#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxt s SER 2 N 0.00 5.37 -0.05 1.61 0.15 -1.26 -5.05 113.70 114.46 1wxt s SER 2 Ca 0.00 -1.88 -0.01 0.00 0.70 0.00 0.00 55.95 54.76 1wxt s SER 2 Cb 0.00 -1.88 0.03 0.00 -1.71 0.00 0.00 66.02 62.46 1wxt s SER 2 CO 0.00 -0.55 0.02 -0.94 1.20 0.00 0.00 173.24 172.97 1wxt s SER 3 N 1.98 1.11 0.00 5.45 1.04 -1.26 -5.09 113.70 116.94 1wxt s SER 3 Ca 0.06 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1wxt s SER 3 Cb -0.23 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1wxt s SER 3 CO -0.02 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1wxt n GLY 4 N 4.87 0.60 3.55 7.32 0.00 -1.26 -5.12 105.19 115.15 1wxt n GLY 4 Ca -0.12 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1wxt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxt s SER 5 N -4.00 -0.47 -0.12 1.61 1.04 -1.26 -5.09 113.70 105.40 1wxt s SER 5 Ca 0.00 0.50 -0.06 0.00 0.48 0.00 0.00 55.95 56.87 1wxt s SER 5 Cb 0.00 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1wxt s SER 5 CO 0.00 -0.45 -0.12 0.28 0.98 0.00 0.00 173.24 173.93 1wxt h SER 6 N 2.69 0.00 0.00 7.02 0.02 -2.05 -3.50 113.55 117.73 1wxt h SER 6 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1wxt h SER 6 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1wxt h SER 6 CO 0.34 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1wxt n GLY 7 N 1.68 4.34 3.32 -3.77 0.00 -1.26 -5.16 105.19 104.33 1wxt n GLY 7 Ca -0.05 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1wxt n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wxt s LEU 8 N 0.00 2.18 0.04 0.99 2.96 -1.26 -5.08 118.68 118.51 1wxt s LEU 8 Ca 0.00 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1wxt s LEU 8 Cb 0.00 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 1wxt s LEU 8 CO 0.00 0.22 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.62 1wxt s LYS 9 N -1.27 0.62 0.13 1.98 1.02 -1.26 -1.13 119.74 119.83 1wxt s LYS 9 Ca 0.10 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.27 1wxt s LYS 9 Cb -0.10 -0.49 -0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1wxt s LYS 9 CO 0.02 0.10 0.25 -1.64 -0.92 0.00 0.00 175.35 173.17 1wxt s MET 10 N -1.40 1.01 -0.06 1.68 -1.94 -1.00 -4.44 119.30 113.17 1wxt s MET 10 Ca -0.06 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 52.88 1wxt s MET 10 Cb -0.09 0.37 -0.03 0.00 2.01 0.00 0.00 34.83 37.09 1wxt s MET 10 CO 0.01 -0.35 -0.07 1.14 -0.01 0.00 0.00 175.02 175.73 1wxt s GLN 11 N -3.91 2.71 -0.28 2.03 -2.07 -0.23 -2.65 119.66 115.25 1wxt s GLN 11 Ca 0.11 -0.58 -0.29 0.00 -1.82 0.00 0.00 55.36 52.78 1wxt s GLN 11 Cb 0.04 -2.57 -0.01 0.00 -1.09 0.00 0.00 33.01 29.38 1wxt s GLN 11 CO -0.06 0.65 1.50 0.08 -1.32 0.00 0.00 175.29 176.15 1wxt s VAL 12 N -0.84 3.85 -0.01 3.63 1.01 -0.93 -2.04 120.40 125.07 1wxt s VAL 12 Ca 0.13 0.93 -0.22 0.00 0.00 0.00 0.00 61.98 62.82 1wxt s VAL 12 Cb -0.11 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 1wxt s VAL 12 CO 0.02 -0.43 0.94 -0.07 0.00 0.00 0.00 175.10 175.56 1wxt h LEU 13 N 11.70 -0.59 -8.54 3.92 3.38 -1.01 0.21 115.31 124.37 1wxt h LEU 13 Ca -0.30 -0.03 -0.62 0.00 0.09 0.00 0.00 57.88 57.02 1wxt h LEU 13 Cb 1.13 0.15 -0.28 0.00 0.09 0.00 0.00 40.66 41.75 1wxt h LEU 13 CO 1.03 -0.18 -0.86 -0.31 0.09 0.00 0.00 178.44 178.20 1wxt s TYR 14 N -4.13 1.98 0.45 1.13 2.02 -1.26 -4.50 117.35 113.04 1wxt s TYR 14 Ca -0.12 -0.38 -0.25 0.00 -0.37 0.00 0.00 57.07 55.95 1wxt s TYR 14 Cb 0.01 -1.23 -0.08 0.00 -0.40 0.00 0.00 41.96 40.26 1wxt s TYR 14 CO 0.38 0.03 1.43 -1.91 -1.57 0.00 0.00 175.55 173.91 1wxt n GLU 15 N 2.20 2.25 -4.22 -0.62 2.13 -1.26 -4.46 120.64 116.66 1wxt n GLU 15 Ca -0.16 0.80 -0.18 0.00 0.66 0.00 0.00 57.16 58.28 1wxt n GLU 15 Cb 0.53 -2.63 -0.15 0.00 0.27 0.00 0.00 31.44 29.45 1wxt n GLU 15 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1wxt s PHE 16 N -1.19 0.67 -0.55 4.31 5.36 -0.60 -4.91 117.98 121.07 1wxt s PHE 16 Ca 0.61 -0.15 -0.15 0.00 -0.96 0.00 0.00 56.93 56.28 1wxt s PHE 16 Cb -0.45 -0.50 0.13 0.00 -0.34 0.00 0.00 43.02 41.86 1wxt s PHE 16 CO 0.57 -0.08 0.50 -2.00 -1.46 0.00 0.00 175.22 172.75 1wxt s GLU 17 N 0.27 2.97 -0.21 10.12 2.12 -1.26 -2.21 118.70 130.51 1wxt s GLU 17 Ca -0.03 -1.75 -0.41 0.00 0.36 0.00 0.00 54.97 53.14 1wxt s GLU 17 Cb -0.08 -4.27 -0.17 0.00 0.26 0.00 0.00 34.13 29.87 1wxt s GLU 17 CO -0.00 -1.32 1.55 0.00 -0.54 0.00 0.00 175.26 174.95 1wxt n ALA 18 N 5.15 -0.99 -0.06 6.30 0.00 -1.26 -4.86 120.51 124.79 1wxt n ALA 18 Ca -0.12 0.46 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 1wxt n ALA 18 Cb 0.40 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.65 1wxt n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wxt n ARG 19 N 4.02 0.71 -2.76 0.00 1.74 -1.26 -4.89 116.66 114.21 1wxt n ARG 19 Ca 0.25 0.21 -0.32 0.00 -0.77 0.00 0.00 57.85 57.22 1wxt n ARG 19 Cb 0.10 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 29.88 1wxt n ARG 19 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1wxt s ASN 20 N -6.77 6.64 0.12 0.55 -0.87 -1.26 -4.96 114.94 108.40 1wxt s ASN 20 Ca -0.28 1.35 0.18 0.00 -1.57 0.00 0.00 52.86 52.55 1wxt s ASN 20 Cb 0.08 -2.41 0.78 0.00 -0.02 0.00 0.00 41.25 39.67 1wxt s ASN 20 CO 0.69 -0.42 1.57 -0.81 -2.57 0.00 0.00 177.10 175.57 1wxt n PRO 21 N -1.14 0.09 0.00 -0.60 -0.04 -1.26 -1.97 135.00 130.08 1wxt n PRO 21 Ca 0.04 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1wxt n PRO 21 Cb 0.54 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 1wxt n PRO 21 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wxt n ARG 22 N -1.84 0.69 -2.22 0.54 1.85 -1.26 -4.97 116.66 109.45 1wxt n ARG 22 Ca 0.03 -0.57 -0.27 0.00 -1.00 0.00 0.00 57.85 56.04 1wxt n ARG 22 Cb 0.19 -1.49 0.15 0.00 -1.05 0.00 0.00 32.46 30.26 1wxt n ARG 22 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1wxt s GLU 23 N -2.70 1.13 -0.05 2.89 2.02 -0.83 -4.02 118.70 117.15 1wxt s GLU 23 Ca 0.14 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 1wxt s GLU 23 Cb 0.17 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 32.37 1wxt s GLU 23 CO 0.70 -1.96 0.01 -1.17 0.02 0.00 0.00 175.26 172.85 1wxt s LEU 24 N -5.55 0.76 0.08 1.80 2.96 -1.26 -4.71 118.68 112.76 1wxt s LEU 24 Ca 0.70 -0.03 -0.31 0.00 -0.22 0.00 0.00 54.13 54.28 1wxt s LEU 24 Cb -0.05 -0.29 -0.08 0.00 0.50 0.00 0.00 46.19 46.28 1wxt s LEU 24 CO 0.49 -0.16 1.54 -0.89 -1.32 0.00 0.00 176.35 176.01 1wxt s THR 25 N 1.57 3.15 0.23 3.68 2.01 -1.26 -4.50 115.64 120.51 1wxt s THR 25 Ca -0.02 0.69 0.05 0.00 0.31 0.00 0.00 61.69 62.71 1wxt s THR 25 Cb -0.13 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1wxt s THR 25 CO -0.03 0.02 -0.04 0.68 -0.69 0.00 0.00 174.62 174.56 1wxt s VAL 26 N 2.03 1.28 0.13 3.82 -7.23 -0.94 -4.96 120.40 114.53 1wxt s VAL 26 Ca 0.69 -2.08 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 1wxt s VAL 26 Cb -0.38 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1wxt s VAL 26 CO 0.30 -0.39 -0.12 0.68 -0.31 0.00 0.00 175.10 175.27 1wxt s VAL 27 N -3.26 1.22 0.43 1.32 -7.23 -1.26 -1.55 120.40 110.07 1wxt s VAL 27 Ca 0.27 -1.86 -0.26 0.00 -1.81 0.00 0.00 61.98 58.32 1wxt s VAL 27 Cb 0.04 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 35.25 1wxt s VAL 27 CO 0.08 -0.58 1.38 -1.58 -0.31 0.00 0.00 175.10 174.09 1wxt s GLN 28 N -3.16 3.80 0.00 4.82 -0.44 -1.26 -2.64 119.66 120.78 1wxt s GLN 28 Ca 0.12 2.31 0.00 0.00 -2.50 0.00 0.00 55.36 55.29 1wxt s GLN 28 Cb -0.01 -2.70 0.00 0.00 -1.64 0.00 0.00 33.01 28.66 1wxt s GLN 28 CO 0.02 -0.69 0.00 0.41 0.50 0.00 0.00 175.29 175.53 1wxt n GLY 29 N 0.61 2.13 3.54 2.59 0.00 0.73 -4.94 105.19 109.84 1wxt n GLY 29 Ca 0.04 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1wxt n GLY 29 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wxt n GLU 30 N 0.00 0.75 -4.25 1.61 2.13 -1.08 -4.62 120.64 115.16 1wxt n GLU 30 Ca 0.00 0.29 -0.35 0.00 0.66 0.00 0.00 57.16 57.75 1wxt n GLU 30 Cb 0.00 -1.89 -0.09 0.00 0.27 0.00 0.00 31.44 29.73 1wxt n GLU 30 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wxt s LYS 31 N -2.28 3.16 0.06 5.31 1.02 -1.26 -2.19 119.74 123.55 1wxt s LYS 31 Ca 0.70 -0.35 -0.03 0.00 0.02 0.00 0.00 55.97 56.31 1wxt s LYS 31 Cb -0.46 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 1wxt s LYS 31 CO 0.52 0.68 0.04 -0.51 -0.92 0.00 0.00 175.35 175.16 1wxt s LEU 32 N -0.79 2.14 -0.31 3.17 1.43 -1.08 -4.80 118.68 118.44 1wxt s LEU 32 Ca 0.12 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.30 1wxt s LEU 32 Cb -0.12 0.46 0.02 0.00 0.03 0.00 0.00 46.19 46.58 1wxt s LEU 32 CO 0.02 -0.62 0.08 -0.70 0.23 0.00 0.00 176.35 175.36 1wxt s GLU 33 N -3.77 2.95 0.57 1.70 2.12 -1.14 -2.37 118.70 118.77 1wxt s GLU 33 Ca 0.05 -0.95 -0.20 0.00 0.36 0.00 0.00 54.97 54.24 1wxt s GLU 33 Cb 0.06 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1wxt s GLU 33 CO -0.10 -0.50 1.22 0.08 -0.54 0.00 0.00 175.26 175.42 1wxt s VAL 34 N 1.47 2.60 0.00 3.70 1.01 -0.28 -2.34 120.40 126.56 1wxt s VAL 34 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1wxt s VAL 34 Cb -0.18 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1wxt s VAL 34 CO 0.02 -0.06 0.00 0.18 0.00 0.00 0.00 175.10 175.24 1wxt n LEU 35 N -1.40 0.99 -3.76 3.92 4.77 0.18 -4.25 117.00 117.45 1wxt n LEU 35 Ca 0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.81 1wxt n LEU 35 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1wxt n LEU 35 CO 0.46 0.07 -0.29 -0.62 -1.33 0.00 0.00 177.39 175.69 1wxt s ASP 36 N -4.20 3.93 -0.59 -1.43 2.15 -1.16 -4.98 116.67 110.38 1wxt s ASP 36 Ca 0.00 -2.20 0.01 0.00 0.43 0.00 0.00 52.55 50.78 1wxt s ASP 36 Cb 0.00 -1.04 0.44 0.00 -0.30 0.00 0.00 42.92 42.01 1wxt s ASP 36 CO 0.00 -0.34 1.79 0.00 -0.17 0.00 0.00 175.17 176.45 1wxt n HIS 37 N 4.11 3.10 -0.03 -5.34 1.44 -1.26 -1.96 115.22 115.28 1wxt n HIS 37 Ca 0.04 -2.75 -0.03 0.00 -2.01 0.00 0.00 57.72 52.96 1wxt n HIS 37 Cb 0.38 -1.08 -0.01 0.00 0.12 0.00 0.00 29.99 29.40 1wxt n HIS 37 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1wxt n SER 38 N -0.79 0.82 -4.65 4.39 2.88 -1.26 -5.03 113.62 109.98 1wxt n SER 38 Ca 0.56 0.13 -0.30 0.00 -1.33 0.00 0.00 58.87 57.93 1wxt n SER 38 Cb 0.67 -0.51 0.17 0.00 -0.75 0.00 0.00 64.21 63.80 1wxt n SER 38 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1wxt s LYS 39 N -1.80 0.71 0.04 -1.46 -0.14 -1.26 -4.90 119.74 110.93 1wxt s LYS 39 Ca -0.11 1.22 -0.08 0.00 -1.36 0.00 0.00 55.97 55.65 1wxt s LYS 39 Cb 0.01 -1.72 -0.02 0.00 -1.68 0.00 0.00 37.83 34.43 1wxt s LYS 39 CO 0.16 -2.74 0.91 -2.13 -0.76 0.00 0.00 175.35 170.79 1wxt n ARG 40 N -4.27 -0.11 -2.70 1.68 0.63 -1.26 -4.32 116.66 106.30 1wxt n ARG 40 Ca 0.09 0.90 -0.36 0.00 -0.92 0.00 0.00 57.85 57.56 1wxt n ARG 40 Cb 0.53 -1.35 -0.06 0.00 0.45 0.00 0.00 32.46 32.04 1wxt n ARG 40 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wxt s TRP 41 N -3.78 3.44 -0.01 -0.14 0.52 -1.26 -4.56 118.94 113.15 1wxt s TRP 41 Ca -0.03 1.69 -0.02 0.00 0.02 0.00 0.00 56.10 57.76 1wxt s TRP 41 Cb 0.03 -2.98 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 1wxt s TRP 41 CO 0.16 -0.18 0.14 -1.58 0.02 0.00 0.00 176.95 175.51 1wxt s TRP 42 N -1.78 3.45 -0.24 -1.98 0.52 -0.64 -4.70 118.94 113.57 1wxt s TRP 42 Ca 0.56 0.31 -0.09 0.00 0.02 0.00 0.00 56.10 56.90 1wxt s TRP 42 Cb -0.17 -1.80 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1wxt s TRP 42 CO 0.22 0.61 0.11 -1.17 0.02 0.00 0.00 176.95 176.74 1wxt s LEU 43 N -1.83 3.71 0.27 2.99 2.96 -0.83 -1.01 118.68 124.95 1wxt s LEU 43 Ca 0.25 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 1wxt s LEU 43 Cb -0.12 -2.00 -0.06 0.00 0.50 0.00 0.00 46.19 44.51 1wxt s LEU 43 CO 0.16 0.01 -0.00 0.68 -1.32 0.00 0.00 176.35 175.88 1wxt s VAL 44 N 1.37 1.27 0.11 1.68 -7.23 -0.91 0.49 120.40 117.17 1wxt s VAL 44 Ca 0.06 -2.05 0.06 0.00 -1.81 0.00 0.00 61.98 58.24 1wxt s VAL 44 Cb -0.15 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 1wxt s VAL 44 CO 0.05 -0.23 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.71 1wxt s LYS 45 N -3.83 0.99 0.47 4.82 2.20 -0.99 -0.97 119.74 122.44 1wxt s LYS 45 Ca 0.31 -1.16 0.07 0.00 -0.36 0.00 0.00 55.97 54.83 1wxt s LYS 45 Cb 0.06 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 1wxt s LYS 45 CO 0.12 0.20 0.39 0.54 -0.36 0.00 0.00 175.35 176.23 1wxt s ASN 46 N -2.19 4.83 0.13 1.43 2.20 -0.69 -2.86 114.94 117.79 1wxt s ASN 46 Ca 0.06 -0.96 -0.22 0.00 -0.94 0.00 0.00 52.86 50.80 1wxt s ASN 46 Cb -0.07 -0.17 -0.01 0.00 -2.00 0.00 0.00 41.25 38.99 1wxt s ASN 46 CO 0.03 -0.83 1.67 -0.33 -2.94 0.00 0.00 177.10 174.70 1wxt h GLU 47 N 0.93 -0.16 -1.10 3.55 5.08 -1.91 -1.44 114.58 119.54 1wxt h GLU 47 Ca -0.39 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.35 1wxt h GLU 47 Cb 1.28 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.42 1wxt h GLU 47 CO 0.58 -0.11 0.65 0.00 -1.00 0.00 0.00 179.01 179.13 1wxt h ALA 48 N 0.92 2.25 0.00 3.43 0.00 -2.02 -3.44 119.26 120.40 1wxt h ALA 48 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1wxt h ALA 48 Cb 0.32 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wxt h ALA 48 CO -0.25 -0.89 0.00 0.41 0.00 0.00 0.00 179.25 178.52 1wxt n GLY 49 N -1.36 1.90 3.41 0.00 0.00 -0.54 -5.12 105.19 103.47 1wxt n GLY 49 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 1wxt n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxt s ARG 50 N -0.22 3.46 -0.15 1.61 0.52 -1.25 -4.91 118.95 118.01 1wxt s ARG 50 Ca 0.00 -0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 54.53 1wxt s ARG 50 Cb 0.00 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 1wxt s ARG 50 CO 0.00 0.23 -0.01 -1.54 0.02 0.00 0.00 175.30 173.99 1wxt s SER 51 N 0.34 5.02 0.00 0.23 1.04 -1.26 -1.71 113.70 117.36 1wxt s SER 51 Ca -0.09 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1wxt s SER 51 Cb -0.15 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1wxt s SER 51 CO 0.05 0.21 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1wxt n GLY 52 N 3.28 4.51 3.10 7.32 0.00 -0.14 -4.84 105.19 118.41 1wxt n GLY 52 Ca -0.17 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1wxt n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wxt s TYR 53 N -1.43 2.65 0.11 1.61 2.02 -1.26 -2.15 117.35 118.91 1wxt s TYR 53 Ca 0.00 -1.56 0.08 0.00 -0.37 0.00 0.00 57.07 55.22 1wxt s TYR 53 Cb 0.00 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1wxt s TYR 53 CO 0.00 -0.78 -0.20 0.96 -1.57 0.00 0.00 175.55 173.96 1wxt s ILE 54 N 1.33 1.67 -0.12 2.71 -4.36 -0.18 -4.31 121.20 117.93 1wxt s ILE 54 Ca 0.05 -1.60 -0.29 0.00 -0.26 0.00 0.00 60.65 58.55 1wxt s ILE 54 Cb -0.13 -1.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 1wxt s ILE 54 CO -0.12 -0.13 1.54 -2.16 0.24 0.00 0.00 174.94 174.30 1wxt s PRO 55 N -2.08 4.11 0.64 0.37 0.04 -1.26 -1.62 135.00 135.20 1wxt s PRO 55 Ca 0.07 1.94 0.19 0.00 0.04 0.00 0.00 61.00 63.24 1wxt s PRO 55 Cb -0.09 -3.94 0.92 0.00 0.04 0.00 0.00 34.50 31.43 1wxt s PRO 55 CO 0.04 -0.90 1.49 1.03 0.04 0.00 0.00 177.00 178.70 1wxt h SER 56 N 9.43 0.00 -0.86 6.66 0.87 -1.91 0.23 113.55 127.96 1wxt h SER 56 Ca -0.35 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.31 1wxt h SER 56 Cb 1.15 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.04 1wxt h SER 56 CO 0.97 0.00 0.51 -1.13 -0.53 0.00 0.00 176.83 176.65 1wxt h ASN 57 N 0.00 0.74 -0.55 6.23 -1.24 -1.95 -0.29 115.58 118.52 1wxt h ASN 57 Ca 0.12 0.04 -0.31 0.00 0.71 0.00 0.00 56.30 56.86 1wxt h ASN 57 Cb 1.60 -0.10 -0.17 0.00 0.73 0.00 0.00 38.32 40.38 1wxt h ASN 57 CO -0.00 0.43 0.40 2.30 -1.29 0.00 0.00 177.43 179.26 1wxt n ILE 58 N -4.70 2.39 -4.16 2.57 -5.35 0.80 -4.84 119.36 106.07 1wxt n ILE 58 Ca 0.14 -1.26 -0.16 0.00 -0.27 0.00 0.00 62.75 61.20 1wxt n ILE 58 Cb 0.27 -0.86 -0.12 0.00 -1.74 0.00 0.00 39.64 37.19 1wxt n ILE 58 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wxt s LEU 59 N -1.90 2.21 0.03 7.28 1.43 -0.12 -0.35 118.68 127.27 1wxt s LEU 59 Ca 0.33 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 1wxt s LEU 59 Cb 0.27 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 46.19 1wxt s LEU 59 CO 0.04 -0.09 0.50 -1.61 0.23 0.00 0.00 176.35 175.42 1wxt s GLU 60 N -1.34 0.99 -0.75 1.70 0.41 -0.86 -4.84 118.70 114.01 1wxt s GLU 60 Ca -0.04 -0.20 -0.26 0.00 -0.41 0.00 0.00 54.97 54.06 1wxt s GLU 60 Cb -0.09 0.45 -0.03 0.00 -1.78 0.00 0.00 34.13 32.68 1wxt s GLU 60 CO 0.01 -0.34 1.90 -1.25 -0.49 0.00 0.00 175.26 175.09 1wxt s PRO 61 N -2.24 2.59 0.05 0.39 0.04 -1.26 -1.06 135.00 133.51 1wxt s PRO 61 Ca -0.06 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 60.84 1wxt s PRO 61 Cb -0.01 -4.72 -0.08 0.00 0.04 0.00 0.00 34.50 29.73 1wxt s PRO 61 CO -0.00 -3.05 1.63 -0.48 0.04 0.00 0.00 177.00 175.14 1wxt s LEU 62 N 9.57 4.36 -0.23 -3.56 2.34 -1.26 -4.95 118.68 124.94 1wxt s LEU 62 Ca 0.69 2.43 -0.28 0.00 0.06 0.00 0.00 54.13 57.02 1wxt s LEU 62 Cb -0.10 -3.56 0.15 0.00 -0.56 0.00 0.00 46.19 42.13 1wxt s LEU 62 CO 0.10 -0.87 1.16 -0.55 -1.06 0.00 0.00 176.35 175.13 1wxt s SER 63 N 2.44 -0.25 0.00 1.48 0.15 -1.26 -4.98 113.70 111.28 1wxt s SER 63 Ca 0.73 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1wxt s SER 63 Cb -0.38 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wxt s SER 63 CO 0.32 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1wxt n GLY 64 N 1.01 0.29 0.00 9.45 0.00 -1.26 -4.72 105.19 109.96 1wxt n GLY 64 Ca -0.08 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.52 1wxt n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wxt n PRO 65 N 0.81 0.14 -0.27 1.61 -0.04 -1.26 -3.87 135.00 132.11 1wxt n PRO 65 Ca 0.00 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.73 1wxt n PRO 65 Cb 0.00 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.13 1wxt n PRO 65 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wxt n SER 66 N -1.36 -0.18 -4.53 3.54 7.64 -1.26 -3.05 113.62 114.42 1wxt n SER 66 Ca 0.06 1.32 -0.42 0.00 1.01 0.00 0.00 58.87 60.84 1wxt n SER 66 Cb 0.13 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 1wxt n SER 66 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wxt s SER 67 N -5.10 6.45 0.00 6.43 0.15 -1.25 -5.25 113.70 115.13 1wxt s SER 67 Ca -0.11 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.16 1wxt s SER 67 Cb 0.22 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1wxt s SER 67 CO 0.60 -1.46 0.00 0.61 1.20 0.00 0.00 173.24 174.19