#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1t h SER 6 N 0.00 0.00 0.00 0.41 0.87 -2.06 -2.40 113.55 110.37 1u1t h SER 6 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 1u1t h SER 6 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1u1t h SER 6 CO 0.00 0.00 -1.55 -0.11 -0.53 0.00 0.00 176.83 174.64 1u1t n LEU 7 N -3.76 1.87 -0.03 2.23 7.94 -1.26 -4.60 117.00 119.38 1u1t n LEU 7 Ca 0.06 0.03 -0.08 0.00 -1.11 0.00 0.00 56.01 54.91 1u1t n LEU 7 Cb 0.56 -0.31 -0.02 0.00 0.53 0.00 0.00 43.42 44.17 1u1t n LEU 7 CO 0.28 0.44 0.80 -0.61 -1.11 0.00 0.00 177.39 177.18 1u1t h GLN 8 N -0.18 -0.07 0.21 1.96 4.15 -1.98 -1.25 115.11 117.95 1u1t h GLN 8 Ca -0.23 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 1u1t h GLN 8 Cb 1.27 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1u1t h GLN 8 CO -0.09 -0.05 -0.10 -0.44 -1.93 0.00 0.00 178.83 176.22 1u1t h ASP 9 N -0.07 -0.24 -0.70 -0.69 3.32 -1.74 -0.65 116.42 115.65 1u1t h ASP 9 Ca 0.11 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1u1t h ASP 9 Cb 0.23 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1u1t h ASP 9 CO -0.24 -0.11 0.44 -0.65 -1.72 0.00 0.00 179.24 176.96 1u1t h PRO 10 N -0.35 0.83 0.39 3.56 0.11 -1.74 0.20 132.00 135.01 1u1t h PRO 10 Ca -0.03 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1u1t h PRO 10 Cb 0.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1u1t h PRO 10 CO 0.05 0.55 -0.19 -0.92 -0.21 0.00 0.00 178.00 177.28 1u1t h TYR 11 N 0.85 -0.49 -0.31 0.65 3.20 -1.12 -0.57 116.97 119.19 1u1t h TYR 11 Ca 0.29 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 1u1t h TYR 11 Cb 0.03 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1u1t h TYR 11 CO -0.04 -0.29 -0.14 -0.07 -1.64 0.00 0.00 178.16 175.97 1u1t h LEU 12 N -0.55 0.53 -0.96 2.82 3.38 -0.97 -2.29 115.31 117.27 1u1t h LEU 12 Ca -0.05 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1u1t h LEU 12 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1u1t h LEU 12 CO 0.09 0.70 -0.20 -1.13 0.09 0.00 0.00 178.44 177.99 1u1t h ASN 13 N 0.50 0.52 -0.40 -0.43 -1.24 -0.79 -0.43 115.58 113.31 1u1t h ASN 13 Ca 0.09 -0.16 -0.13 0.00 0.71 0.00 0.00 56.30 56.81 1u1t h ASN 13 Cb 0.54 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1u1t h ASN 13 CO 0.03 0.73 -0.24 0.74 -1.29 0.00 0.00 177.43 177.40 1u1t h THR 14 N 0.47 1.28 -0.48 -3.57 2.02 -0.74 -0.51 112.91 111.38 1u1t h THR 14 Ca 0.08 -1.39 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 1u1t h THR 14 Cb 0.61 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1u1t h THR 14 CO 0.04 0.47 0.03 -0.07 0.37 0.00 0.00 175.52 176.36 1u1t h LEU 15 N 0.69 0.74 0.44 2.58 3.38 -1.06 -1.14 115.31 120.94 1u1t h LEU 15 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1u1t h LEU 15 Cb 0.81 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1u1t h LEU 15 CO 0.07 0.79 -0.21 -0.09 0.09 0.00 0.00 178.44 179.08 1u1t h ARG 16 N 0.74 -0.57 -0.82 1.13 2.43 -0.86 -2.18 114.38 114.23 1u1t h ARG 16 Ca 0.15 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1u1t h ARG 16 Cb 0.40 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 1u1t h ARG 16 CO 0.01 -0.27 0.52 0.87 -1.51 0.00 0.00 179.97 179.60 1u1t h LYS 17 N -0.87 0.98 -0.00 0.20 1.57 -0.98 -1.68 116.57 115.78 1u1t h LYS 17 Ca -0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1u1t h LYS 17 Cb 0.57 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1u1t h LYS 17 CO 0.10 0.65 -0.02 0.39 -0.57 0.00 0.00 179.45 180.00 1u1t n GLU 18 N -4.59 0.77 -3.38 3.15 -0.58 -0.44 -4.90 120.64 110.66 1u1t n GLU 18 Ca 0.10 -0.09 -0.24 0.00 -0.42 0.00 0.00 57.16 56.51 1u1t n GLU 18 Cb 0.11 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.49 1u1t n GLU 18 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u1t n ARG 19 N -1.04 -3.99 -2.31 3.49 1.74 -0.63 -4.90 116.66 109.02 1u1t n ARG 19 Ca 0.18 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.42 1u1t n ARG 19 Cb 0.20 -5.35 -0.03 0.00 -1.02 0.00 0.00 32.46 26.27 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 -3.04 3.96 0.41 1.55 1.01 -0.94 -4.98 120.40 118.37 1u1t s VAL 20 Ca 0.42 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.43 1u1t s VAL 20 Cb -0.22 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1u1t s VAL 20 CO 0.52 -0.03 1.38 -2.84 0.00 0.00 0.00 175.10 174.13 1u1t s PRO 21 N 2.63 3.94 0.13 2.72 0.02 -1.26 -4.60 135.00 138.57 1u1t s PRO 21 Ca 0.61 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.98 1u1t s PRO 21 Cb -0.28 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.41 1u1t s PRO 21 CO 0.23 -0.58 -0.08 0.14 -0.33 0.00 0.00 177.00 176.39 1u1t s VAL 22 N -1.20 0.95 -0.17 3.83 -7.23 0.92 -0.93 120.40 116.57 1u1t s VAL 22 Ca 0.57 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1u1t s VAL 22 Cb -0.42 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 1u1t s VAL 22 CO 0.54 -0.78 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.02 1u1t s SER 23 N -3.12 4.16 -0.28 4.85 0.01 0.38 -1.93 113.70 117.77 1u1t s SER 23 Ca 0.15 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 57.03 1u1t s SER 23 Cb 0.04 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.62 1u1t s SER 23 CO -0.01 0.08 0.01 -0.63 0.41 0.00 0.00 173.24 173.10 1u1t s ILE 24 N 0.85 3.32 -0.14 1.44 1.01 0.15 -0.34 121.20 127.48 1u1t s ILE 24 Ca -0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.45 1u1t s ILE 24 Cb -0.15 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1u1t s ILE 24 CO 0.01 0.06 0.43 -0.31 0.00 0.00 0.00 174.94 175.13 1u1t s TYR 25 N 1.37 3.48 0.43 3.97 1.51 -0.05 -0.57 117.35 127.49 1u1t s TYR 25 Ca -0.00 0.79 -0.05 0.00 -1.01 0.00 0.00 57.07 56.79 1u1t s TYR 25 Cb -0.18 -2.51 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 1u1t s TYR 25 CO -0.01 0.15 0.73 -0.51 -1.11 0.00 0.00 175.55 174.79 1u1t s LEU 26 N 0.73 3.76 0.66 -1.29 1.43 -0.11 -0.68 118.68 123.18 1u1t s LEU 26 Ca 0.23 0.89 0.42 0.00 -1.03 0.00 0.00 54.13 54.64 1u1t s LEU 26 Cb -0.15 -3.80 2.33 0.00 0.03 0.00 0.00 46.19 44.61 1u1t s LEU 26 CO 0.09 -0.47 2.36 -0.37 0.23 0.00 0.00 176.35 178.18 1u1t h VAL 27 N 0.57 0.10 -0.19 -1.59 -1.51 -0.87 -0.20 116.25 112.55 1u1t h VAL 27 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1u1t h VAL 27 Cb 1.20 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1u1t h VAL 27 CO 0.62 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.50 1u1t n ASN 28 N -3.22 1.76 0.00 4.19 0.23 -1.26 -4.93 115.26 112.03 1u1t n ASN 28 Ca -0.03 -1.74 0.00 0.00 -0.53 0.00 0.00 54.58 52.28 1u1t n ASN 28 Cb 0.07 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 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 1.14 0.93 3.76 4.83 0.00 -0.09 -5.05 105.19 110.70 1u1t n GLY 29 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.25 3.52 -0.20 -0.61 1.01 -1.26 -4.80 121.20 116.61 1u1t s ILE 30 Ca 0.00 1.52 -0.04 0.00 0.00 0.00 0.00 60.65 62.12 1u1t s ILE 30 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1u1t s ILE 30 CO 0.00 0.36 -0.02 -0.75 0.00 0.00 0.00 174.94 174.53 1u1t s LYS 31 N -1.36 3.54 0.06 2.79 2.20 -1.26 -0.93 119.74 124.77 1u1t s LYS 31 Ca 0.45 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 1u1t s LYS 31 Cb -0.32 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1u1t s LYS 31 CO 0.40 -0.04 0.07 -0.51 -0.36 0.00 0.00 175.35 174.91 1u1t s LEU 32 N 1.12 3.77 0.04 5.43 1.43 0.27 -4.94 118.68 125.79 1u1t s LEU 32 Ca 0.02 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1u1t s LEU 32 Cb -0.14 -2.39 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1u1t s LEU 32 CO 0.01 0.20 -0.09 -1.10 0.23 0.00 0.00 176.35 175.59 1u1t s GLN 33 N -2.20 0.61 0.00 1.70 -0.21 -1.26 0.32 119.66 118.62 1u1t s GLN 33 Ca 0.27 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1u1t s GLN 33 Cb -0.12 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.41 1u1t s GLN 33 CO 0.19 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 1u1t n GLY 34 N 1.77 -0.33 3.29 3.09 0.00 -0.81 -4.79 105.19 107.41 1u1t n GLY 34 Ca -0.20 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1u1t n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u1t s GLN 35 N -2.00 1.87 -0.35 1.61 -0.21 -0.76 -0.05 119.66 119.77 1u1t s GLN 35 Ca 0.00 -0.94 -0.29 0.00 0.02 0.00 0.00 55.36 54.15 1u1t s GLN 35 Cb 0.00 -1.89 0.01 0.00 1.00 0.00 0.00 33.01 32.13 1u1t s GLN 35 CO 0.00 0.51 1.34 0.42 -2.12 0.00 0.00 175.29 175.44 1u1t s ILE 36 N -0.65 4.04 -0.09 1.08 1.01 -1.26 -0.56 121.20 124.76 1u1t s ILE 36 Ca 0.10 1.13 -0.21 0.00 0.00 0.00 0.00 60.65 61.67 1u1t s ILE 36 Cb -0.09 -4.19 -0.17 0.00 0.01 0.00 0.00 42.46 38.01 1u1t s ILE 36 CO 0.00 -0.61 0.70 -0.33 0.00 0.00 0.00 174.94 174.70 1u1t h GLU 37 N 9.88 -0.07 -2.96 2.79 4.39 -1.41 -3.40 114.58 123.80 1u1t h GLU 37 Ca -0.27 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1u1t h GLU 37 Cb 1.10 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1u1t h GLU 37 CO 1.06 0.52 0.31 -1.54 -1.16 0.00 0.00 179.01 178.20 1u1t s SER 38 N -5.81 0.03 -0.05 1.42 1.04 -1.24 -5.01 113.70 104.07 1u1t s SER 38 Ca -0.13 -1.15 -0.29 0.00 0.48 0.00 0.00 55.95 54.86 1u1t s SER 38 Cb -0.01 0.83 0.11 0.00 0.10 0.00 0.00 66.02 67.05 1u1t s SER 38 CO 0.49 -1.66 0.91 0.72 0.98 0.00 0.00 173.24 174.69 1u1t s PHE 39 N -2.17 -0.36 0.00 5.02 -0.12 -1.26 -0.82 117.98 118.28 1u1t s PHE 39 Ca 0.16 0.35 0.00 0.00 -0.05 0.00 0.00 56.93 57.39 1u1t s PHE 39 Cb -0.05 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1u1t s PHE 39 CO 0.11 -0.49 0.00 -0.40 -0.05 0.00 0.00 175.22 174.39 1u1t n ASP 40 N 0.04 0.43 0.25 1.98 5.68 -0.35 -5.01 116.55 119.57 1u1t n ASP 40 Ca -0.09 -0.30 0.07 0.00 -0.50 0.00 0.00 54.79 53.97 1u1t n ASP 40 Cb 0.61 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.18 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 -3.33 115.11 114.01 1u1t h GLN 41 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 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 0.07 -1.27 1.19 -1.93 0.00 0.00 178.83 176.90 1u1t n PHE 42 N -4.41 0.00 -4.25 3.99 3.72 -1.26 -4.96 117.46 110.29 1u1t n PHE 42 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 1u1t n PHE 42 Cb 0.15 -0.16 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 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 -2.29 0.82 -0.04 -4.37 -7.23 -1.25 -0.64 120.40 105.39 1u1t s VAL 43 Ca -0.02 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1u1t s VAL 43 Cb 0.03 -2.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.89 1u1t s VAL 43 CO 0.21 -0.53 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.70 1u1t s ILE 44 N -3.56 1.24 -0.32 -0.62 1.01 0.02 -1.21 121.20 117.75 1u1t s ILE 44 Ca 0.22 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 1u1t s ILE 44 Cb 0.05 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1u1t s ILE 44 CO 0.03 0.36 0.35 -0.76 0.00 0.00 0.00 174.94 174.93 1u1t s LEU 45 N 0.10 4.33 -0.32 2.97 1.43 0.00 -0.14 118.68 127.05 1u1t s LEU 45 Ca -0.04 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1u1t s LEU 45 Cb -0.11 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1u1t s LEU 45 CO 0.02 -0.29 0.16 -0.22 0.23 0.00 0.00 176.35 176.24 1u1t s LEU 46 N 2.01 4.22 0.15 1.79 2.96 0.45 -0.93 118.68 129.33 1u1t s LEU 46 Ca 0.12 -0.65 -0.16 0.00 -0.22 0.00 0.00 54.13 53.22 1u1t s LEU 46 Cb -0.16 -1.99 -0.07 0.00 0.50 0.00 0.00 46.19 44.46 1u1t s LEU 46 CO 0.11 -0.24 0.59 -0.75 -1.32 0.00 0.00 176.35 174.74 1u1t s LYS 47 N 1.59 4.06 0.00 1.98 2.20 0.28 -1.56 119.74 128.29 1u1t s LYS 47 Ca 0.04 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1u1t s LYS 47 Cb -0.18 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1u1t s LYS 47 CO 0.06 0.48 0.00 -1.71 -0.36 0.00 0.00 175.35 173.82 1u1t n ASN 48 N 0.90 0.00 -0.01 1.43 2.85 -1.26 -1.82 115.26 117.35 1u1t n ASN 48 Ca -0.05 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.30 1u1t n ASN 48 Cb 0.51 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.48 1u1t n ASN 48 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1u1t h THR 49 N 0.00 1.12 -3.53 -0.44 2.02 -1.94 -3.44 112.91 106.70 1u1t h THR 49 Ca 0.00 -0.34 -0.30 0.00 0.77 0.00 0.00 66.41 66.54 1u1t h THR 49 Cb 0.00 1.16 -0.15 0.00 -1.74 0.00 0.00 68.15 67.42 1u1t h THR 49 CO 0.00 0.10 -0.71 -0.69 0.37 0.00 0.00 175.52 174.59 1u1t s VAL 50 N -5.71 1.04 -0.51 3.16 1.01 -1.26 -5.11 120.40 113.01 1u1t s VAL 50 Ca -0.14 -1.97 -0.20 0.00 0.00 0.00 0.00 61.98 59.67 1u1t s VAL 50 Cb 0.06 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1u1t s VAL 50 CO 0.68 -0.74 0.70 -0.44 0.00 0.00 0.00 175.10 175.30 1u1t s SER 51 N -3.03 6.26 0.24 3.32 0.01 -1.26 -4.61 113.70 114.63 1u1t s SER 51 Ca 0.14 -0.75 -0.09 0.00 1.31 0.00 0.00 55.95 56.56 1u1t s SER 51 Cb 0.02 -2.32 -0.07 0.00 0.21 0.00 0.00 66.02 63.86 1u1t s SER 51 CO -0.01 -0.96 0.56 0.00 0.41 0.00 0.00 173.24 173.25 1u1t s GLN 52 N 2.93 3.79 -0.23 12.44 -2.07 -0.60 -4.82 119.66 131.11 1u1t s GLN 52 Ca 0.19 0.27 -0.13 0.00 -1.82 0.00 0.00 55.36 53.87 1u1t s GLN 52 Cb -0.17 -2.63 -0.04 0.00 -1.09 0.00 0.00 33.01 29.07 1u1t s GLN 52 CO 0.14 0.29 0.28 1.41 -1.32 0.00 0.00 175.29 176.09 1u1t s MET 53 N -2.91 4.11 -0.17 9.60 -2.45 -1.26 -0.41 119.30 125.81 1u1t s MET 53 Ca 0.47 -0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.85 1u1t s MET 53 Cb -0.11 -3.55 -0.02 0.00 1.25 0.00 0.00 34.83 32.41 1u1t s MET 53 CO 0.22 -0.01 -0.07 0.08 1.05 0.00 0.00 175.02 176.29 1u1t s VAL 54 N 1.24 3.40 0.01 10.11 1.01 0.80 -4.96 120.40 132.01 1u1t s VAL 54 Ca 0.13 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1u1t s VAL 54 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1u1t s VAL 54 CO 0.06 0.48 1.08 -0.31 0.00 0.00 0.00 175.10 176.42 1u1t s TYR 55 N 0.74 3.52 0.39 5.22 2.02 -1.26 -0.80 117.35 127.19 1u1t s TYR 55 Ca -0.03 1.50 0.07 0.00 -0.37 0.00 0.00 57.07 58.23 1u1t s TYR 55 Cb -0.15 -3.27 0.82 0.00 -0.40 0.00 0.00 41.96 38.97 1u1t s TYR 55 CO 0.02 -0.62 2.02 0.87 -1.57 0.00 0.00 175.55 176.27 1u1t h LYS 56 N 6.89 0.61 0.00 -0.62 1.57 -1.23 -1.61 116.57 122.18 1u1t h LYS 56 Ca -0.40 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1u1t h LYS 56 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1u1t h LYS 56 CO 0.79 0.40 0.00 1.12 -0.57 0.00 0.00 179.45 181.20 1u1t h HIS 57 N 0.63 0.00 -0.02 -1.35 2.07 -1.92 0.10 115.15 114.65 1u1t h HIS 57 Ca 0.21 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.73 1u1t h HIS 57 Cb 0.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.06 1u1t h HIS 57 CO -0.00 0.00 -0.09 0.00 -3.07 0.00 0.00 177.93 174.77 1u1t n ALA 58 N -1.89 2.69 -2.65 6.11 0.00 -0.61 -4.93 120.51 119.24 1u1t n ALA 58 Ca -0.01 -0.61 -0.37 0.00 0.00 0.00 0.00 53.44 52.45 1u1t n ALA 58 Cb 0.10 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.10 5.21 -0.25 0.00 1.01 0.02 -0.21 121.20 124.88 1u1t s ILE 59 Ca 0.29 0.66 -0.15 0.00 0.00 0.00 0.00 60.65 61.44 1u1t s ILE 59 Cb 0.20 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.91 1u1t s ILE 59 CO 0.36 0.50 -0.30 -1.54 0.00 0.00 0.00 174.94 173.97 1u1t n SER 60 N 2.56 1.94 -3.93 3.58 3.41 0.14 -4.72 113.62 116.60 1u1t n SER 60 Ca -0.14 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.73 1u1t n SER 60 Cb 0.53 -0.82 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 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 -2.58 0.12 -0.22 6.66 -4.23 -1.09 -5.02 115.64 109.28 1u1t s THR 61 Ca -0.35 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1u1t s THR 61 Cb 0.11 -0.76 0.04 0.00 1.34 0.00 0.00 72.50 73.23 1u1t s THR 61 CO 0.48 -0.56 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.15 1u1t s VAL 62 N -2.31 2.09 -0.29 2.29 1.01 -1.26 -0.87 120.40 121.06 1u1t s VAL 62 Ca -0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.64 1u1t s VAL 62 Cb -0.03 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.36 1u1t s VAL 62 CO -0.03 0.27 -0.02 -0.69 0.00 0.00 0.00 175.10 174.64 1u1t s VAL 63 N 1.21 2.89 0.39 2.92 1.01 0.53 -4.97 120.40 124.37 1u1t s VAL 63 Ca -0.01 -1.40 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 1u1t s VAL 63 Cb -0.16 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1u1t s VAL 63 CO -0.09 -0.09 1.27 -2.84 0.00 0.00 0.00 175.10 173.35 1u1t s PRO 64 N 1.24 4.06 0.47 2.72 0.02 -1.26 -0.47 135.00 141.78 1u1t s PRO 64 Ca -0.06 2.09 0.24 0.00 0.02 0.00 0.00 61.00 63.29 1u1t s PRO 64 Cb -0.20 -2.80 1.15 0.00 0.02 0.00 0.00 34.50 32.68 1u1t s PRO 64 CO -0.02 -0.39 1.95 0.66 -0.33 0.00 0.00 177.00 178.87 1u1t h SER 65 N 2.81 0.00 -5.08 2.53 4.64 -1.36 -3.44 113.55 113.64 1u1t h SER 65 Ca -0.49 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.69 1u1t h SER 65 Cb 1.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.15 1u1t h SER 65 CO 0.63 0.20 -0.58 0.00 -0.87 0.00 0.00 176.83 176.21 1u1t s ARG 66 N -4.00 0.53 0.38 4.77 1.70 -1.26 -5.08 118.95 115.99 1u1t s ARG 66 Ca -0.02 -0.77 -0.25 0.00 -0.47 0.00 0.00 55.73 54.22 1u1t s ARG 66 Cb 0.12 0.20 -0.12 0.00 -0.57 0.00 0.00 34.95 34.59 1u1t s ARG 66 CO 0.62 -0.12 0.98 -2.30 -1.08 0.00 0.00 175.30 173.40 1u1t n PRO 67 N 0.87 1.30 -4.12 3.89 -0.02 -1.26 -5.03 135.00 130.63 1u1t n PRO 67 Ca -0.19 0.46 -0.16 0.00 -2.02 0.00 0.00 63.50 61.59 1u1t n PRO 67 Cb 0.58 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.86 -0.12 -1.45 -7.23 -1.26 -5.15 120.40 104.82 1u1t s VAL 68 Ca 0.62 -1.21 -0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1u1t s VAL 68 Cb -0.60 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1u1t s VAL 68 CO 0.58 -0.30 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.38 1u1t s ARG 69 N -1.67 3.24 0.00 4.82 3.52 -1.26 -5.19 118.95 122.41 1u1t s ARG 69 Ca -0.05 -0.61 0.20 0.00 -0.13 0.00 0.00 55.73 55.13 1u1t s ARG 69 Cb -0.10 -2.67 0.16 0.00 -1.56 0.00 0.00 34.95 30.78 1u1t s ARG 69 CO 0.01 0.36 1.13 1.28 -0.81 0.00 0.00 175.30 177.27