#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1s n LEU 7 N 0.00 1.56 -0.06 2.46 4.77 -1.26 -4.58 117.00 119.89 1u1s n LEU 7 Ca 0.00 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.86 1u1s n LEU 7 Cb 0.00 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1u1s n LEU 7 CO 0.00 0.53 0.80 -0.61 -1.33 0.00 0.00 177.39 176.78 1u1s h GLN 8 N 0.00 -0.03 0.36 3.23 4.15 -2.01 -2.07 115.11 118.74 1u1s h GLN 8 Ca -0.32 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.08 1u1s h GLN 8 Cb 1.61 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.31 1u1s h GLN 8 CO -0.02 -0.02 -0.18 -0.44 -1.93 0.00 0.00 178.83 176.24 1u1s h ASP 9 N -0.03 -0.41 -0.04 -0.69 3.32 -1.99 -0.82 116.42 115.75 1u1s h ASP 9 Ca 0.13 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1u1s h ASP 9 Cb 0.23 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1u1s h ASP 9 CO -0.28 -0.27 -0.08 1.55 -1.72 0.00 0.00 179.24 178.44 1u1s h PRO 10 N -0.52 0.29 0.07 3.56 0.13 -1.80 0.11 132.00 133.84 1u1s h PRO 10 Ca -0.05 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1u1s h PRO 10 Cb 0.40 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1u1s h PRO 10 CO 0.08 0.39 -0.04 -0.92 -0.23 0.00 0.00 178.00 177.28 1u1s h TYR 11 N 0.28 -0.09 -0.51 1.56 3.20 -1.19 -0.47 116.97 119.75 1u1s h TYR 11 Ca 0.06 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 1u1s h TYR 11 Cb 0.33 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 1u1s h TYR 11 CO 0.01 0.06 0.02 -0.07 -1.64 0.00 0.00 178.16 176.53 1u1s h LEU 12 N -0.22 0.82 -1.19 2.82 3.38 -0.82 -2.37 115.31 117.73 1u1s h LEU 12 Ca -0.01 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1u1s h LEU 12 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1u1s h LEU 12 CO 0.02 0.87 -0.21 -1.13 0.09 0.00 0.00 178.44 178.08 1u1s h ASN 13 N 0.80 0.29 -0.25 -0.43 -1.24 -0.55 0.50 115.58 114.70 1u1s h ASN 13 Ca 0.15 -0.08 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 1u1s h ASN 13 Cb 0.45 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1u1s h ASN 13 CO 0.02 0.52 -0.13 0.74 -1.29 0.00 0.00 177.43 177.29 1u1s h THR 14 N 0.27 1.30 -0.76 -3.57 2.02 -0.76 0.17 112.91 111.58 1u1s h THR 14 Ca 0.05 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1u1s h THR 14 Cb 0.53 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1u1s h THR 14 CO 0.04 0.38 0.40 -0.07 0.37 0.00 0.00 175.52 176.64 1u1s h LEU 15 N 0.26 0.95 0.57 2.58 3.38 -1.00 -0.77 115.31 121.29 1u1s h LEU 15 Ca 0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1u1s h LEU 15 Cb 0.64 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1u1s h LEU 15 CO 0.04 0.78 -0.27 -0.09 0.09 0.00 0.00 178.44 178.98 1u1s h ARG 16 N 1.06 -0.74 -0.96 1.13 2.43 -0.67 -1.53 114.38 115.11 1u1s h ARG 16 Ca 0.27 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.58 1u1s h ARG 16 Cb 0.05 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 1u1s h ARG 16 CO -0.04 -0.46 0.59 0.87 -1.51 0.00 0.00 179.97 179.43 1u1s h LYS 17 N -1.15 0.97 -0.20 0.20 1.57 -0.61 -1.62 116.57 115.72 1u1s h LYS 17 Ca -0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1u1s h LYS 17 Cb 0.62 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1u1s h LYS 17 CO 0.13 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 180.04 1u1s n GLU 18 N -4.62 1.67 -4.02 3.15 1.02 -0.30 -4.93 120.64 112.62 1u1s n GLU 18 Ca 0.16 -1.02 -0.30 0.00 -0.02 0.00 0.00 57.16 55.98 1u1s n GLU 18 Cb 0.28 -1.34 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1u1s n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u1s n ARG 19 N 0.26 -4.04 -2.58 3.49 1.74 -0.61 -4.90 116.66 110.03 1u1s n ARG 19 Ca 0.14 0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 1u1s n ARG 19 Cb 0.29 -5.06 -0.03 0.00 -1.02 0.00 0.00 32.46 26.64 1u1s n ARG 19 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1u1s s VAL 20 N -3.51 4.53 0.29 1.55 1.01 -0.62 -5.00 120.40 118.66 1u1s s VAL 20 Ca 0.45 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.96 1u1s s VAL 20 Cb -0.24 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1u1s s VAL 20 CO 0.88 0.02 1.35 -2.84 0.00 0.00 0.00 175.10 174.51 1u1s s PRO 21 N 1.96 4.33 0.17 2.72 0.02 -1.26 -4.52 135.00 138.42 1u1s s PRO 21 Ca 0.52 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.79 1u1s s PRO 21 Cb -0.22 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1u1s s PRO 21 CO 0.21 -0.27 0.03 0.14 -0.33 0.00 0.00 177.00 176.78 1u1s s VAL 22 N -0.68 0.50 -0.16 3.83 -7.23 0.04 -1.18 120.40 115.52 1u1s s VAL 22 Ca 0.53 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1u1s s VAL 22 Cb -0.40 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1u1s s VAL 22 CO 0.49 -0.41 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.23 1u1s s SER 23 N -3.16 3.20 -0.30 4.85 0.01 -0.02 -2.14 113.70 116.14 1u1s s SER 23 Ca 0.26 -0.61 -0.08 0.00 1.31 0.00 0.00 55.95 56.84 1u1s s SER 23 Cb 0.07 -1.48 0.01 0.00 0.21 0.00 0.00 66.02 64.82 1u1s s SER 23 CO 0.05 0.04 0.10 -0.63 0.41 0.00 0.00 173.24 173.21 1u1s s ILE 24 N 1.03 4.12 -0.15 1.44 1.09 0.11 -0.83 121.20 128.02 1u1s s ILE 24 Ca -0.01 -0.66 -0.16 0.00 -1.10 0.00 0.00 60.65 58.72 1u1s s ILE 24 Cb -0.14 -3.14 -0.04 0.00 -1.06 0.00 0.00 42.46 38.08 1u1s s ILE 24 CO -0.06 0.05 0.37 -0.31 -0.10 0.00 0.00 174.94 174.88 1u1s s TYR 25 N 1.52 3.48 0.53 3.97 1.51 -0.07 -0.35 117.35 127.95 1u1s s TYR 25 Ca 0.03 0.71 -0.03 0.00 -1.01 0.00 0.00 57.07 56.76 1u1s s TYR 25 Cb -0.17 -2.43 0.00 0.00 -0.11 0.00 0.00 41.96 39.25 1u1s s TYR 25 CO 0.03 0.20 0.81 -0.51 -1.11 0.00 0.00 175.55 174.98 1u1s s LEU 26 N 0.55 3.40 0.59 -1.29 1.43 0.18 -0.07 118.68 123.48 1u1s s LEU 26 Ca 0.20 0.55 0.37 0.00 -1.03 0.00 0.00 54.13 54.22 1u1s s LEU 26 Cb -0.14 -3.40 1.82 0.00 0.03 0.00 0.00 46.19 44.50 1u1s s LEU 26 CO 0.06 -0.92 2.16 -0.37 0.23 0.00 0.00 176.35 177.52 1u1s h VAL 27 N 0.05 0.12 -0.13 -1.59 -1.51 -1.20 -1.36 116.25 110.63 1u1s h VAL 27 Ca -0.46 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1u1s h VAL 27 Cb 1.25 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 1u1s h VAL 27 CO 0.59 0.02 0.00 -0.46 -1.23 0.00 0.00 177.57 176.50 1u1s n ASN 28 N -3.20 1.56 0.00 4.19 0.23 -1.26 -4.92 115.26 111.86 1u1s n ASN 28 Ca -0.01 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 1u1s n ASN 28 Cb 0.20 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1u1s n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u1s n GLY 29 N 1.13 2.99 3.77 4.83 0.00 -0.51 -5.05 105.19 112.34 1u1s n GLY 29 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1u1s n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1s s ILE 30 N -2.76 2.35 -0.23 -0.61 -1.09 -1.26 -4.69 121.20 112.90 1u1s s ILE 30 Ca 0.00 0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 58.69 1u1s s ILE 30 Cb 0.00 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1u1s s ILE 30 CO 0.00 0.07 0.04 -0.75 -1.23 0.00 0.00 174.94 173.07 1u1s s LYS 31 N -1.57 3.61 0.04 2.79 2.20 -1.26 -0.64 119.74 124.91 1u1s s LYS 31 Ca 0.54 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 1u1s s LYS 31 Cb -0.44 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 1u1s s LYS 31 CO 0.55 -0.13 0.06 -0.51 -0.36 0.00 0.00 175.35 174.96 1u1s s LEU 32 N 1.43 3.77 0.03 5.43 1.43 0.53 -4.95 118.68 126.35 1u1s s LEU 32 Ca 0.05 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1u1s s LEU 32 Cb -0.15 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1u1s s LEU 32 CO 0.02 0.23 -0.10 -1.10 0.23 0.00 0.00 176.35 175.63 1u1s s GLN 33 N -2.01 0.67 0.00 1.70 -0.21 -1.26 0.06 119.66 118.61 1u1s s GLN 33 Ca 0.25 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1u1s s GLN 33 Cb -0.12 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.30 1u1s s GLN 33 CO 0.17 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 1u1s n GLY 34 N 1.88 -0.42 3.47 3.09 0.00 -0.91 -4.77 105.19 107.54 1u1s n GLY 34 Ca -0.19 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1u1s n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u1s s GLN 35 N -2.00 2.09 -0.29 1.61 -0.21 -0.77 -0.78 119.66 119.31 1u1s s GLN 35 Ca 0.00 -0.98 -0.29 0.00 0.02 0.00 0.00 55.36 54.11 1u1s s GLN 35 Cb 0.00 -2.21 0.00 0.00 1.00 0.00 0.00 33.01 31.80 1u1s s GLN 35 CO 0.00 0.54 1.30 0.42 -2.12 0.00 0.00 175.29 175.43 1u1s s ILE 36 N -0.96 4.15 0.01 1.08 1.09 -1.26 -1.35 121.20 123.97 1u1s s ILE 36 Ca 0.15 1.31 -0.17 0.00 -1.10 0.00 0.00 60.65 60.84 1u1s s ILE 36 Cb -0.11 -4.15 -0.35 0.00 -1.06 0.00 0.00 42.46 36.79 1u1s s ILE 36 CO 0.06 -0.46 0.97 -0.08 -0.10 0.00 0.00 174.94 175.33 1u1s h GLU 37 N 9.22 0.50 -2.14 2.79 4.81 -1.15 -3.40 114.58 125.22 1u1s h GLU 37 Ca -0.26 -0.86 0.23 0.00 -0.13 0.00 0.00 59.36 58.33 1u1s h GLU 37 Cb 1.10 0.32 -0.08 0.00 0.63 0.00 0.00 28.75 30.72 1u1s h GLU 37 CO 1.03 1.41 0.63 -1.54 -0.73 0.00 0.00 179.01 179.81 1u1s s SER 38 N -7.49 -0.09 0.09 1.04 1.04 -1.21 -5.01 113.70 102.08 1u1s s SER 38 Ca -0.10 -0.39 -0.26 0.00 0.48 0.00 0.00 55.95 55.68 1u1s s SER 38 Cb 0.04 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.62 1u1s s SER 38 CO 0.93 -0.72 0.79 0.72 0.98 0.00 0.00 173.24 175.93 1u1s s PHE 39 N -2.69 -0.37 0.00 5.02 -0.71 -1.26 -0.28 117.98 117.69 1u1s s PHE 39 Ca 0.16 0.16 0.00 0.00 -1.04 0.00 0.00 56.93 56.21 1u1s s PHE 39 Cb 0.00 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.38 1u1s s PHE 39 CO 0.01 -0.74 0.00 -0.40 -1.34 0.00 0.00 175.22 172.75 1u1s n ASP 40 N -0.34 0.09 -0.08 1.98 5.68 -0.42 -5.01 116.55 118.45 1u1s n ASP 40 Ca -0.11 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.21 1u1s n ASP 40 Cb 0.62 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.95 1u1s n ASP 40 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1u1s h GLN 41 N 0.00 0.71 0.00 0.11 4.15 -2.04 -3.34 115.11 114.71 1u1s h GLN 41 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1u1s h GLN 41 Cb 0.00 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1u1s h GLN 41 CO 0.00 0.49 -1.14 1.19 -1.93 0.00 0.00 178.83 177.44 1u1s n PHE 42 N -4.44 0.00 -4.29 3.99 3.72 -1.26 -4.98 117.46 110.21 1u1s n PHE 42 Ca 0.05 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.29 1u1s n PHE 42 Cb 0.06 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.38 1u1s n PHE 42 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1u1s s VAL 43 N -2.30 0.97 -0.05 -4.37 -7.23 -1.25 -0.89 120.40 105.27 1u1s s VAL 43 Ca -0.02 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1u1s s VAL 43 Cb 0.04 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.83 1u1s s VAL 43 CO 0.26 -0.46 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.87 1u1s s ILE 44 N -3.46 0.85 -0.34 -0.62 1.01 -0.09 -1.31 121.20 117.25 1u1s s ILE 44 Ca 0.25 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1u1s s ILE 44 Cb 0.05 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 1u1s s ILE 44 CO 0.06 0.29 0.41 -0.22 0.00 0.00 0.00 174.94 175.48 1u1s s LEU 45 N 0.74 4.37 -0.10 2.97 2.96 0.61 -0.33 118.68 129.90 1u1s s LEU 45 Ca -0.13 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1u1s s LEU 45 Cb -0.15 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1u1s s LEU 45 CO 0.02 -0.37 0.10 -0.22 -1.32 0.00 0.00 176.35 174.56 1u1s s LEU 46 N 2.14 4.13 -0.03 -0.68 2.96 -0.20 -0.51 118.68 126.49 1u1s s LEU 46 Ca 0.14 0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.32 1u1s s LEU 46 Cb -0.16 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.50 1u1s s LEU 46 CO 0.12 0.38 0.18 -1.59 -1.32 0.00 0.00 176.35 174.12 1u1s s LYS 47 N -1.08 0.40 0.00 1.98 0.00 -0.46 -1.04 119.74 119.54 1u1s s LYS 47 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 55.97 56.01 1u1s s LYS 47 Cb -0.12 0.18 0.00 0.00 0.00 0.00 0.00 37.83 37.89 1u1s s LYS 47 CO 0.05 -0.09 0.00 -1.71 0.00 0.00 0.00 175.35 173.60 1u1s n ASN 48 N 2.03 0.00 0.11 0.03 4.05 -1.26 -1.84 115.26 118.38 1u1s n ASN 48 Ca -0.19 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.66 1u1s n ASN 48 Cb 0.57 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.44 1u1s n ASN 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1u1s h THR 49 N 0.00 1.43 -3.38 -0.44 1.03 -1.97 -3.44 112.91 106.14 1u1s h THR 49 Ca 0.00 -2.91 -0.35 0.00 -0.01 0.00 0.00 66.41 63.14 1u1s h THR 49 Cb 0.00 2.94 -0.37 0.00 -1.07 0.00 0.00 68.15 69.65 1u1s h THR 49 CO 0.00 0.86 -0.74 -0.69 -0.01 0.00 0.00 175.52 174.94 1u1s s VAL 50 N -2.69 -0.08 -0.12 0.00 1.01 -1.26 -5.13 120.40 112.13 1u1s s VAL 50 Ca -0.06 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 1u1s s VAL 50 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 1u1s s VAL 50 CO 0.90 0.15 0.58 -0.55 0.00 0.00 0.00 175.10 176.19 1u1s s SER 51 N 1.79 6.77 0.00 3.32 0.15 -1.26 -4.24 113.70 120.24 1u1s s SER 51 Ca 0.00 0.92 -0.25 0.00 0.70 0.00 0.00 55.95 57.33 1u1s s SER 51 Cb -0.12 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 1u1s s SER 51 CO -0.03 -0.11 0.56 0.00 1.20 0.00 0.00 173.24 174.87 1u1s s GLN 52 N 1.02 1.01 -0.26 5.44 -2.07 -0.21 -5.01 119.66 119.59 1u1s s GLN 52 Ca 0.30 -0.03 -0.12 0.00 -1.82 0.00 0.00 55.36 53.68 1u1s s GLN 52 Cb -0.16 0.47 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1u1s s GLN 52 CO 0.13 -0.34 0.25 1.41 -1.32 0.00 0.00 175.29 175.41 1u1s s MET 53 N -1.84 4.03 -0.16 9.60 -2.45 -1.26 -1.03 119.30 126.18 1u1s s MET 53 Ca -0.08 -0.16 -0.04 0.00 -1.25 0.00 0.00 55.69 54.15 1u1s s MET 53 Cb -0.01 -3.61 -0.03 0.00 1.25 0.00 0.00 34.83 32.43 1u1s s MET 53 CO 0.03 -0.12 -0.02 0.08 1.05 0.00 0.00 175.02 176.04 1u1s s VAL 54 N 1.58 4.01 -0.04 10.11 1.01 0.55 -4.95 120.40 132.67 1u1s s VAL 54 Ca 0.10 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1u1s s VAL 54 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1u1s s VAL 54 CO 0.09 0.49 1.01 -0.31 0.00 0.00 0.00 175.10 176.37 1u1s s TYR 55 N 0.39 3.58 0.41 5.22 2.02 -1.26 -0.91 117.35 126.80 1u1s s TYR 55 Ca -0.03 1.63 0.10 0.00 -0.37 0.00 0.00 57.07 58.40 1u1s s TYR 55 Cb -0.14 -3.17 0.93 0.00 -0.40 0.00 0.00 41.96 39.18 1u1s s TYR 55 CO 0.03 -0.18 2.00 0.87 -1.57 0.00 0.00 175.55 176.69 1u1s h LYS 56 N 6.93 0.50 0.00 -0.62 1.57 -1.36 -0.92 116.57 122.67 1u1s h LYS 56 Ca -0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1u1s h LYS 56 Cb 1.19 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1u1s h LYS 56 CO 0.80 0.33 0.00 1.12 -0.57 0.00 0.00 179.45 181.12 1u1s h HIS 57 N 0.51 0.00 -0.03 -1.35 2.07 -1.92 0.24 115.15 114.68 1u1s h HIS 57 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 1u1s h HIS 57 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 1u1s h HIS 57 CO -0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.84 1u1s n ALA 58 N -1.81 2.50 -2.64 6.11 0.00 -0.35 -4.94 120.51 119.38 1u1s n ALA 58 Ca -0.01 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.38 1u1s n ALA 58 Cb 0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1u1s n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1u1s s ILE 59 N -1.92 5.18 -0.24 0.00 -1.09 0.07 -0.71 121.20 122.50 1u1s s ILE 59 Ca 0.26 0.69 -0.16 0.00 -2.23 0.00 0.00 60.65 59.21 1u1s s ILE 59 Cb 0.19 -3.66 -0.11 0.00 -1.58 0.00 0.00 42.46 37.30 1u1s s ILE 59 CO 0.30 0.51 -0.26 -1.54 -1.23 0.00 0.00 174.94 172.72 1u1s n SER 60 N 2.47 1.93 -3.96 3.58 3.41 0.90 -4.70 113.62 117.25 1u1s n SER 60 Ca -0.14 0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 58.76 1u1s n SER 60 Cb 0.53 -0.83 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 1u1s n SER 60 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u1s s THR 61 N -2.55 0.16 -0.17 6.66 -4.23 -0.99 -5.01 115.64 109.50 1u1s s THR 61 Ca -0.34 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1u1s s THR 61 Cb 0.11 -1.11 0.03 0.00 1.34 0.00 0.00 72.50 72.86 1u1s s THR 61 CO 0.48 -0.71 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.01 1u1s s VAL 62 N -3.13 1.73 -0.25 2.29 1.01 -1.26 -0.89 120.40 119.90 1u1s s VAL 62 Ca -0.01 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1u1s s VAL 62 Cb 0.02 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1u1s s VAL 62 CO -0.07 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.62 1u1s s VAL 63 N 1.41 2.20 0.68 2.92 1.01 -0.01 -4.98 120.40 123.63 1u1s s VAL 63 Ca 0.03 -1.47 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 1u1s s VAL 63 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1u1s s VAL 63 CO -0.11 0.09 1.09 -2.84 0.00 0.00 0.00 175.10 173.33 1u1s s PRO 64 N 1.15 2.76 0.13 2.72 0.02 -1.26 -0.84 135.00 139.68 1u1s s PRO 64 Ca -0.06 1.26 0.25 0.00 0.02 0.00 0.00 61.00 62.48 1u1s s PRO 64 Cb -0.19 -1.95 0.95 0.00 0.02 0.00 0.00 34.50 33.33 1u1s s PRO 64 CO -0.06 -1.26 1.78 -1.13 -0.33 0.00 0.00 177.00 175.99 1u1s n SER 65 N -2.70 0.45 -3.73 2.53 3.41 -0.33 -4.85 113.62 108.40 1u1s n SER 65 Ca 0.09 0.56 -0.10 0.00 -0.26 0.00 0.00 58.87 59.16 1u1s n SER 65 Cb 0.52 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 1u1s n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1s s ARG 66 N -3.09 1.11 0.57 4.33 1.70 -1.26 -5.08 118.95 117.23 1u1s s ARG 66 Ca 0.10 -0.84 -0.20 0.00 -0.47 0.00 0.00 55.73 54.32 1u1s s ARG 66 Cb 0.14 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 1u1s s ARG 66 CO 0.50 -0.43 1.24 -2.14 -1.08 0.00 0.00 175.30 173.39 1u1s s PRO 67 N -3.85 3.06 0.07 3.89 0.02 -1.26 -5.03 135.00 131.90 1u1s s PRO 67 Ca 0.06 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.01 1u1s s PRO 67 Cb 0.02 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1u1s s PRO 67 CO -0.08 -1.16 -0.05 0.14 -0.33 0.00 0.00 177.00 175.51 1u1s s VAL 68 N -1.51 0.48 0.17 3.83 -7.23 -1.26 -5.11 120.40 109.77 1u1s s VAL 68 Ca 0.75 -1.80 -0.32 0.00 -1.81 0.00 0.00 61.98 58.81 1u1s s VAL 68 Cb -0.33 -1.50 -0.11 0.00 0.56 0.00 0.00 36.38 35.00 1u1s s VAL 68 CO 0.36 -0.88 1.79 -1.14 -0.31 0.00 0.00 175.10 174.92 1u1s n ARG 69 N 0.17 2.82 -3.81 4.82 0.63 -1.26 -4.97 116.66 115.06 1u1s n ARG 69 Ca -0.14 1.02 -0.32 0.00 -0.92 0.00 0.00 57.85 57.49 1u1s n ARG 69 Cb 0.60 -2.90 -0.05 0.00 0.45 0.00 0.00 32.46 30.57 1u1s n ARG 69 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1u1s s LEU 70 N 1.93 4.34 0.00 6.15 1.43 -1.26 -4.95 118.68 126.32 1u1s s LEU 70 Ca 0.78 0.44 0.26 0.00 -1.03 0.00 0.00 54.13 54.58 1u1s s LEU 70 Cb -0.48 -2.96 1.58 0.00 0.03 0.00 0.00 46.19 44.35 1u1s s LEU 70 CO 0.34 0.16 1.93 -0.81 0.23 0.00 0.00 176.35 178.21