#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1s h SER 6 N 0.00 0.00 0.00 0.41 4.64 -2.06 -2.55 113.55 113.99 1u1s h SER 6 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1u1s h SER 6 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1u1s h SER 6 CO 0.00 0.00 -2.05 -0.11 -0.87 0.00 0.00 176.83 173.80 1u1s n LEU 7 N -3.85 1.34 -0.10 5.97 7.94 -1.26 -4.52 117.00 122.52 1u1s n LEU 7 Ca 0.00 0.22 -0.05 0.00 -1.11 0.00 0.00 56.01 55.07 1u1s n LEU 7 Cb 0.25 -0.55 0.01 0.00 0.53 0.00 0.00 43.42 43.66 1u1s n LEU 7 CO 0.28 0.40 0.84 -0.61 -1.11 0.00 0.00 177.39 177.18 1u1s h GLN 8 N -0.66 0.07 -0.10 1.96 4.15 -1.99 -1.60 115.11 116.93 1u1s h GLN 8 Ca -0.48 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.94 1u1s h GLN 8 Cb 1.42 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 29.09 1u1s h GLN 8 CO -0.29 0.04 0.06 -0.44 -1.93 0.00 0.00 178.83 176.27 1u1s h ASP 9 N 0.07 0.12 -0.51 -0.69 5.19 -1.74 -0.12 116.42 118.74 1u1s h ASP 9 Ca 0.17 -0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 1u1s h ASP 9 Cb 0.25 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1u1s h ASP 9 CO -0.31 0.15 0.16 -0.65 -3.12 0.00 0.00 179.24 175.47 1u1s h PRO 10 N 0.08 0.84 0.32 3.56 0.11 -1.74 0.10 132.00 135.27 1u1s h PRO 10 Ca 0.03 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1u1s h PRO 10 Cb 0.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1u1s h PRO 10 CO -0.01 0.74 -0.15 -0.92 -0.21 0.00 0.00 178.00 177.45 1u1s h TYR 11 N 0.81 -0.40 -0.54 0.65 3.20 -1.07 -0.09 116.97 119.53 1u1s h TYR 11 Ca 0.18 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1u1s h TYR 11 Cb 0.26 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1u1s h TYR 11 CO 0.02 -0.14 0.06 -0.07 -1.64 0.00 0.00 178.16 176.39 1u1s h LEU 12 N -0.61 0.84 -0.98 2.82 3.38 -0.92 -1.85 115.31 118.00 1u1s h LEU 12 Ca -0.04 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1u1s h LEU 12 Cb 0.44 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1u1s h LEU 12 CO 0.07 0.87 -0.33 -1.13 0.09 0.00 0.00 178.44 178.01 1u1s h ASN 13 N 0.83 0.33 -0.23 -0.43 -1.24 -0.71 -0.83 115.58 113.31 1u1s h ASN 13 Ca 0.17 -0.12 -0.13 0.00 0.71 0.00 0.00 56.30 56.92 1u1s h ASN 13 Cb 0.41 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 1u1s h ASN 13 CO 0.01 0.65 -0.37 0.74 -1.29 0.00 0.00 177.43 177.17 1u1s h THR 14 N 0.28 1.32 -0.71 -3.57 2.02 -0.72 0.30 112.91 111.84 1u1s h THR 14 Ca 0.04 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.66 1u1s h THR 14 Cb 0.73 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 1u1s h THR 14 CO 0.06 0.50 0.45 -0.07 0.37 0.00 0.00 175.52 176.82 1u1s h LEU 15 N 0.37 0.75 0.66 2.58 3.38 -1.13 -0.42 115.31 121.50 1u1s h LEU 15 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1u1s h LEU 15 Cb 0.97 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1u1s h LEU 15 CO 0.09 0.53 -0.32 -0.09 0.09 0.00 0.00 178.44 178.74 1u1s h ARG 16 N 0.89 -0.85 -0.97 1.13 2.43 -1.03 -1.30 114.38 114.67 1u1s h ARG 16 Ca 0.28 0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.60 1u1s h ARG 16 Cb -0.02 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.65 1u1s h ARG 16 CO -0.09 -0.53 0.62 0.87 -1.51 0.00 0.00 179.97 179.33 1u1s h LYS 17 N -1.11 0.99 -0.32 0.20 1.57 -0.85 -2.05 116.57 114.99 1u1s h LYS 17 Ca -0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1u1s h LYS 17 Cb 0.72 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1u1s h LYS 17 CO 0.15 0.65 0.00 0.39 -0.57 0.00 0.00 179.45 180.07 1u1s n GLU 18 N -4.55 1.97 -4.00 3.15 1.02 -0.17 -4.94 120.64 113.10 1u1s n GLU 18 Ca 0.17 -1.48 -0.31 0.00 -0.02 0.00 0.00 57.16 55.52 1u1s n GLU 18 Cb 0.29 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.69 -4.37 -2.46 3.49 1.74 -0.72 -4.90 116.66 110.12 1u1s n ARG 19 Ca 0.16 0.50 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 1u1s n ARG 19 Cb 0.38 -5.19 -0.03 0.00 -1.02 0.00 0.00 32.46 26.61 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 -3.43 4.28 0.32 1.55 1.01 -0.57 -4.99 120.40 118.56 1u1s s VAL 20 Ca 0.53 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.81 1u1s s VAL 20 Cb -0.27 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 1u1s s VAL 20 CO 0.87 -0.02 1.36 -2.84 0.00 0.00 0.00 175.10 174.46 1u1s s PRO 21 N 2.42 4.30 0.14 2.72 0.02 -1.26 -4.49 135.00 138.85 1u1s s PRO 21 Ca 0.55 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.88 1u1s s PRO 21 Cb -0.24 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 1u1s s PRO 21 CO 0.20 -0.28 -0.06 0.14 -0.33 0.00 0.00 177.00 176.67 1u1s s VAL 22 N -0.87 0.86 -0.17 3.83 -7.23 0.38 -0.38 120.40 116.83 1u1s s VAL 22 Ca 0.52 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1u1s s VAL 22 Cb -0.41 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1u1s s VAL 22 CO 0.52 -0.71 -0.16 -0.44 -0.31 0.00 0.00 175.10 174.00 1u1s s SER 23 N -3.13 3.57 -0.29 4.85 0.01 -0.15 -2.19 113.70 116.38 1u1s s SER 23 Ca 0.17 -0.51 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 1u1s s SER 23 Cb 0.05 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.74 1u1s s SER 23 CO -0.00 0.05 0.04 -0.63 0.41 0.00 0.00 173.24 173.12 1u1s s ILE 24 N 0.99 3.64 -0.16 1.44 1.01 0.11 -0.27 121.20 127.95 1u1s s ILE 24 Ca -0.02 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 1u1s s ILE 24 Cb -0.15 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1u1s s ILE 24 CO -0.03 0.08 0.34 -0.31 0.00 0.00 0.00 174.94 175.02 1u1s s TYR 25 N 1.44 3.45 0.45 3.97 1.51 -0.02 -0.23 117.35 127.92 1u1s s TYR 25 Ca 0.01 0.63 -0.04 0.00 -1.01 0.00 0.00 57.07 56.66 1u1s s TYR 25 Cb -0.17 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 1u1s s TYR 25 CO 0.01 0.18 0.74 -0.51 -1.11 0.00 0.00 175.55 174.85 1u1s s LEU 26 N 0.65 3.71 0.55 -1.29 1.43 0.24 -0.51 118.68 123.46 1u1s s LEU 26 Ca 0.18 0.85 0.23 0.00 -1.03 0.00 0.00 54.13 54.36 1u1s s LEU 26 Cb -0.14 -3.78 1.54 0.00 0.03 0.00 0.00 46.19 43.85 1u1s s LEU 26 CO 0.05 -0.51 2.19 -0.37 0.23 0.00 0.00 176.35 177.94 1u1s h VAL 27 N 0.37 0.75 -0.00 -1.59 -1.51 -1.44 -0.01 116.25 112.82 1u1s h VAL 27 Ca -0.47 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1u1s h VAL 27 Cb 1.21 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1u1s h VAL 27 CO 0.62 0.02 -0.03 -0.46 -1.23 0.00 0.00 177.57 176.49 1u1s n ASN 28 N -4.14 0.08 0.00 4.19 0.23 -1.26 -4.90 115.26 109.46 1u1s n ASN 28 Ca -0.03 -0.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 1u1s n ASN 28 Cb 0.10 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 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 1.30 0.28 3.76 4.83 0.00 -0.02 -5.07 105.19 110.27 1u1s n GLY 29 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.21 -0.22 -0.61 1.09 -1.26 -4.75 121.20 116.67 1u1s s ILE 30 Ca 0.00 1.16 -0.07 0.00 -1.10 0.00 0.00 60.65 60.63 1u1s s ILE 30 Cb 0.00 -3.74 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 1u1s s ILE 30 CO 0.00 0.25 0.07 -0.75 -0.10 0.00 0.00 174.94 174.41 1u1s s LYS 31 N -1.19 3.82 0.03 2.79 2.20 -1.26 -0.60 119.74 125.53 1u1s s LYS 31 Ca 0.49 -0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 1u1s s LYS 31 Cb -0.35 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1u1s s LYS 31 CO 0.44 0.04 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.94 1u1s s LEU 32 N 1.01 3.43 0.03 5.43 1.43 0.68 -4.95 118.68 125.74 1u1s s LEU 32 Ca 0.04 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1u1s s LEU 32 Cb -0.14 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1u1s s LEU 32 CO 0.03 0.25 -0.08 -1.10 0.23 0.00 0.00 176.35 175.68 1u1s s GLN 33 N -1.76 0.56 0.00 1.70 -0.21 -1.26 0.08 119.66 118.78 1u1s s GLN 33 Ca 0.21 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1u1s s GLN 33 Cb -0.11 -0.42 0.00 0.00 1.00 0.00 0.00 33.01 33.47 1u1s s GLN 33 CO 0.12 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 1u1s n GLY 34 N 1.85 -0.10 3.34 3.09 0.00 -0.93 -4.84 105.19 107.61 1u1s n GLY 34 Ca -0.20 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 1.57 -0.30 1.61 -0.21 -0.94 -0.47 119.66 118.92 1u1s s GLN 35 Ca 0.00 -1.17 -0.29 0.00 0.02 0.00 0.00 55.36 53.91 1u1s s GLN 35 Cb 0.00 -1.85 0.01 0.00 1.00 0.00 0.00 33.01 32.17 1u1s s GLN 35 CO 0.00 0.46 1.19 0.42 -2.12 0.00 0.00 175.29 175.24 1u1s s ILE 36 N -0.92 4.32 -0.02 1.08 -1.09 -1.26 -1.68 121.20 121.64 1u1s s ILE 36 Ca 0.12 1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 60.00 1u1s s ILE 36 Cb -0.10 -4.27 -0.29 0.00 -1.58 0.00 0.00 42.46 36.22 1u1s s ILE 36 CO 0.03 -0.46 0.77 -0.08 -1.23 0.00 0.00 174.94 173.98 1u1s h GLU 37 N 8.64 0.30 -2.06 2.79 4.81 -1.32 -3.39 114.58 124.35 1u1s h GLU 37 Ca -0.23 -0.51 0.23 0.00 -0.13 0.00 0.00 59.36 58.71 1u1s h GLU 37 Cb 1.08 0.19 -0.09 0.00 0.63 0.00 0.00 28.75 30.56 1u1s h GLU 37 CO 1.03 1.18 0.60 -1.54 -0.73 0.00 0.00 179.01 179.54 1u1s s SER 38 N -7.08 -0.13 0.10 1.04 1.04 -1.23 -5.02 113.70 102.43 1u1s s SER 38 Ca -0.12 -0.33 -0.25 0.00 0.48 0.00 0.00 55.95 55.73 1u1s s SER 38 Cb 0.06 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1u1s s SER 38 CO 0.85 -0.71 0.76 0.72 0.98 0.00 0.00 173.24 175.84 1u1s s PHE 39 N -2.99 -0.39 0.00 5.02 -0.71 -1.26 -0.48 117.98 117.16 1u1s s PHE 39 Ca 0.13 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 1u1s s PHE 39 Cb 0.01 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1u1s s PHE 39 CO 0.00 -0.76 0.00 -0.40 -1.34 0.00 0.00 175.22 172.73 1u1s n ASP 40 N -0.34 0.16 0.16 1.98 5.68 -0.48 -5.01 116.55 118.69 1u1s n ASP 40 Ca -0.12 -0.14 0.07 0.00 -0.50 0.00 0.00 54.79 54.10 1u1s n ASP 40 Cb 0.63 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.19 0.00 0.11 4.15 -2.04 -3.33 115.11 114.19 1u1s h GLN 41 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1u1s h GLN 41 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1u1s h GLN 41 CO 0.00 0.13 -0.61 1.19 -1.93 0.00 0.00 178.83 177.60 1u1s n PHE 42 N -4.51 0.00 -4.22 3.99 3.72 -1.26 -4.98 117.46 110.19 1u1s n PHE 42 Ca -0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1u1s n PHE 42 Cb 0.10 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.63 0.65 -0.04 -4.37 -7.23 -1.25 -1.04 120.40 105.50 1u1s s VAL 43 Ca -0.00 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1u1s s VAL 43 Cb 0.00 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.91 1u1s s VAL 43 CO 0.02 -0.54 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.53 1u1s s ILE 44 N -3.67 0.88 -0.31 -0.62 1.01 0.15 -1.39 121.20 117.25 1u1s s ILE 44 Ca 0.22 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1u1s s ILE 44 Cb 0.06 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1u1s s ILE 44 CO 0.02 0.28 0.26 -0.22 0.00 0.00 0.00 174.94 175.28 1u1s s LEU 45 N 0.35 4.25 -0.09 2.97 2.96 0.37 0.01 118.68 129.51 1u1s s LEU 45 Ca -0.06 -0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1u1s s LEU 45 Cb -0.11 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1u1s s LEU 45 CO 0.01 -0.18 0.05 -0.22 -1.32 0.00 0.00 176.35 174.70 1u1s s LEU 46 N 1.83 3.87 -0.01 -0.68 2.96 0.52 -0.79 118.68 126.39 1u1s s LEU 46 Ca 0.09 0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1u1s s LEU 46 Cb -0.16 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1u1s s LEU 46 CO 0.11 0.37 0.05 -1.59 -1.32 0.00 0.00 176.35 173.97 1u1s s LYS 47 N -1.04 0.23 0.00 1.98 -2.85 -0.68 -0.06 119.74 117.32 1u1s s LYS 47 Ca 0.15 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.90 1u1s s LYS 47 Cb -0.12 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 1u1s s LYS 47 CO 0.04 -0.04 0.00 -1.71 0.10 0.00 0.00 175.35 173.74 1u1s n ASN 48 N 2.29 0.00 0.12 0.03 2.85 -1.26 -2.22 115.26 117.07 1u1s n ASN 48 Ca -0.18 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.27 1u1s n ASN 48 Cb 0.57 0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.72 1u1s n ASN 48 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1u1s h THR 49 N 0.00 1.47 -2.76 -0.44 1.35 -1.98 -3.41 112.91 107.14 1u1s h THR 49 Ca 0.00 -2.25 -0.32 0.00 -0.55 0.00 0.00 66.41 63.29 1u1s h THR 49 Cb 0.00 2.21 -0.36 0.00 -1.73 0.00 0.00 68.15 68.27 1u1s h THR 49 CO 0.00 0.65 -0.64 0.54 -0.25 0.00 0.00 175.52 175.82 1u1s s VAL 50 N -3.52 -0.29 0.13 6.82 0.11 -1.26 -5.14 120.40 117.25 1u1s s VAL 50 Ca -0.01 0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.82 1u1s s VAL 50 Cb 0.12 -0.55 -0.07 0.00 -1.53 0.00 0.00 36.38 34.35 1u1s s VAL 50 CO 0.77 -0.10 0.76 -0.55 -3.33 0.00 0.00 175.10 172.65 1u1s s SER 51 N 2.30 7.33 -0.02 3.54 0.15 -1.26 -4.39 113.70 121.35 1u1s s SER 51 Ca 0.05 1.57 -0.29 0.00 0.70 0.00 0.00 55.95 57.99 1u1s s SER 51 Cb -0.15 -2.48 0.10 0.00 -1.71 0.00 0.00 66.02 61.78 1u1s s SER 51 CO -0.10 0.17 0.86 0.00 1.20 0.00 0.00 173.24 175.38 1u1s s GLN 52 N -0.90 0.84 -0.24 5.44 -2.07 0.92 -4.98 119.66 118.67 1u1s s GLN 52 Ca 0.36 -0.21 -0.10 0.00 -1.82 0.00 0.00 55.36 53.59 1u1s s GLN 52 Cb -0.22 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1u1s s GLN 52 CO 0.25 -0.35 0.14 1.41 -1.32 0.00 0.00 175.29 175.42 1u1s s MET 53 N -2.75 3.95 -0.15 9.60 -2.45 -1.26 -0.35 119.30 125.88 1u1s s MET 53 Ca 0.03 -0.33 -0.04 0.00 -1.25 0.00 0.00 55.69 54.10 1u1s s MET 53 Cb -0.01 -3.48 -0.03 0.00 1.25 0.00 0.00 34.83 32.57 1u1s s MET 53 CO -0.07 -0.01 -0.04 0.08 1.05 0.00 0.00 175.02 176.03 1u1s s VAL 54 N 1.22 3.88 -0.08 10.11 1.01 0.10 -4.95 120.40 131.70 1u1s s VAL 54 Ca 0.06 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 1u1s s VAL 54 Cb -0.14 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1u1s s VAL 54 CO 0.05 0.50 0.93 -0.31 0.00 0.00 0.00 175.10 176.27 1u1s s TYR 55 N 0.33 3.56 0.37 5.22 2.02 -1.26 -0.68 117.35 126.91 1u1s s TYR 55 Ca -0.04 1.54 0.09 0.00 -0.37 0.00 0.00 57.07 58.28 1u1s s TYR 55 Cb -0.14 -3.09 0.83 0.00 -0.40 0.00 0.00 41.96 39.16 1u1s s TYR 55 CO 0.03 -0.12 1.91 0.87 -1.57 0.00 0.00 175.55 176.68 1u1s h LYS 56 N 6.99 0.65 0.00 -0.62 1.57 -1.43 -1.18 116.57 122.54 1u1s h LYS 56 Ca -0.35 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1u1s h LYS 56 Cb 1.17 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1u1s h LYS 56 CO 0.80 0.43 0.01 1.12 -0.57 0.00 0.00 179.45 181.25 1u1s h HIS 57 N 0.67 0.00 -0.02 -1.35 2.07 -1.92 0.68 115.15 115.27 1u1s h HIS 57 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 1u1s h HIS 57 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1u1s h HIS 57 CO -0.00 0.00 -0.16 0.00 -3.07 0.00 0.00 177.93 174.70 1u1s n ALA 58 N -1.93 2.85 -2.62 6.11 0.00 -0.45 -4.93 120.51 119.54 1u1s n ALA 58 Ca -0.02 -0.62 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 1u1s n ALA 58 Cb 0.06 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.18 5.17 -0.24 0.00 1.01 0.23 -1.20 121.20 124.00 1u1s s ILE 59 Ca 0.26 0.68 -0.16 0.00 0.00 0.00 0.00 60.65 61.44 1u1s s ILE 59 Cb 0.20 -3.65 -0.10 0.00 0.01 0.00 0.00 42.46 38.92 1u1s s ILE 59 CO 0.40 0.54 -0.33 -1.54 0.00 0.00 0.00 174.94 174.02 1u1s n SER 60 N 2.24 1.94 -3.98 3.58 3.41 0.33 -4.73 113.62 116.41 1u1s n SER 60 Ca -0.14 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1u1s n SER 60 Cb 0.53 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 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 -2.65 0.14 -0.21 6.66 -4.23 -1.08 -5.02 115.64 109.25 1u1s s THR 61 Ca -0.34 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1u1s s THR 61 Cb 0.10 -0.66 0.03 0.00 1.34 0.00 0.00 72.50 73.31 1u1s s THR 61 CO 0.46 -0.62 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.08 1u1s s VAL 62 N -2.20 2.18 -0.34 2.29 1.01 -1.26 -0.84 120.40 121.24 1u1s s VAL 62 Ca -0.09 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 1u1s s VAL 62 Cb -0.04 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.37 1u1s s VAL 62 CO -0.03 0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.80 1u1s s VAL 63 N 1.24 3.03 0.54 2.92 1.01 0.62 -4.97 120.40 124.80 1u1s s VAL 63 Ca 0.01 -1.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.05 1u1s s VAL 63 Cb -0.15 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1u1s s VAL 63 CO -0.10 -0.38 1.21 -2.84 0.00 0.00 0.00 175.10 173.00 1u1s s PRO 64 N 1.18 3.25 0.55 2.72 0.02 -1.26 -0.98 135.00 140.48 1u1s s PRO 64 Ca 0.01 1.85 0.32 0.00 0.02 0.00 0.00 61.00 63.20 1u1s s PRO 64 Cb -0.21 -2.11 1.57 0.00 0.02 0.00 0.00 34.50 33.77 1u1s s PRO 64 CO -0.03 -0.99 2.09 0.66 -0.33 0.00 0.00 177.00 178.40 1u1s h SER 65 N 1.32 0.00 -4.63 2.53 4.64 -1.05 -3.43 113.55 112.93 1u1s h SER 65 Ca -0.50 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.67 1u1s h SER 65 Cb 1.28 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.15 1u1s h SER 65 CO 0.57 0.08 -0.46 0.00 -0.87 0.00 0.00 176.83 176.14 1u1s s ARG 66 N -4.00 0.43 0.58 4.77 1.70 -1.26 -5.07 118.95 116.10 1u1s s ARG 66 Ca -0.02 -0.17 -0.20 0.00 -0.47 0.00 0.00 55.73 54.87 1u1s s ARG 66 Cb 0.12 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1u1s s ARG 66 CO 0.54 -0.10 1.07 -0.35 -1.08 0.00 0.00 175.30 175.39 1u1s n PRO 67 N 1.88 1.10 -3.68 3.89 -0.04 -1.26 -4.99 135.00 131.90 1u1s n PRO 67 Ca -0.20 0.42 -0.37 0.00 -0.04 0.00 0.00 63.50 63.31 1u1s n PRO 67 Cb 0.56 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 1u1s n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1u1s s VAL 68 N -1.44 5.30 -0.24 0.52 1.01 -1.26 -5.08 120.40 119.22 1u1s s VAL 68 Ca 0.75 0.48 -0.06 0.00 0.00 0.00 0.00 61.98 63.15 1u1s s VAL 68 Cb -0.43 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1u1s s VAL 68 CO 0.48 0.56 0.01 -0.60 0.00 0.00 0.00 175.10 175.55 1u1s s ARG 69 N -0.72 3.49 0.00 2.72 3.52 -1.26 -5.18 118.95 121.53 1u1s s ARG 69 Ca 0.18 -0.57 0.27 0.00 -0.13 0.00 0.00 55.73 55.48 1u1s s ARG 69 Cb -0.14 -3.17 0.90 0.00 -1.56 0.00 0.00 34.95 30.98 1u1s s ARG 69 CO 0.07 -0.21 1.66 1.28 -0.81 0.00 0.00 175.30 177.29