#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 -2.70 113.55 113.84 1u1s h SER 6 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1u1s h SER 6 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1u1s h SER 6 CO 0.00 0.00 -1.44 -0.11 -0.87 0.00 0.00 176.83 174.41 1u1s n LEU 7 N -2.45 1.20 -0.00 5.97 7.94 -1.26 -4.58 117.00 123.82 1u1s n LEU 7 Ca -0.01 0.06 -0.09 0.00 -1.11 0.00 0.00 56.01 54.85 1u1s n LEU 7 Cb 0.08 -0.24 -0.04 0.00 0.53 0.00 0.00 43.42 43.75 1u1s n LEU 7 CO 0.14 0.29 0.80 -0.61 -1.11 0.00 0.00 177.39 176.90 1u1s h GLN 8 N -0.21 -0.09 -0.10 1.96 4.15 -1.99 -1.52 115.11 117.31 1u1s h GLN 8 Ca -0.19 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.23 1u1s h GLN 8 Cb 1.20 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 1u1s h GLN 8 CO -0.10 -0.06 0.06 -0.44 -1.93 0.00 0.00 178.83 176.36 1u1s h ASP 9 N -0.09 0.12 -0.55 -0.69 3.32 -1.79 -0.43 116.42 116.31 1u1s h ASP 9 Ca 0.08 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1u1s h ASP 9 Cb 0.21 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1u1s h ASP 9 CO -0.18 0.16 0.24 -0.65 -1.72 0.00 0.00 179.24 177.09 1u1s h PRO 10 N 0.08 0.85 0.54 3.56 0.11 -1.74 0.45 132.00 135.85 1u1s h PRO 10 Ca 0.04 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1u1s h PRO 10 Cb 0.06 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.02 1u1s h PRO 10 CO -0.01 0.69 -0.26 -0.92 -0.21 0.00 0.00 178.00 177.30 1u1s h TYR 11 N 0.84 -0.67 -0.94 0.65 3.20 -1.06 -0.87 116.97 118.12 1u1s h TYR 11 Ca 0.20 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1u1s h TYR 11 Cb 0.15 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1u1s h TYR 11 CO 0.01 -0.35 0.60 -0.07 -1.64 0.00 0.00 178.16 176.71 1u1s h LEU 12 N -0.95 1.09 -1.14 2.82 3.38 -0.98 -1.82 115.31 117.72 1u1s h LEU 12 Ca -0.07 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1u1s h LEU 12 Cb 0.63 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1u1s h LEU 12 CO 0.12 0.81 -0.01 0.78 0.09 0.00 0.00 178.44 180.23 1u1s h ASN 13 N 1.28 0.55 -0.17 -0.43 2.35 -0.86 0.10 115.58 118.39 1u1s h ASN 13 Ca 0.34 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 1u1s h ASN 13 Cb -0.11 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1u1s h ASN 13 CO -0.07 0.63 -0.03 0.74 -1.65 0.00 0.00 177.43 177.05 1u1s h THR 14 N 0.56 1.28 -0.84 2.81 2.02 -0.43 -0.37 112.91 117.94 1u1s h THR 14 Ca 0.12 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1u1s h THR 14 Cb 0.37 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1u1s h THR 14 CO 0.01 0.29 0.47 -0.07 0.37 0.00 0.00 175.52 176.59 1u1s h LEU 15 N 0.04 1.04 0.33 2.58 3.38 -1.10 -0.76 115.31 120.83 1u1s h LEU 15 Ca 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1u1s h LEU 15 Cb 0.46 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1u1s h LEU 15 CO 0.02 0.83 -0.16 -0.09 0.09 0.00 0.00 178.44 179.13 1u1s h ARG 16 N 1.17 -0.42 -0.71 1.13 2.43 -0.82 -1.86 114.38 115.30 1u1s h ARG 16 Ca 0.30 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1u1s h ARG 16 Cb 0.02 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1u1s h ARG 16 CO -0.05 -0.13 0.35 0.87 -1.51 0.00 0.00 179.97 179.50 1u1s h LYS 17 N -0.71 1.02 -0.00 0.20 1.57 -0.96 -2.27 116.57 115.41 1u1s h LYS 17 Ca -0.04 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1u1s h LYS 17 Cb 0.49 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u1s h LYS 17 CO 0.07 0.80 -0.00 0.39 -0.57 0.00 0.00 179.45 180.14 1u1s n GLU 18 N -4.44 1.17 -3.61 3.15 -0.58 -0.30 -4.91 120.64 111.12 1u1s n GLU 18 Ca 0.06 -0.28 -0.27 0.00 -0.42 0.00 0.00 57.16 56.25 1u1s n GLU 18 Cb 0.12 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1u1s n GLU 18 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u1s n ARG 19 N -0.67 -3.99 -2.22 3.49 1.74 -0.77 -4.90 116.66 109.34 1u1s n ARG 19 Ca 0.22 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 1u1s n ARG 19 Cb 0.19 -5.29 -0.03 0.00 -1.02 0.00 0.00 32.46 26.31 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 -3.09 3.74 0.38 1.55 1.01 -0.81 -4.97 120.40 118.21 1u1s s VAL 20 Ca 0.52 1.09 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 1u1s s VAL 20 Cb -0.27 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1u1s s VAL 20 CO 0.63 -0.02 1.39 -2.84 0.00 0.00 0.00 175.10 174.26 1u1s s PRO 21 N 2.67 4.07 0.18 2.72 0.02 -1.26 -4.60 135.00 138.80 1u1s s PRO 21 Ca 0.64 2.36 0.02 0.00 0.02 0.00 0.00 61.00 64.05 1u1s s PRO 21 Cb -0.31 -2.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 1u1s s PRO 21 CO 0.26 -0.48 -0.01 0.14 -0.33 0.00 0.00 177.00 176.57 1u1s s VAL 22 N -1.17 0.79 -0.15 3.83 -7.23 0.35 -1.39 120.40 115.43 1u1s s VAL 22 Ca 0.54 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1u1s s VAL 22 Cb -0.42 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1u1s s VAL 22 CO 0.56 -0.48 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.25 1u1s s SER 23 N -3.20 3.39 -0.28 4.85 0.01 0.09 -2.09 113.70 116.47 1u1s s SER 23 Ca 0.24 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 1u1s s SER 23 Cb 0.06 -1.50 0.01 0.00 0.21 0.00 0.00 66.02 64.79 1u1s s SER 23 CO 0.04 0.08 0.05 -0.63 0.41 0.00 0.00 173.24 173.19 1u1s s ILE 24 N 0.81 3.72 -0.10 1.44 1.09 0.15 -0.77 121.20 127.53 1u1s s ILE 24 Ca -0.06 -0.75 -0.17 0.00 -1.10 0.00 0.00 60.65 58.57 1u1s s ILE 24 Cb -0.15 -2.90 -0.05 0.00 -1.06 0.00 0.00 42.46 38.30 1u1s s ILE 24 CO -0.01 0.12 0.43 -0.31 -0.10 0.00 0.00 174.94 175.08 1u1s s TYR 25 N 1.46 3.54 0.42 3.97 1.51 -0.55 -0.34 117.35 127.36 1u1s s TYR 25 Ca 0.02 0.86 -0.02 0.00 -1.01 0.00 0.00 57.07 56.92 1u1s s TYR 25 Cb -0.17 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 1u1s s TYR 25 CO 0.01 0.26 0.67 -0.51 -1.11 0.00 0.00 175.55 174.87 1u1s s LEU 26 N 0.31 3.81 0.64 -1.29 1.43 0.34 -0.68 118.68 123.24 1u1s s LEU 26 Ca 0.24 0.67 0.40 0.00 -1.03 0.00 0.00 54.13 54.40 1u1s s LEU 26 Cb -0.15 -3.57 2.22 0.00 0.03 0.00 0.00 46.19 44.72 1u1s s LEU 26 CO 0.10 -0.46 2.32 -0.37 0.23 0.00 0.00 176.35 178.17 1u1s h VAL 27 N 0.48 0.17 -0.01 -1.59 -1.51 -1.08 -0.57 116.25 112.13 1u1s h VAL 27 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1u1s h VAL 27 Cb 1.21 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1u1s h VAL 27 CO 0.61 0.00 -0.06 -0.46 -1.23 0.00 0.00 177.57 176.43 1u1s n ASN 28 N -3.32 1.03 0.00 4.19 0.23 -1.26 -4.93 115.26 111.19 1u1s n ASN 28 Ca -0.03 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.84 1u1s n ASN 28 Cb 0.09 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 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 1.19 2.79 3.76 4.83 0.00 -0.22 -5.07 105.19 112.47 1u1s n GLY 29 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.65 2.97 -0.22 -0.61 1.09 -1.26 -4.74 121.20 115.77 1u1s s ILE 30 Ca 0.00 0.94 -0.05 0.00 -1.10 0.00 0.00 60.65 60.44 1u1s s ILE 30 Cb 0.00 -3.60 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 1u1s s ILE 30 CO 0.00 0.21 0.01 -0.75 -0.10 0.00 0.00 174.94 174.31 1u1s s LYS 31 N -1.45 3.58 0.03 2.79 2.20 -1.26 -0.51 119.74 125.12 1u1s s LYS 31 Ca 0.49 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1u1s s LYS 31 Cb -0.37 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1u1s s LYS 31 CO 0.48 -0.09 0.04 -0.51 -0.36 0.00 0.00 175.35 174.91 1u1s s LEU 32 N 1.27 3.68 0.04 5.43 1.43 0.54 -4.94 118.68 126.13 1u1s s LEU 32 Ca 0.04 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1u1s s LEU 32 Cb -0.15 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 1u1s s LEU 32 CO 0.01 0.24 -0.10 -1.10 0.23 0.00 0.00 176.35 175.63 1u1s s GLN 33 N -1.87 0.67 0.00 1.70 -0.21 -1.26 0.32 119.66 119.00 1u1s s GLN 33 Ca 0.23 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1u1s s GLN 33 Cb -0.12 -0.57 0.00 0.00 1.00 0.00 0.00 33.01 33.32 1u1s s GLN 33 CO 0.15 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.86 1u1s n GLY 34 N 1.77 -0.19 3.41 3.09 0.00 -0.89 -4.69 105.19 107.69 1u1s n GLY 34 Ca -0.20 -1.31 -0.31 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 2.02 -0.35 1.61 -0.21 -0.60 -0.49 119.66 119.64 1u1s s GLN 35 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.09 1u1s s GLN 35 Cb 0.00 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 31.90 1u1s s GLN 35 CO 0.00 0.54 1.18 0.42 -2.12 0.00 0.00 175.29 175.31 1u1s s ILE 36 N -0.85 4.29 -0.02 1.08 1.01 -1.26 -0.19 121.20 125.25 1u1s s ILE 36 Ca 0.13 1.43 -0.15 0.00 0.00 0.00 0.00 60.65 62.06 1u1s s ILE 36 Cb -0.10 -4.36 -0.33 0.00 0.01 0.00 0.00 42.46 37.68 1u1s s ILE 36 CO 0.03 -0.61 0.82 -0.08 0.00 0.00 0.00 174.94 175.11 1u1s h GLU 37 N 8.88 0.44 -2.08 2.79 4.22 -1.20 -3.40 114.58 124.22 1u1s h GLU 37 Ca -0.23 -0.75 0.24 0.00 0.08 0.00 0.00 59.36 58.70 1u1s h GLU 37 Cb 1.08 0.28 -0.08 0.00 0.50 0.00 0.00 28.75 30.52 1u1s h GLU 37 CO 1.06 1.36 0.67 -1.54 -2.18 0.00 0.00 179.01 178.37 1u1s s SER 38 N -7.37 -0.07 0.06 1.04 1.04 -1.23 -5.01 113.70 102.16 1u1s s SER 38 Ca -0.13 -0.37 -0.26 0.00 0.48 0.00 0.00 55.95 55.67 1u1s s SER 38 Cb 0.04 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.59 1u1s s SER 38 CO 0.88 -0.66 0.74 0.72 0.98 0.00 0.00 173.24 175.90 1u1s s PHE 39 N -2.57 -0.47 0.00 5.02 -0.71 -1.26 -0.78 117.98 117.21 1u1s s PHE 39 Ca 0.17 0.38 0.00 0.00 -1.04 0.00 0.00 56.93 56.44 1u1s s PHE 39 Cb 0.00 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.35 1u1s s PHE 39 CO 0.01 -0.69 0.00 -0.40 -1.34 0.00 0.00 175.22 172.80 1u1s n ASP 40 N -0.15 0.36 -0.36 1.98 5.68 -0.62 -5.01 116.55 118.43 1u1s n ASP 40 Ca -0.14 -0.40 0.07 0.00 -0.50 0.00 0.00 54.79 53.83 1u1s n ASP 40 Cb 0.63 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.85 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 0.98 0.00 0.11 4.15 -2.04 -3.32 115.11 114.99 1u1s h GLN 41 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1u1s h GLN 41 Cb 0.00 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.47 1u1s h GLN 41 CO 0.00 0.65 -1.13 1.19 -1.93 0.00 0.00 178.83 177.60 1u1s n PHE 42 N -4.61 0.00 -4.28 3.99 3.72 -1.26 -4.96 117.46 110.06 1u1s n PHE 42 Ca 0.19 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.44 1u1s n PHE 42 Cb 0.34 -0.15 -0.10 0.00 -0.94 0.00 0.00 39.48 38.64 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 -2.39 0.71 -0.04 -4.37 -7.23 -1.25 -1.04 120.40 104.80 1u1s s VAL 43 Ca -0.02 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1u1s s VAL 43 Cb 0.06 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.71 1u1s s VAL 43 CO 0.36 -0.32 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.12 1u1s s ILE 44 N -3.64 0.70 -0.32 -0.62 1.01 0.02 -1.60 121.20 116.76 1u1s s ILE 44 Ca 0.28 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 1u1s s ILE 44 Cb 0.06 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 1u1s s ILE 44 CO 0.07 0.24 0.30 -0.76 0.00 0.00 0.00 174.94 174.80 1u1s s LEU 45 N 0.55 4.32 -0.17 2.97 1.43 0.04 0.06 118.68 127.88 1u1s s LEU 45 Ca -0.08 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1u1s s LEU 45 Cb -0.12 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1u1s s LEU 45 CO 0.01 -0.24 0.02 -0.22 0.23 0.00 0.00 176.35 176.15 1u1s s LEU 46 N 1.91 3.59 -0.15 1.79 2.96 -0.16 -0.58 118.68 128.04 1u1s s LEU 46 Ca 0.10 -0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1u1s s LEU 46 Cb -0.17 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1u1s s LEU 46 CO 0.11 0.17 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.52 1u1s s LYS 47 N 0.37 3.61 0.00 1.98 2.47 0.73 -0.95 119.74 127.95 1u1s s LYS 47 Ca 0.00 -0.53 0.00 0.00 -1.56 0.00 0.00 55.97 53.88 1u1s s LYS 47 Cb -0.13 -2.88 0.00 0.00 -1.46 0.00 0.00 37.83 33.36 1u1s s LYS 47 CO 0.01 0.26 0.00 -1.71 0.16 0.00 0.00 175.35 174.07 1u1s n ASN 48 N 3.46 0.00 -0.10 1.43 4.05 -1.26 -1.55 115.26 121.28 1u1s n ASN 48 Ca -0.17 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.67 1u1s n ASN 48 Cb 0.53 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.45 1u1s n ASN 48 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1u1s n THR 49 N -0.46 1.50 -4.27 -0.44 -1.04 -1.26 -4.96 114.28 103.35 1u1s n THR 49 Ca 0.00 -0.03 -0.21 0.00 -2.04 0.00 0.00 64.05 61.77 1u1s n THR 49 Cb 0.00 -2.11 -0.13 0.00 -1.82 0.00 0.00 70.33 66.27 1u1s n THR 49 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1u1s s VAL 50 N -2.42 1.34 0.34 12.58 1.01 -1.26 -5.13 120.40 126.87 1u1s s VAL 50 Ca -0.28 -1.31 -0.26 0.00 0.00 0.00 0.00 61.98 60.13 1u1s s VAL 50 Cb 0.07 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 1u1s s VAL 50 CO 0.47 -0.10 1.00 -0.44 0.00 0.00 0.00 175.10 176.03 1u1s s SER 51 N -1.64 7.13 0.04 3.32 0.01 -1.26 -4.75 113.70 116.56 1u1s s SER 51 Ca 0.02 1.96 0.05 0.00 1.31 0.00 0.00 55.95 59.29 1u1s s SER 51 Cb -0.10 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 1u1s s SER 51 CO 0.03 -0.22 -0.15 0.00 0.41 0.00 0.00 173.24 173.30 1u1s s GLN 52 N -2.12 1.03 -0.24 12.44 -2.07 -0.12 -4.95 119.66 123.63 1u1s s GLN 52 Ca 0.52 -0.79 -0.17 0.00 -1.82 0.00 0.00 55.36 53.10 1u1s s GLN 52 Cb -0.21 -1.06 -0.03 0.00 -1.09 0.00 0.00 33.01 30.61 1u1s s GLN 52 CO 0.27 0.27 0.47 1.41 -1.32 0.00 0.00 175.29 176.39 1u1s s MET 53 N -1.13 4.10 -0.18 9.60 -2.45 -1.26 -0.99 119.30 126.99 1u1s s MET 53 Ca 0.03 0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.70 1u1s s MET 53 Cb -0.08 -3.61 -0.02 0.00 1.25 0.00 0.00 34.83 32.36 1u1s s MET 53 CO 0.01 -0.24 -0.03 0.08 1.05 0.00 0.00 175.02 175.90 1u1s s VAL 54 N 1.94 3.83 -0.06 10.11 1.01 0.11 -4.95 120.40 132.39 1u1s s VAL 54 Ca 0.20 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1u1s s VAL 54 Cb -0.15 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1u1s s VAL 54 CO 0.09 0.46 1.05 -0.31 0.00 0.00 0.00 175.10 176.40 1u1s s TYR 55 N 0.70 3.48 0.46 5.22 2.02 -1.26 -0.80 117.35 127.17 1u1s s TYR 55 Ca -0.01 1.52 0.15 0.00 -0.37 0.00 0.00 57.07 58.36 1u1s s TYR 55 Cb -0.14 -3.23 1.10 0.00 -0.40 0.00 0.00 41.96 39.28 1u1s s TYR 55 CO 0.02 -0.46 2.02 0.87 -1.57 0.00 0.00 175.55 176.43 1u1s h LYS 56 N 7.07 0.30 0.00 -0.62 1.57 -1.43 -0.85 116.57 122.60 1u1s h LYS 56 Ca -0.35 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1u1s h LYS 56 Cb 1.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1u1s h LYS 56 CO 0.83 0.20 0.00 1.12 -0.57 0.00 0.00 179.45 181.03 1u1s h HIS 57 N 0.30 0.00 -0.02 -1.35 2.07 -1.92 -0.42 115.15 113.82 1u1s h HIS 57 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 1u1s h HIS 57 Cb 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 1u1s h HIS 57 CO -0.00 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 174.58 1u1s n ALA 58 N -1.99 3.13 -2.61 6.11 0.00 -0.33 -4.93 120.51 119.89 1u1s n ALA 58 Ca -0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 1u1s n ALA 58 Cb 0.09 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.33 5.15 -0.25 0.00 1.09 -0.17 -0.52 121.20 124.17 1u1s s ILE 59 Ca 0.24 0.74 -0.15 0.00 -1.10 0.00 0.00 60.65 60.37 1u1s s ILE 59 Cb 0.19 -3.68 -0.11 0.00 -1.06 0.00 0.00 42.46 37.80 1u1s s ILE 59 CO 0.48 0.51 -0.30 -1.54 -0.10 0.00 0.00 174.94 173.99 1u1s n SER 60 N 2.45 1.94 -3.94 3.58 3.41 0.14 -4.69 113.62 116.51 1u1s n SER 60 Ca -0.13 0.35 -0.09 0.00 -0.26 0.00 0.00 58.87 58.74 1u1s n SER 60 Cb 0.52 -0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 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 -2.57 0.14 -0.20 6.66 -4.23 -1.12 -5.02 115.64 109.30 1u1s s THR 61 Ca -0.35 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1u1s s THR 61 Cb 0.11 -1.02 0.04 0.00 1.34 0.00 0.00 72.50 72.97 1u1s s THR 61 CO 0.48 -0.66 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.09 1u1s s VAL 62 N -2.93 1.80 -0.26 2.29 1.01 -1.26 -1.49 120.40 119.57 1u1s s VAL 62 Ca -0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 1u1s s VAL 62 Cb 0.01 -1.83 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1u1s s VAL 62 CO -0.06 0.22 -0.05 -0.69 0.00 0.00 0.00 175.10 174.52 1u1s s VAL 63 N 1.33 2.86 0.43 2.92 1.01 0.05 -4.97 120.40 124.03 1u1s s VAL 63 Ca -0.01 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 1u1s s VAL 63 Cb -0.16 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 1u1s s VAL 63 CO -0.09 0.14 1.08 -2.16 0.00 0.00 0.00 175.10 174.07 1u1s s PRO 64 N 1.30 3.97 0.52 2.72 0.04 -1.26 -0.73 135.00 141.57 1u1s s PRO 64 Ca -0.01 1.55 0.31 0.00 0.04 0.00 0.00 61.00 62.88 1u1s s PRO 64 Cb -0.17 -2.41 1.30 0.00 0.04 0.00 0.00 34.50 33.26 1u1s s PRO 64 CO -0.04 -0.32 1.97 0.66 0.04 0.00 0.00 177.00 179.31 1u1s h SER 65 N 2.17 0.00 -5.02 6.66 4.64 -1.57 -3.44 113.55 116.99 1u1s h SER 65 Ca -0.49 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 1u1s h SER 65 Cb 1.22 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.12 1u1s h SER 65 CO 0.61 0.09 -0.57 0.00 -0.87 0.00 0.00 176.83 176.08 1u1s s ARG 66 N -3.75 0.46 0.57 4.77 1.70 -1.26 -5.09 118.95 116.34 1u1s s ARG 66 Ca 0.00 -0.60 -0.20 0.00 -0.47 0.00 0.00 55.73 54.46 1u1s s ARG 66 Cb 0.10 0.18 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1u1s s ARG 66 CO 0.57 -0.10 1.29 -1.25 -1.08 0.00 0.00 175.30 174.73 1u1s s PRO 67 N -1.84 3.03 0.09 3.89 0.04 -1.26 -5.04 135.00 133.91 1u1s s PRO 67 Ca -0.12 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.03 1u1s s PRO 67 Cb -0.06 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1u1s s PRO 67 CO -0.01 -1.22 -0.10 0.14 0.04 0.00 0.00 177.00 175.84 1u1s s VAL 68 N -1.41 0.91 -2.00 -0.36 -7.23 -1.26 -5.16 120.40 103.89 1u1s s VAL 68 Ca 0.75 -1.57 0.16 0.00 -1.81 0.00 0.00 61.98 59.50 1u1s s VAL 68 Cb -0.37 -1.28 0.13 0.00 0.56 0.00 0.00 36.38 35.42 1u1s s VAL 68 CO 0.42 -0.53 1.01 -1.14 -0.31 0.00 0.00 175.10 174.54