#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1t n LEU 7 N 0.00 0.00 -0.13 2.46 7.94 -1.26 -4.68 117.00 121.33 1u1t n LEU 7 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 1u1t n LEU 7 Cb 0.00 0.04 -0.01 0.00 0.53 0.00 0.00 43.42 43.98 1u1t n LEU 7 CO 0.00 0.04 0.88 -0.61 -1.11 0.00 0.00 177.39 176.59 1u1t h GLN 8 N 0.00 0.59 0.50 1.96 4.15 -2.04 -2.63 115.11 117.64 1u1t h GLN 8 Ca -0.05 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.22 1u1t h GLN 8 Cb 1.06 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1u1t h GLN 8 CO 0.00 0.61 -0.24 -0.44 -1.93 0.00 0.00 178.83 176.83 1u1t h ASP 9 N 0.46 -0.56 -0.79 -0.69 3.32 -2.00 -0.95 116.42 115.21 1u1t h ASP 9 Ca 0.12 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1u1t h ASP 9 Cb 0.27 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1u1t h ASP 9 CO -0.00 -0.32 0.52 -0.65 -1.72 0.00 0.00 179.24 177.07 1u1t h PRO 10 N -0.79 0.96 0.38 3.56 0.11 -1.84 0.00 132.00 134.39 1u1t h PRO 10 Ca -0.07 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1u1t h PRO 10 Cb 0.56 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1u1t h PRO 10 CO 0.11 0.63 -0.18 -0.92 -0.21 0.00 0.00 178.00 177.43 1u1t h TYR 11 N 0.99 -0.47 -0.26 0.65 3.20 -1.34 -1.26 116.97 118.48 1u1t h TYR 11 Ca 0.31 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 1u1t h TYR 11 Cb 0.02 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1u1t h TYR 11 CO -0.00 -0.24 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.17 1u1t h LEU 12 N -0.60 0.37 -0.89 2.82 3.38 -0.94 -2.37 115.31 117.07 1u1t h LEU 12 Ca -0.05 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 1u1t h LEU 12 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1u1t h LEU 12 CO 0.09 0.46 -0.33 -1.13 0.09 0.00 0.00 178.44 177.62 1u1t h ASN 13 N 0.38 0.43 -0.36 -0.43 -1.24 -0.80 -0.42 115.58 113.14 1u1t h ASN 13 Ca 0.08 -0.16 -0.10 0.00 0.71 0.00 0.00 56.30 56.83 1u1t h ASN 13 Cb 0.32 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 1u1t h ASN 13 CO 0.01 0.74 -0.15 0.74 -1.29 0.00 0.00 177.43 177.48 1u1t h THR 14 N 0.36 1.28 -0.46 -3.57 2.02 -0.74 0.14 112.91 111.94 1u1t h THR 14 Ca 0.04 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 65.90 1u1t h THR 14 Cb 0.76 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1u1t h THR 14 CO 0.06 0.42 0.06 -0.07 0.37 0.00 0.00 175.52 176.35 1u1t h LEU 15 N 0.53 0.67 0.47 2.58 3.38 -1.20 -0.84 115.31 120.89 1u1t h LEU 15 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1u1t h LEU 15 Cb 0.69 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1u1t h LEU 15 CO 0.05 0.70 -0.22 -0.09 0.09 0.00 0.00 178.44 178.97 1u1t h ARG 16 N 0.68 -0.60 -0.58 1.13 2.43 -0.80 -1.61 114.38 115.03 1u1t h ARG 16 Ca 0.15 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.47 1u1t h ARG 16 Cb 0.34 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 29.93 1u1t h ARG 16 CO 0.01 -0.36 0.05 0.87 -1.51 0.00 0.00 179.97 179.03 1u1t h LYS 17 N -1.12 0.16 -0.00 0.20 1.79 -0.69 -0.40 116.57 116.50 1u1t h LYS 17 Ca -0.06 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1u1t h LYS 17 Cb 0.52 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1u1t h LYS 17 CO 0.10 0.11 -0.02 0.39 -1.08 0.00 0.00 179.45 178.96 1u1t n GLU 18 N -5.21 0.99 -3.61 3.15 1.02 -0.33 -4.91 120.64 111.73 1u1t n GLU 18 Ca 0.08 -0.18 -0.27 0.00 -0.02 0.00 0.00 57.16 56.77 1u1t n GLU 18 Cb 0.32 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1u1t n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1u1t n ARG 19 N -0.85 -4.82 -2.11 3.49 1.74 -0.16 -4.90 116.66 109.05 1u1t n ARG 19 Ca 0.21 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 1u1t n ARG 19 Cb 0.19 -5.45 -0.03 0.00 -1.02 0.00 0.00 32.46 26.15 1u1t n ARG 19 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1u1t s VAL 20 N -3.17 3.14 0.18 1.55 1.01 -0.67 -4.97 120.40 117.47 1u1t s VAL 20 Ca 0.53 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 63.02 1u1t s VAL 20 Cb -0.27 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1u1t s VAL 20 CO 0.66 0.06 1.47 -2.84 0.00 0.00 0.00 175.10 174.45 1u1t s PRO 21 N 1.15 4.26 0.19 2.72 0.02 -1.26 -4.50 135.00 137.59 1u1t s PRO 21 Ca 0.66 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.96 1u1t s PRO 21 Cb -0.38 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 30.92 1u1t s PRO 21 CO 0.30 -0.49 0.01 0.14 -0.33 0.00 0.00 177.00 176.63 1u1t s VAL 22 N 0.71 0.75 -0.07 3.83 -7.23 0.60 -0.72 120.40 118.26 1u1t s VAL 22 Ca 0.65 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 1u1t s VAL 22 Cb -0.41 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1u1t s VAL 22 CO 0.35 -0.40 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.08 1u1t s SER 23 N -3.22 3.24 -0.22 4.85 0.01 -0.06 -1.97 113.70 116.34 1u1t s SER 23 Ca 0.26 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.05 1u1t s SER 23 Cb 0.06 -1.06 0.03 0.00 0.21 0.00 0.00 66.02 65.26 1u1t s SER 23 CO 0.06 0.22 -0.14 -0.63 0.41 0.00 0.00 173.24 173.16 1u1t s ILE 24 N -0.03 2.35 -0.14 1.44 1.01 0.10 -0.40 121.20 125.54 1u1t s ILE 24 Ca -0.07 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 1u1t s ILE 24 Cb -0.15 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1u1t s ILE 24 CO 0.05 0.33 0.35 -0.31 0.00 0.00 0.00 174.94 175.36 1u1t s TYR 25 N 1.27 3.50 0.46 3.97 1.51 0.18 -0.39 117.35 127.84 1u1t s TYR 25 Ca 0.01 0.70 -0.04 0.00 -1.01 0.00 0.00 57.07 56.73 1u1t s TYR 25 Cb -0.15 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 1u1t s TYR 25 CO -0.09 0.26 0.74 -0.51 -1.11 0.00 0.00 175.55 174.84 1u1t s LEU 26 N 0.37 3.69 0.48 -1.29 1.43 0.27 0.04 118.68 123.69 1u1t s LEU 26 Ca 0.19 0.81 0.33 0.00 -1.03 0.00 0.00 54.13 54.43 1u1t s LEU 26 Cb -0.14 -3.74 1.77 0.00 0.03 0.00 0.00 46.19 44.11 1u1t s LEU 26 CO 0.06 -0.54 2.00 -0.37 0.23 0.00 0.00 176.35 177.73 1u1t h VAL 27 N 0.32 0.00 -0.58 -1.59 -1.51 -1.08 0.13 116.25 111.95 1u1t h VAL 27 Ca -0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1u1t h VAL 27 Cb 1.21 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1u1t h VAL 27 CO 0.61 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.49 1u1t n ASN 28 N -2.64 3.31 0.00 4.19 0.23 -1.26 -4.94 115.26 114.15 1u1t n ASN 28 Ca -0.02 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 1u1t n ASN 28 Cb 0.05 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 1u1t n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u1t n GLY 29 N 1.35 2.42 3.76 4.83 0.00 0.04 -5.05 105.19 112.54 1u1t n GLY 29 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1u1t n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1t s ILE 30 N -2.30 2.68 -0.22 -0.61 1.01 -1.26 -4.70 121.20 115.79 1u1t s ILE 30 Ca 0.00 0.64 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 1u1t s ILE 30 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1u1t s ILE 30 CO 0.00 0.13 0.04 -0.75 0.00 0.00 0.00 174.94 174.36 1u1t s LYS 31 N -1.32 3.66 0.04 2.79 2.20 -1.26 -0.56 119.74 125.29 1u1t s LYS 31 Ca 0.53 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1u1t s LYS 31 Cb -0.41 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1u1t s LYS 31 CO 0.50 -0.06 0.00 -0.51 -0.36 0.00 0.00 175.35 174.92 1u1t s LEU 32 N 1.24 3.50 0.04 5.43 1.43 0.47 -4.94 118.68 125.84 1u1t s LEU 32 Ca 0.04 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1u1t s LEU 32 Cb -0.15 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1u1t s LEU 32 CO 0.02 0.23 -0.12 -1.10 0.23 0.00 0.00 176.35 175.61 1u1t s GLN 33 N -1.92 0.79 0.00 1.70 -0.21 -1.26 0.03 119.66 118.79 1u1t s GLN 33 Ca 0.23 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1u1t s GLN 33 Cb -0.12 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.15 1u1t s GLN 33 CO 0.14 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 1u1t n GLY 34 N 1.85 -0.49 3.12 3.09 0.00 -0.83 -4.64 105.19 107.29 1u1t n GLY 34 Ca -0.19 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1u1t n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u1t s GLN 35 N -1.98 0.55 -0.34 1.61 -2.07 -0.45 -0.29 119.66 116.69 1u1t s GLN 35 Ca 0.00 -0.55 -0.29 0.00 -1.82 0.00 0.00 55.36 52.70 1u1t s GLN 35 Cb 0.00 0.23 0.01 0.00 -1.09 0.00 0.00 33.01 32.16 1u1t s GLN 35 CO 0.00 -0.14 1.24 0.42 -1.32 0.00 0.00 175.29 175.49 1u1t s ILE 36 N -1.98 4.20 -0.04 3.63 -1.09 -1.26 -1.39 121.20 123.27 1u1t s ILE 36 Ca -0.10 1.34 -0.11 0.00 -2.23 0.00 0.00 60.65 59.55 1u1t s ILE 36 Cb -0.04 -4.28 -0.31 0.00 -1.58 0.00 0.00 42.46 36.25 1u1t s ILE 36 CO -0.01 -0.58 0.69 -0.08 -1.23 0.00 0.00 174.94 173.73 1u1t h GLU 37 N 9.17 0.40 -2.21 2.79 4.81 -1.24 -3.39 114.58 124.91 1u1t h GLU 37 Ca -0.25 -0.68 0.21 0.00 -0.13 0.00 0.00 59.36 58.51 1u1t h GLU 37 Cb 1.09 0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.64 1u1t h GLU 37 CO 1.05 1.32 0.59 -1.54 -0.73 0.00 0.00 179.01 179.70 1u1t s SER 38 N -7.30 -0.10 0.06 1.04 1.04 -1.23 -5.00 113.70 102.20 1u1t s SER 38 Ca -0.15 -0.42 -0.27 0.00 0.48 0.00 0.00 55.95 55.58 1u1t s SER 38 Cb 0.05 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.68 1u1t s SER 38 CO 0.86 -0.80 0.89 0.72 0.98 0.00 0.00 173.24 175.89 1u1t s PHE 39 N -2.80 -0.29 0.00 5.02 -0.12 -1.26 -0.00 117.98 118.52 1u1t s PHE 39 Ca 0.16 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 57.13 1u1t s PHE 39 Cb -0.00 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1u1t s PHE 39 CO 0.02 -0.65 0.00 -0.40 -0.05 0.00 0.00 175.22 174.13 1u1t n ASP 40 N -0.32 0.00 0.19 1.98 5.68 -0.56 -5.01 116.55 118.50 1u1t n ASP 40 Ca -0.08 -0.52 0.14 0.00 -0.50 0.00 0.00 54.79 53.83 1u1t n ASP 40 Cb 0.62 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.33 1u1t n ASP 40 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1u1t h GLN 41 N 0.00 0.00 0.00 0.11 4.15 -2.04 -3.29 115.11 114.04 1u1t h GLN 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1u1t h GLN 41 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1u1t h GLN 41 CO 0.00 0.00 -0.50 1.19 -1.93 0.00 0.00 178.83 177.59 1u1t n PHE 42 N -4.25 0.00 -4.19 3.99 3.72 -1.26 -4.98 117.46 110.50 1u1t n PHE 42 Ca 0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.30 1u1t n PHE 42 Cb 0.27 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.71 1u1t n PHE 42 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1u1t s VAL 43 N -1.47 0.25 -0.03 -4.37 -7.23 -1.24 -1.15 120.40 105.16 1u1t s VAL 43 Ca 0.00 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1u1t s VAL 43 Cb 0.00 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1u1t s VAL 43 CO 0.00 -0.37 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.67 1u1t s ILE 44 N -3.96 0.96 -0.38 -0.62 1.01 0.01 -1.49 121.20 116.72 1u1t s ILE 44 Ca 0.27 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 1u1t s ILE 44 Cb 0.07 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.70 1u1t s ILE 44 CO 0.04 0.29 0.51 -0.22 0.00 0.00 0.00 174.94 175.57 1u1t s LEU 45 N 0.15 4.50 -0.26 2.97 2.96 0.99 -0.56 118.68 129.45 1u1t s LEU 45 Ca -0.03 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1u1t s LEU 45 Cb -0.09 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1u1t s LEU 45 CO 0.01 -0.56 0.11 -0.22 -1.32 0.00 0.00 176.35 174.37 1u1t s LEU 46 N 2.40 3.63 -0.15 -0.68 2.96 0.10 -0.62 118.68 126.31 1u1t s LEU 46 Ca 0.18 -0.14 -0.10 0.00 -0.22 0.00 0.00 54.13 53.85 1u1t s LEU 46 Cb -0.16 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1u1t s LEU 46 CO 0.14 -0.04 0.17 -0.75 -1.32 0.00 0.00 176.35 174.56 1u1t s LYS 47 N 1.66 3.87 0.00 1.98 2.20 -0.49 -1.37 119.74 127.61 1u1t s LYS 47 Ca 0.07 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1u1t s LYS 47 Cb -0.15 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1u1t s LYS 47 CO 0.06 0.51 0.00 -1.71 -0.36 0.00 0.00 175.35 173.85 1u1t n ASN 48 N 2.79 4.42 -0.33 1.43 5.15 -1.26 -1.34 115.26 126.12 1u1t n ASN 48 Ca -0.17 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 53.99 1u1t n ASN 48 Cb 0.53 0.00 0.39 0.00 -0.53 0.00 0.00 39.78 40.17 1u1t n ASN 48 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1u1t h THR 49 N 0.00 0.44 -3.61 -0.44 2.02 -1.95 -3.39 112.91 105.97 1u1t h THR 49 Ca 0.00 -0.15 -0.15 0.00 0.77 0.00 0.00 66.41 66.88 1u1t h THR 49 Cb 0.00 -0.05 -0.21 0.00 -1.74 0.00 0.00 68.15 66.16 1u1t h THR 49 CO 0.00 0.08 -0.53 0.68 0.37 0.00 0.00 175.52 176.12 1u1t s VAL 50 N -5.77 0.09 0.56 3.16 -7.23 -1.26 -5.16 120.40 104.78 1u1t s VAL 50 Ca -0.11 -0.75 -0.12 0.00 -1.81 0.00 0.00 61.98 59.19 1u1t s VAL 50 Cb 0.28 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.74 1u1t s VAL 50 CO 0.79 -0.41 0.98 -0.55 -0.31 0.00 0.00 175.10 175.60 1u1t s SER 51 N -1.43 6.39 -0.08 4.85 0.15 -1.26 -4.70 113.70 117.61 1u1t s SER 51 Ca -0.15 1.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.62 1u1t s SER 51 Cb -0.08 -2.46 0.09 0.00 -1.71 0.00 0.00 66.02 61.87 1u1t s SER 51 CO 0.01 -0.72 0.81 0.00 1.20 0.00 0.00 173.24 174.53 1u1t s GLN 52 N -4.68 0.88 -0.21 5.44 -2.07 -0.47 -4.98 119.66 113.57 1u1t s GLN 52 Ca 0.56 0.16 -0.13 0.00 -1.82 0.00 0.00 55.36 54.12 1u1t s GLN 52 Cb -0.11 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1u1t s GLN 52 CO 0.44 -0.29 0.29 1.41 -1.32 0.00 0.00 175.29 175.82 1u1t s MET 53 N -1.34 4.14 -0.15 9.60 -2.45 -1.26 -0.73 119.30 127.11 1u1t s MET 53 Ca -0.06 -0.00 -0.02 0.00 -1.25 0.00 0.00 55.69 54.36 1u1t s MET 53 Cb -0.00 -3.52 -0.02 0.00 1.25 0.00 0.00 34.83 32.54 1u1t s MET 53 CO 0.05 0.04 -0.09 0.08 1.05 0.00 0.00 175.02 176.15 1u1t s VAL 54 N 1.10 3.33 0.00 10.11 1.01 0.28 -4.96 120.40 131.27 1u1t s VAL 54 Ca 0.14 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1u1t s VAL 54 Cb -0.14 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1u1t s VAL 54 CO 0.06 0.50 1.02 -0.31 0.00 0.00 0.00 175.10 176.38 1u1t s TYR 55 N 0.48 3.60 0.41 5.22 2.02 -1.26 -0.81 117.35 127.01 1u1t s TYR 55 Ca -0.07 1.62 0.08 0.00 -0.37 0.00 0.00 57.07 58.32 1u1t s TYR 55 Cb -0.15 -3.18 0.86 0.00 -0.40 0.00 0.00 41.96 39.09 1u1t s TYR 55 CO 0.04 -0.27 2.04 0.87 -1.57 0.00 0.00 175.55 176.66 1u1t h LYS 56 N 6.84 0.55 0.00 -0.62 1.57 -1.48 0.16 116.57 123.58 1u1t h LYS 56 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1u1t h LYS 56 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1u1t h LYS 56 CO 0.77 0.36 0.00 1.12 -0.57 0.00 0.00 179.45 181.13 1u1t h HIS 57 N 0.57 0.00 -0.19 -1.35 2.07 -1.92 0.13 115.15 114.46 1u1t h HIS 57 Ca 0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 1u1t h HIS 57 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1u1t h HIS 57 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1u1t n ALA 58 N -1.97 2.45 -2.69 6.11 0.00 0.04 -4.92 120.51 119.53 1u1t n ALA 58 Ca -0.02 -0.81 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 1u1t n ALA 58 Cb 0.07 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1u1t n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1u1t s ILE 59 N -1.78 5.26 -0.24 0.00 1.01 0.03 -0.53 121.20 124.95 1u1t s ILE 59 Ca 0.33 0.58 -0.16 0.00 0.00 0.00 0.00 60.65 61.41 1u1t s ILE 59 Cb 0.21 -3.62 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1u1t s ILE 59 CO 0.31 0.49 -0.24 -1.54 0.00 0.00 0.00 174.94 173.96 1u1t n SER 60 N 2.75 1.93 -3.93 3.58 3.41 0.11 -4.65 113.62 116.82 1u1t n SER 60 Ca -0.14 0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 58.75 1u1t n SER 60 Cb 0.53 -0.84 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 1u1t n SER 60 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1u1t s THR 61 N -2.54 0.13 -0.20 6.66 -4.23 -1.01 -5.01 115.64 109.44 1u1t s THR 61 Ca -0.33 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1u1t s THR 61 Cb 0.10 -0.87 0.03 0.00 1.34 0.00 0.00 72.50 73.11 1u1t s THR 61 CO 0.48 -0.59 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.12 1u1t s VAL 62 N -2.54 1.98 -0.30 2.29 1.01 -1.26 -0.65 120.40 120.92 1u1t s VAL 62 Ca -0.06 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.83 1u1t s VAL 62 Cb -0.02 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.52 1u1t s VAL 62 CO -0.04 0.32 -0.01 -0.69 0.00 0.00 0.00 175.10 174.68 1u1t s VAL 63 N 1.28 2.58 0.77 2.92 1.01 0.47 -4.98 120.40 124.44 1u1t s VAL 63 Ca 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 61.98 60.13 1u1t s VAL 63 Cb -0.15 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.69 1u1t s VAL 63 CO -0.10 -0.23 1.14 -2.84 0.00 0.00 0.00 175.10 173.08 1u1t s PRO 64 N 1.12 2.03 0.09 2.72 0.02 -1.26 -0.88 135.00 138.84 1u1t s PRO 64 Ca -0.02 1.49 0.28 0.00 0.02 0.00 0.00 61.00 62.77 1u1t s PRO 64 Cb -0.20 -1.85 1.05 0.00 0.02 0.00 0.00 34.50 33.53 1u1t s PRO 64 CO -0.04 -1.86 1.86 -1.13 -0.33 0.00 0.00 177.00 175.50 1u1t n SER 65 N -3.21 0.35 -3.56 2.53 3.41 0.10 -4.84 113.62 108.39 1u1t n SER 65 Ca 0.11 0.53 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1u1t n SER 65 Cb 0.52 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1u1t n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1t s ARG 66 N -3.04 1.13 0.44 4.33 1.70 -1.26 -5.08 118.95 117.17 1u1t s ARG 66 Ca 0.13 -0.58 -0.25 0.00 -0.47 0.00 0.00 55.73 54.56 1u1t s ARG 66 Cb 0.16 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.96 1u1t s ARG 66 CO 0.56 -0.46 1.24 -2.30 -1.08 0.00 0.00 175.30 173.26 1u1t n PRO 67 N -0.20 1.80 -4.11 3.89 -0.02 -1.26 -5.01 135.00 130.08 1u1t n PRO 67 Ca -0.17 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1u1t n PRO 67 Cb 0.64 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1u1t n PRO 67 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1u1t s VAL 68 N -1.23 0.49 0.26 -1.45 -7.23 -1.26 -5.11 120.40 104.87 1u1t s VAL 68 Ca 0.63 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1u1t s VAL 68 Cb -0.50 -1.34 -0.13 0.00 0.56 0.00 0.00 36.38 34.97 1u1t s VAL 68 CO 0.56 -0.79 1.34 0.54 -0.31 0.00 0.00 175.10 176.44 1u1t n ARG 69 N 0.39 1.95 -4.21 4.82 1.74 -1.26 -4.96 116.66 115.13 1u1t n ARG 69 Ca -0.15 0.69 -0.35 0.00 -0.77 0.00 0.00 57.85 57.27 1u1t n ARG 69 Cb 0.59 -2.30 -0.08 0.00 -1.02 0.00 0.00 32.46 29.65 1u1t n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1u1t s LEU 70 N -0.10 3.81 0.00 0.55 1.43 -1.26 -4.98 118.68 118.13 1u1t s LEU 70 Ca 0.65 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1u1t s LEU 70 Cb -0.65 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 43.66 1u1t s LEU 70 CO 0.53 0.36 0.55 -2.65 0.23 0.00 0.00 176.35 175.37