#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1t h GLY 4 N 0.00 0.00 -0.58 0.72 0.00 -2.08 -3.42 103.07 97.71 1u1t h GLY 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1u1t h GLY 4 CO 0.00 0.00 -0.26 1.42 0.00 0.00 0.00 176.54 177.70 1u1t n HIS 5 N -3.08 0.00 0.11 5.60 8.25 -1.26 -4.82 115.22 120.02 1u1t n HIS 5 Ca -0.02 -0.71 0.20 0.00 -0.26 0.00 0.00 57.72 56.93 1u1t n HIS 5 Cb 0.08 -0.13 0.76 0.00 1.12 0.00 0.00 29.99 31.82 1u1t n HIS 5 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1u1t h SER 6 N 0.15 0.00 0.00 0.41 4.64 -2.01 -2.29 113.55 114.45 1u1t h SER 6 Ca -0.01 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.05 1u1t h SER 6 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 1u1t h SER 6 CO 0.01 0.00 -1.80 -0.11 -0.87 0.00 0.00 176.83 174.05 1u1t n LEU 7 N -3.76 1.29 -0.08 5.97 7.94 -1.26 -4.55 117.00 122.54 1u1t n LEU 7 Ca 0.06 0.22 -0.06 0.00 -1.11 0.00 0.00 56.01 55.12 1u1t n LEU 7 Cb 0.56 -0.53 -0.00 0.00 0.53 0.00 0.00 43.42 43.98 1u1t n LEU 7 CO 0.28 0.26 0.79 -0.61 -1.11 0.00 0.00 177.39 176.99 1u1t h GLN 8 N -0.63 -0.04 0.13 1.96 4.15 -1.89 -1.97 115.11 116.82 1u1t h GLN 8 Ca -0.39 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.03 1u1t h GLN 8 Cb 1.29 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1u1t h GLN 8 CO -0.23 -0.03 -0.06 -0.44 -1.93 0.00 0.00 178.83 176.14 1u1t h ASP 9 N -0.04 -0.15 -0.46 -0.69 3.32 -1.71 -0.30 116.42 116.40 1u1t h ASP 9 Ca 0.16 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1u1t h ASP 9 Cb 0.28 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1u1t h ASP 9 CO -0.34 -0.06 0.21 -0.65 -1.72 0.00 0.00 179.24 176.67 1u1t h PRO 10 N -0.22 0.72 0.29 3.56 0.11 -1.74 -0.48 132.00 134.24 1u1t h PRO 10 Ca -0.02 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1u1t h PRO 10 Cb 0.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1u1t h PRO 10 CO 0.03 0.59 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.35 1u1t h TYR 11 N 0.72 -0.36 -0.75 0.65 3.20 -1.15 -1.46 116.97 117.82 1u1t h TYR 11 Ca 0.17 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1u1t h TYR 11 Cb 0.13 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 1u1t h TYR 11 CO 0.01 -0.03 0.32 -0.07 -1.64 0.00 0.00 178.16 176.75 1u1t h LEU 12 N -0.70 1.01 -1.09 2.82 3.38 -0.96 -2.20 115.31 117.57 1u1t h LEU 12 Ca -0.04 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1u1t h LEU 12 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1u1t h LEU 12 CO 0.06 0.88 -0.12 -1.13 0.09 0.00 0.00 178.44 178.22 1u1t h ASN 13 N 1.08 0.49 -0.30 -0.43 -1.24 -1.08 -0.23 115.58 113.88 1u1t h ASN 13 Ca 0.26 -0.13 -0.08 0.00 0.71 0.00 0.00 56.30 57.06 1u1t h ASN 13 Cb 0.17 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1u1t h ASN 13 CO -0.03 0.64 -0.13 0.74 -1.29 0.00 0.00 177.43 177.37 1u1t h THR 14 N 0.47 1.29 -0.46 -3.57 2.02 -0.87 -0.17 112.91 111.61 1u1t h THR 14 Ca 0.09 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 1u1t h THR 14 Cb 0.49 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 1u1t h THR 14 CO 0.03 0.39 0.14 -0.07 0.37 0.00 0.00 175.52 176.37 1u1t h LEU 15 N 0.36 0.62 0.54 2.58 3.38 -1.10 -1.40 115.31 120.30 1u1t h LEU 15 Ca 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1u1t h LEU 15 Cb 0.64 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1u1t h LEU 15 CO 0.04 0.60 -0.26 -0.09 0.09 0.00 0.00 178.44 178.82 1u1t h ARG 16 N 0.67 -0.70 -0.60 1.13 2.43 -0.75 -1.91 114.38 114.64 1u1t h ARG 16 Ca 0.16 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1u1t h ARG 16 Cb 0.21 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1u1t h ARG 16 CO -0.01 -0.42 0.35 0.87 -1.51 0.00 0.00 179.97 179.25 1u1t h LYS 17 N -1.13 0.80 -0.02 0.20 1.57 -1.01 -1.83 116.57 115.16 1u1t h LYS 17 Ca -0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1u1t h LYS 17 Cb 0.60 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1u1t h LYS 17 CO 0.12 0.57 0.00 0.39 -0.57 0.00 0.00 179.45 179.96 1u1t n GLU 18 N -4.41 1.53 -4.01 3.15 1.02 -0.53 -4.93 120.64 112.45 1u1t n GLU 18 Ca 0.06 -0.77 -0.33 0.00 -0.02 0.00 0.00 57.16 56.10 1u1t n GLU 18 Cb 0.08 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 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 -0.06 -3.99 -2.15 3.49 1.74 -0.69 -4.90 116.66 110.10 1u1t n ARG 19 Ca 0.20 0.46 -0.42 0.00 -0.77 0.00 0.00 57.85 57.32 1u1t n ARG 19 Cb 0.30 -5.25 -0.03 0.00 -1.02 0.00 0.00 32.46 26.46 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 -3.23 3.27 0.36 1.55 1.01 -0.79 -4.97 120.40 117.59 1u1t s VAL 20 Ca 0.68 0.90 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 1u1t s VAL 20 Cb -0.36 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 1u1t s VAL 20 CO 0.84 0.06 1.38 -2.84 0.00 0.00 0.00 175.10 174.54 1u1t s PRO 21 N 1.23 4.20 0.08 2.72 0.02 -1.26 -4.55 135.00 137.45 1u1t s PRO 21 Ca 0.65 2.36 -0.02 0.00 0.02 0.00 0.00 61.00 64.01 1u1t s PRO 21 Cb -0.37 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 1u1t s PRO 21 CO 0.30 -0.37 0.03 0.14 -0.33 0.00 0.00 177.00 176.77 1u1t s VAL 22 N -1.14 0.17 -0.09 3.83 -7.23 0.76 -0.43 120.40 116.26 1u1t s VAL 22 Ca 0.51 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.96 1u1t s VAL 22 Cb -0.42 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 1u1t s VAL 22 CO 0.57 -0.77 -0.24 -0.44 -0.31 0.00 0.00 175.10 173.91 1u1t s SER 23 N -2.96 3.05 -0.21 4.85 0.01 -0.46 -1.72 113.70 116.27 1u1t s SER 23 Ca 0.13 -0.54 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 1u1t s SER 23 Cb 0.07 -1.26 0.01 0.00 0.21 0.00 0.00 66.02 65.06 1u1t s SER 23 CO -0.06 0.18 -0.12 -0.63 0.41 0.00 0.00 173.24 173.02 1u1t s ILE 24 N 0.23 2.64 -0.16 1.44 1.01 0.70 -0.70 121.20 126.36 1u1t s ILE 24 Ca -0.15 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1u1t s ILE 24 Cb -0.17 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1u1t s ILE 24 CO 0.08 0.42 0.35 -0.31 0.00 0.00 0.00 174.94 175.48 1u1t s TYR 25 N 1.35 3.46 0.43 3.97 1.51 -0.25 -0.11 117.35 127.71 1u1t s TYR 25 Ca 0.04 0.67 -0.02 0.00 -1.01 0.00 0.00 57.07 56.75 1u1t s TYR 25 Cb -0.14 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 1u1t s TYR 25 CO -0.08 0.18 0.67 -0.51 -1.11 0.00 0.00 175.55 174.70 1u1t s LEU 26 N 0.64 3.77 0.58 -1.29 1.43 0.80 -0.74 118.68 123.86 1u1t s LEU 26 Ca 0.19 0.59 0.27 0.00 -1.03 0.00 0.00 54.13 54.16 1u1t s LEU 26 Cb -0.14 -3.49 1.69 0.00 0.03 0.00 0.00 46.19 44.28 1u1t s LEU 26 CO 0.06 -0.52 2.19 -0.37 0.23 0.00 0.00 176.35 177.94 1u1t h VAL 27 N 0.45 0.58 -0.01 -1.59 -1.51 -0.77 -0.73 116.25 112.68 1u1t h VAL 27 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1u1t h VAL 27 Cb 1.22 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1u1t h VAL 27 CO 0.61 0.00 -0.03 -0.46 -1.23 0.00 0.00 177.57 176.46 1u1t n ASN 28 N -3.95 0.72 0.00 4.19 0.23 -1.26 -4.91 115.26 110.28 1u1t n ASN 28 Ca -0.01 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 1u1t n ASN 28 Cb 0.17 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 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 1.92 3.77 4.83 0.00 -0.28 -5.07 105.19 111.50 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 -2.42 2.33 -0.27 -0.61 1.01 -1.26 -4.72 121.20 115.27 1u1t s ILE 30 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 1u1t s ILE 30 Cb 0.00 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.28 1u1t s ILE 30 CO 0.00 0.08 -0.01 -0.75 0.00 0.00 0.00 174.94 174.26 1u1t s LYS 31 N -1.88 2.87 0.06 2.79 2.20 -1.26 -0.14 119.74 124.37 1u1t s LYS 31 Ca 0.52 -0.97 -0.00 0.00 -0.36 0.00 0.00 55.97 55.15 1u1t s LYS 31 Cb -0.44 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 1u1t s LYS 31 CO 0.58 -0.44 0.21 -0.51 -0.36 0.00 0.00 175.35 174.83 1u1t s LEU 32 N 1.37 4.36 0.04 5.43 1.43 0.85 -4.93 118.68 127.23 1u1t s LEU 32 Ca 0.00 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1u1t s LEU 32 Cb -0.17 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1u1t s LEU 32 CO -0.02 0.17 -0.09 -1.10 0.23 0.00 0.00 176.35 175.55 1u1t s GLN 33 N -2.48 0.58 0.00 1.70 -0.21 -1.26 -0.22 119.66 117.78 1u1t s GLN 33 Ca 0.35 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 55.01 1u1t s GLN 33 Cb -0.13 -0.43 0.00 0.00 1.00 0.00 0.00 33.01 33.46 1u1t s GLN 33 CO 0.27 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.94 1u1t n GLY 34 N 1.66 -0.31 3.06 3.09 0.00 -0.70 -4.56 105.19 107.44 1u1t n GLY 34 Ca -0.21 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 0.39 -0.26 1.61 -2.07 -0.03 -0.17 119.66 117.13 1u1t s GLN 35 Ca 0.00 -0.32 -0.29 0.00 -1.82 0.00 0.00 55.36 52.93 1u1t s GLN 35 Cb 0.00 0.16 -0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1u1t s GLN 35 CO 0.00 -0.08 1.39 0.42 -1.32 0.00 0.00 175.29 175.69 1u1t s ILE 36 N -1.11 4.03 -0.04 3.63 1.01 -1.26 -0.71 121.20 126.74 1u1t s ILE 36 Ca -0.12 1.17 -0.14 0.00 0.00 0.00 0.00 60.65 61.56 1u1t s ILE 36 Cb -0.07 -4.00 -0.31 0.00 0.01 0.00 0.00 42.46 38.09 1u1t s ILE 36 CO 0.01 -0.38 0.74 -0.33 0.00 0.00 0.00 174.94 174.98 1u1t h GLU 37 N 9.54 0.40 -2.30 2.79 5.08 -1.00 -3.39 114.58 125.70 1u1t h GLU 37 Ca -0.28 -0.69 0.23 0.00 -1.00 0.00 0.00 59.36 57.61 1u1t h GLU 37 Cb 1.11 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 30.57 1u1t h GLU 37 CO 1.02 1.33 0.69 -1.54 -1.00 0.00 0.00 179.01 179.50 1u1t s SER 38 N -7.31 -0.02 -0.00 1.42 1.04 -1.21 -5.01 113.70 102.62 1u1t s SER 38 Ca -0.15 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 55.52 1u1t s SER 38 Cb 0.05 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.64 1u1t s SER 38 CO 0.86 -0.73 0.96 0.72 0.98 0.00 0.00 173.24 176.03 1u1t s PHE 39 N -2.25 -0.27 0.00 5.02 -0.12 -1.26 -0.56 117.98 118.54 1u1t s PHE 39 Ca 0.22 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.22 1u1t s PHE 39 Cb -0.01 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1u1t s PHE 39 CO 0.03 -0.54 0.00 -0.40 -0.05 0.00 0.00 175.22 174.26 1u1t n ASP 40 N -0.27 0.25 0.26 1.98 5.68 -0.54 -5.01 116.55 118.90 1u1t n ASP 40 Ca -0.07 -0.51 0.13 0.00 -0.50 0.00 0.00 54.79 53.83 1u1t n ASP 40 Cb 0.61 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.37 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 -3.32 115.11 114.01 1u1t h GLN 41 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 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 -1.16 1.19 -1.93 0.00 0.00 178.83 176.93 1u1t n PHE 42 N -4.16 0.00 -4.34 3.99 3.72 -1.26 -4.97 117.46 110.44 1u1t n PHE 42 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 1u1t n PHE 42 Cb 0.14 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.18 0.96 -0.06 -4.37 -7.23 -1.25 -0.58 120.40 105.69 1u1t s VAL 43 Ca -0.01 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1u1t s VAL 43 Cb 0.02 -2.45 0.02 0.00 0.56 0.00 0.00 36.38 34.53 1u1t s VAL 43 CO 0.13 -0.23 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.98 1u1t s ILE 44 N -3.47 0.77 -0.40 -0.62 1.01 0.12 -1.46 121.20 117.15 1u1t s ILE 44 Ca 0.31 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.50 1u1t s ILE 44 Cb 0.06 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1u1t s ILE 44 CO 0.10 0.28 0.62 -0.22 0.00 0.00 0.00 174.94 175.72 1u1t s LEU 45 N 0.88 4.42 -0.19 2.97 2.96 0.27 -0.30 118.68 129.68 1u1t s LEU 45 Ca -0.11 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 1u1t s LEU 45 Cb -0.15 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 1u1t s LEU 45 CO 0.01 -0.69 0.05 -0.22 -1.32 0.00 0.00 176.35 174.18 1u1t s LEU 46 N 2.73 3.62 -0.17 -0.68 2.96 0.43 -0.27 118.68 127.31 1u1t s LEU 46 Ca 0.23 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1u1t s LEU 46 Cb -0.14 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1u1t s LEU 46 CO 0.17 0.12 0.04 -0.75 -1.32 0.00 0.00 176.35 174.61 1u1t s LYS 47 N 0.68 3.88 0.00 1.98 2.36 0.11 -0.90 119.74 127.86 1u1t s LYS 47 Ca 0.02 -0.38 0.00 0.00 -2.55 0.00 0.00 55.97 53.06 1u1t s LYS 47 Cb -0.13 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.51 1u1t s LYS 47 CO 0.02 0.28 0.00 0.27 1.55 0.00 0.00 175.35 177.47 1u1t n ASN 48 N 3.48 0.00 -0.16 1.43 6.94 -1.26 -0.85 115.26 124.84 1u1t n ASN 48 Ca -0.17 0.00 0.18 0.00 -0.02 0.00 0.00 54.58 54.58 1u1t n ASN 48 Cb 0.52 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 38.50 1u1t n ASN 48 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1u1t h THR 49 N 0.00 0.73 -4.06 5.53 2.02 -1.95 -3.42 112.91 111.76 1u1t h THR 49 Ca 0.00 -0.10 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 1u1t h THR 49 Cb 0.00 0.41 -0.13 0.00 -1.74 0.00 0.00 68.15 66.69 1u1t h THR 49 CO 0.00 0.05 -0.41 0.68 0.37 0.00 0.00 175.52 176.22 1u1t s VAL 50 N -5.30 0.06 -0.51 3.16 -7.23 -1.26 -5.13 120.40 104.19 1u1t s VAL 50 Ca -0.07 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.37 1u1t s VAL 50 Cb 0.21 -1.98 0.09 0.00 0.56 0.00 0.00 36.38 35.26 1u1t s VAL 50 CO 0.76 -0.28 0.49 -0.55 -0.31 0.00 0.00 175.10 175.21 1u1t s SER 51 N -3.01 6.18 0.17 4.85 0.15 -1.26 -4.44 113.70 116.34 1u1t s SER 51 Ca 0.21 -1.41 0.07 0.00 0.70 0.00 0.00 55.95 55.52 1u1t s SER 51 Cb 0.04 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1u1t s SER 51 CO 0.02 -0.80 0.05 0.00 1.20 0.00 0.00 173.24 173.71 1u1t s GLN 52 N 1.90 2.57 -0.26 5.44 -2.07 -0.08 -4.92 119.66 122.25 1u1t s GLN 52 Ca 0.06 -1.04 -0.11 0.00 -1.82 0.00 0.00 55.36 52.46 1u1t s GLN 52 Cb -0.25 -2.45 -0.05 0.00 -1.09 0.00 0.00 33.01 29.17 1u1t s GLN 52 CO 0.06 0.46 0.19 1.41 -1.32 0.00 0.00 175.29 176.10 1u1t s MET 53 N -3.02 4.02 -0.15 9.60 -2.45 -1.26 -0.42 119.30 125.61 1u1t s MET 53 Ca 0.29 -0.26 -0.03 0.00 -1.25 0.00 0.00 55.69 54.43 1u1t s MET 53 Cb -0.09 -3.60 -0.03 0.00 1.25 0.00 0.00 34.83 32.36 1u1t s MET 53 CO 0.20 -0.06 -0.04 0.08 1.05 0.00 0.00 175.02 176.25 1u1t s VAL 54 N 1.41 3.86 0.01 10.11 1.01 0.58 -4.95 120.40 132.44 1u1t s VAL 54 Ca 0.08 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1u1t s VAL 54 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1u1t s VAL 54 CO 0.08 0.50 1.02 -0.31 0.00 0.00 0.00 175.10 176.39 1u1t s TYR 55 N 0.32 3.61 0.42 5.22 1.51 -1.26 -0.70 117.35 126.47 1u1t s TYR 55 Ca -0.04 1.62 0.09 0.00 -1.01 0.00 0.00 57.07 57.73 1u1t s TYR 55 Cb -0.14 -3.18 0.91 0.00 -0.11 0.00 0.00 41.96 39.44 1u1t s TYR 55 CO 0.03 -0.26 2.04 0.87 -1.11 0.00 0.00 175.55 177.12 1u1t h LYS 56 N 6.80 0.49 0.00 -0.62 1.57 -1.19 -1.82 116.57 121.81 1u1t h LYS 56 Ca -0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1u1t h LYS 56 Cb 1.22 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1u1t h LYS 56 CO 0.76 0.33 0.00 1.12 -0.57 0.00 0.00 179.45 181.09 1u1t h HIS 57 N 0.51 0.00 -0.01 -1.35 2.07 -1.92 0.28 115.15 114.73 1u1t h HIS 57 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1u1t h HIS 57 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 1u1t h HIS 57 CO -0.00 0.00 -0.45 0.00 -3.07 0.00 0.00 177.93 174.41 1u1t n ALA 58 N -2.08 3.50 -2.46 6.11 0.00 -0.69 -4.92 120.51 119.97 1u1t n ALA 58 Ca -0.03 -0.50 -0.39 0.00 0.00 0.00 0.00 53.44 52.52 1u1t n ALA 58 Cb 0.07 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.62 4.90 -0.23 0.00 1.01 0.09 -0.07 121.20 124.29 1u1t s ILE 59 Ca 0.19 1.20 -0.16 0.00 0.00 0.00 0.00 60.65 61.88 1u1t s ILE 59 Cb 0.18 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.64 1u1t s ILE 59 CO 0.60 0.44 -0.24 -1.54 0.00 0.00 0.00 174.94 174.21 1u1t n SER 60 N 2.57 1.92 -3.98 3.58 3.41 0.08 -4.73 113.62 116.47 1u1t n SER 60 Ca -0.08 0.38 -0.08 0.00 -0.26 0.00 0.00 58.87 58.83 1u1t n SER 60 Cb 0.51 -0.83 -0.09 0.00 -0.26 0.00 0.00 64.21 63.54 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 -2.56 0.17 -0.17 6.66 -4.23 -1.12 -5.02 115.64 109.36 1u1t s THR 61 Ca -0.32 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1u1t s THR 61 Cb 0.09 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.77 1u1t s THR 61 CO 0.46 -0.76 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.97 1u1t s VAL 62 N -3.33 1.63 -0.29 2.29 1.01 -1.26 -1.09 120.40 119.37 1u1t s VAL 62 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1u1t s VAL 62 Cb 0.03 -1.61 0.07 0.00 0.00 0.00 0.00 36.38 34.87 1u1t s VAL 62 CO -0.08 0.34 -0.03 -0.69 0.00 0.00 0.00 175.10 174.63 1u1t s VAL 63 N 1.43 2.48 0.57 2.92 1.01 0.12 -4.99 120.40 123.95 1u1t s VAL 63 Ca 0.02 -1.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.09 1u1t s VAL 63 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1u1t s VAL 63 CO -0.10 -0.19 1.28 -2.84 0.00 0.00 0.00 175.10 173.26 1u1t s PRO 64 N 1.11 3.03 0.48 2.72 0.02 -1.26 -1.36 135.00 139.75 1u1t s PRO 64 Ca -0.04 2.03 0.31 0.00 0.02 0.00 0.00 61.00 63.33 1u1t s PRO 64 Cb -0.20 -2.09 1.27 0.00 0.02 0.00 0.00 34.50 33.50 1u1t s PRO 64 CO -0.04 -1.21 1.92 0.66 -0.33 0.00 0.00 177.00 177.99 1u1t h SER 65 N 1.16 0.00 -5.21 2.53 4.64 -1.09 -3.45 113.55 112.13 1u1t h SER 65 Ca -0.51 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.73 1u1t h SER 65 Cb 1.30 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.27 1u1t h SER 65 CO 0.56 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 176.26 1u1t s ARG 66 N -3.58 1.14 0.50 4.77 1.70 -1.26 -5.07 118.95 117.15 1u1t s ARG 66 Ca 0.02 -1.07 -0.23 0.00 -0.47 0.00 0.00 55.73 53.97 1u1t s ARG 66 Cb 0.09 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.80 1u1t s ARG 66 CO 0.51 -0.42 1.31 -2.30 -1.08 0.00 0.00 175.30 173.31 1u1t n PRO 67 N -0.21 1.79 -4.36 3.89 -0.02 -1.26 -5.02 135.00 129.81 1u1t n PRO 67 Ca -0.09 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 61.84 1u1t n PRO 67 Cb 0.63 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.26 1.00 -0.22 -1.45 -7.23 -1.26 -5.13 120.40 104.84 1u1t s VAL 68 Ca 0.67 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.89 1u1t s VAL 68 Cb -0.45 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1u1t s VAL 68 CO 0.53 0.04 0.11 -0.60 -0.31 0.00 0.00 175.10 174.87 1u1t s ARG 69 N -0.93 3.94 0.39 4.82 3.52 -1.26 -5.09 118.95 124.34 1u1t s ARG 69 Ca 0.01 -0.35 -0.20 0.00 -0.13 0.00 0.00 55.73 55.07 1u1t s ARG 69 Cb -0.07 -3.39 -0.10 0.00 -1.56 0.00 0.00 34.95 29.83 1u1t s ARG 69 CO 0.01 0.06 0.89 -0.51 -0.81 0.00 0.00 175.30 174.94 1u1t s LEU 70 N 0.99 4.00 0.00 -0.88 1.02 -1.26 -5.04 118.68 117.51 1u1t s LEU 70 Ca 0.06 1.60 0.04 0.00 0.02 0.00 0.00 54.13 55.84 1u1t s LEU 70 Cb -0.14 -4.38 0.24 0.00 0.02 0.00 0.00 46.19 41.93 1u1t s LEU 70 CO 0.03 -0.30 0.72 -2.65 0.02 0.00 0.00 176.35 174.17