -0.67 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 2wb1 h ASP 81 Cb 1.22 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.49 2wb1 h ASP 81 CO -0.00 1.34 -0.08 -0.08 -3.12 0.00 0.00 179.24 177.30 2wb1 h GLU 82 N 0.30 0.00 0.00 3.56 4.57 -1.66 -2.49 114.58 118.86 2wb1 h GLU 82 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2wb1 h GLU 82 Cb 1.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2wb1 h GLU 82 CO 0.15 0.08 -0.59 -0.24 -1.18 0.00 0.00 179.01 177.23 2wb1 h VAL 83 N 0.00 0.00 0.00 0.32 3.04 -1.55 -3.23 116.25 114.83 2wb1 h VAL 83 Ca -0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2wb1 h VAL 83 Cb 0.41 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2wb1 h VAL 83 CO 0.01 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.11 2wb1 n ARG 84 N -2.39 0.28 0.00 4.17 1.74 -0.94 -3.25 116.66 116.27 2wb1 n ARG 84 Ca 0.03 0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.26 2wb1 n ARG 84 Cb 0.48 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.70 2wb1 n ARG 84 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wb1 n SER 85 N -1.21 0.00 -3.32 0.55 3.41 -1.22 -3.54 113.62 108.29 2wb1 n SER 85 Ca 0.08 -1.21 -0.26 0.00 -0.26 0.00 0.00 58.87 57.22 2wb1 n SER 85 Cb 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 2wb1 n SER 85 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2wb1 n ILE 86 N -0.70 1.54 0.72 -1.33 -0.00 -1.20 -4.75 119.36 113.65 2wb1 n ILE 86 Ca 0.07 -4.92 0.09 0.00 -0.00 0.00 0.00 62.75 58.00 2wb1 n ILE 86 Cb 0.03 -1.95 0.08 0.00 -0.00 0.00 0.00 39.64 37.80 2wb1 n ILE 86 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2wb1 n LEU 87 N 0.89 2.54 0.05 1.39 4.32 -1.23 -4.40 117.00 120.55 2wb1 n LEU 87 Ca 0.28 -1.03 -0.17 0.00 -0.02 0.00 0.00 56.01 55.07 2wb1 n LEU 87 Cb 0.45 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.10 2wb1 n LEU 87 CO 0.34 0.45 -0.43 0.16 -1.22 0.00 0.00 177.39 176.69 2wb1 h ILE 88 N 3.54 1.03 -0.01 -0.08 -2.65 -1.91 -1.86 117.51 115.58 2wb1 h ILE 88 Ca 0.00 -2.71 0.00 0.00 1.03 0.00 0.00 64.86 63.18 2wb1 h ILE 88 Cb 0.76 2.68 0.00 0.00 -2.05 0.00 0.00 36.82 38.21 2wb1 h ILE 88 CO 0.00 0.79 0.00 0.23 0.03 0.00 0.00 178.15 179.20 2wb1 n MET 89 N -3.42 1.04 -0.00 0.16 2.81 -1.26 -3.13 117.12 113.31 2wb1 n MET 89 Ca -0.19 -0.05 0.05 0.00 -1.81 0.00 0.00 57.70 55.70 2wb1 n MET 89 Cb 1.05 -1.38 -0.08 0.00 -0.71 0.00 0.00 33.22 32.10 2wb1 n MET 89 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2wb1 n ASP 90 N -0.81 2.17 0.27 7.83 9.92 -1.19 -4.42 116.55 130.32 2wb1 n ASP 90 Ca 0.18 -0.12 0.19 0.00 -0.53 0.00 0.00 54.79 54.50 2wb1 n ASP 90 Cb 0.10 1.42 0.98 0.00 -0.64 0.00 0.00 41.12 42.98 2wb1 n ASP 90 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2wb1 h SER 91 N 0.00 0.00 -4.36 -2.24 0.87 -1.28 -3.42 113.55 103.12 2wb1 h SER 91 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 2wb1 h SER 91 Cb 0.46 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.49 2wb1 h SER 91 CO 0.00 0.00 0.41 0.20 -0.53 0.00 0.00 176.83 176.91 2wb1 s ASN 92 N -4.75 5.91 0.00 6.23 0.01 -1.26 -5.12 114.94 115.96 2wb1 s ASN 92 Ca -0.04 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.54 2wb1 s ASN 92 Cb 0.10 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.35 2wb1 s ASN 92 CO 0.34 -1.08 0.00 -1.14 -1.51 0.00 0.00 177.10 173.71