#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab5 n LEU 6 N 0.00 2.63 -4.58 4.31 7.94 -1.26 -4.93 117.00 121.11 1ab5 n LEU 6 Ca 0.00 0.99 -0.41 0.00 -1.11 0.00 0.00 56.01 55.48 1ab5 n LEU 6 Cb 0.00 -1.21 -0.07 0.00 0.53 0.00 0.00 43.42 42.67 1ab5 n LEU 6 CO 0.00 -0.36 0.29 -0.75 -1.11 0.00 0.00 177.39 175.47 1ab5 s LYS 7 N 3.97 3.75 0.10 1.96 2.20 -1.26 -4.44 119.74 126.02 1ab5 s LYS 7 Ca 0.98 0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 56.58 1ab5 s LYS 7 Cb -0.96 -3.77 -0.05 0.00 -1.51 0.00 0.00 37.83 31.54 1ab5 s LYS 7 CO 0.61 -0.61 0.34 -0.06 -0.36 0.00 0.00 175.35 175.26 1ab5 s PHE 8 N 2.50 3.51 -0.20 4.03 0.40 0.16 -0.38 117.98 127.99 1ab5 s PHE 8 Ca 0.21 0.53 0.01 0.00 -0.60 0.00 0.00 56.93 57.09 1ab5 s PHE 8 Cb -0.15 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.44 1ab5 s PHE 8 CO 0.13 0.49 -0.12 -1.17 0.70 0.00 0.00 175.22 175.25 1ab5 s LEU 9 N -2.43 2.29 -0.29 -0.37 2.96 -0.82 -0.46 118.68 119.56 1ab5 s LEU 9 Ca 0.37 -0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1ab5 s LEU 9 Cb -0.13 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1ab5 s LEU 9 CO 0.23 -0.12 0.25 -0.69 -1.32 0.00 0.00 176.35 174.70 1ab5 s VAL 10 N 1.37 5.26 -0.18 1.68 1.01 0.14 -1.54 120.40 128.14 1ab5 s VAL 10 Ca -0.00 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1ab5 s VAL 10 Cb -0.16 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1ab5 s VAL 10 CO -0.09 0.18 -0.06 -0.69 0.00 0.00 0.00 175.10 174.44 1ab5 s VAL 11 N 1.85 3.48 -0.29 2.92 1.01 -0.19 -0.51 120.40 128.67 1ab5 s VAL 11 Ca 0.09 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 1ab5 s VAL 11 Cb -0.16 -2.54 0.17 0.00 0.00 0.00 0.00 36.38 33.84 1ab5 s VAL 11 CO 0.11 0.46 1.29 -0.62 0.00 0.00 0.00 175.10 176.34 1ab5 s ASP 12 N 0.90 -0.19 0.00 3.32 -1.08 -0.83 -1.71 116.67 117.08 1ab5 s ASP 12 Ca -0.01 0.37 0.30 0.00 -0.52 0.00 0.00 52.55 52.68 1ab5 s ASP 12 Cb -0.15 0.43 1.36 0.00 -1.46 0.00 0.00 42.92 43.11 1ab5 s ASP 12 CO 0.01 -0.06 1.99 -0.90 0.52 0.00 0.00 175.17 176.72 1ab5 n ASP 13 N 1.92 0.00 -4.53 -0.34 5.75 -1.21 -4.31 116.55 113.83 1ab5 n ASP 13 Ca -0.12 0.21 -0.42 0.00 -0.01 0.00 0.00 54.79 54.46 1ab5 n ASP 13 Cb 0.57 -0.40 -0.08 0.00 -1.03 0.00 0.00 41.12 40.17 1ab5 n ASP 13 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ab5 s ASN 14 N -2.81 6.29 0.34 -1.12 3.84 -1.26 -4.96 114.94 115.26 1ab5 s ASN 14 Ca 0.20 -0.23 0.02 0.00 0.21 0.00 0.00 52.86 53.06 1ab5 s ASN 14 Cb 0.20 -2.27 0.60 0.00 -0.55 0.00 0.00 41.25 39.23 1ab5 s ASN 14 CO 0.50 -0.56 1.98 -1.28 -2.79 0.00 0.00 177.10 174.95 1ab5 h SER 15 N 8.60 0.73 0.08 -4.21 0.87 -2.00 -1.93 113.55 115.70 1ab5 h SER 15 Ca -0.27 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1ab5 h SER 15 Cb 1.12 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1ab5 h SER 15 CO 0.80 0.56 -0.04 0.74 -0.53 0.00 0.00 176.83 178.36 1ab5 h THR 16 N 0.85 1.14 -0.36 2.23 2.02 -1.98 -2.52 112.91 114.29 1ab5 h THR 16 Ca 0.22 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 1ab5 h THR 16 Cb -0.04 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1ab5 h THR 16 CO -0.04 0.20 0.05 -0.03 0.37 0.00 0.00 175.52 176.07 1ab5 h MET 17 N -0.47 0.54 -0.36 6.66 -1.53 -1.96 0.07 114.93 117.88 1ab5 h MET 17 Ca -0.01 -0.10 -0.07 0.00 -3.44 0.00 0.00 59.70 56.08 1ab5 h MET 17 Cb 0.40 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.35 1ab5 h MET 17 CO 0.02 0.53 -0.07 0.00 0.14 0.00 0.00 176.91 177.52 1ab5 h ARG 18 N 0.53 0.61 -0.24 0.39 3.08 -1.34 -1.00 114.38 116.41 1ab5 h ARG 18 Ca 0.12 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1ab5 h ARG 18 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ab5 h ARG 18 CO 0.00 0.68 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.44 1ab5 h ARG 19 N 0.57 0.45 0.15 0.04 2.43 -0.71 0.64 114.38 117.95 1ab5 h ARG 19 Ca 0.11 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1ab5 h ARG 19 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1ab5 h ARG 19 CO 0.02 0.68 -0.07 0.82 -1.51 0.00 0.00 179.97 179.92 1ab5 h ILE 20 N 0.19 0.90 -0.44 1.20 2.04 -0.84 -1.85 117.51 118.72 1ab5 h ILE 20 Ca 0.06 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1ab5 h ILE 20 Cb 0.51 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1ab5 h ILE 20 CO 0.02 0.04 0.22 0.74 0.00 0.00 0.00 178.15 179.18 1ab5 h THR 21 N -0.28 0.96 -0.68 -0.27 2.02 -1.15 -0.09 112.91 113.42 1ab5 h THR 21 Ca -0.02 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.09 1ab5 h THR 21 Cb 0.22 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1ab5 h THR 21 CO 0.03 0.08 0.45 -0.09 0.37 0.00 0.00 175.52 176.36 1ab5 h ARG 22 N 0.44 0.60 -0.07 6.66 2.43 -0.73 -2.33 114.38 121.38 1ab5 h ARG 22 Ca 0.19 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 59.09 1ab5 h ARG 22 Cb 0.10 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1ab5 h ARG 22 CO -0.14 0.40 -0.88 -0.91 -1.51 0.00 0.00 179.97 176.93 1ab5 h ASN 23 N 0.62 0.80 -0.42 -3.80 2.35 -0.22 -2.08 115.58 112.83 1ab5 h ASN 23 Ca 0.30 -0.58 -0.06 0.00 -0.55 0.00 0.00 56.30 55.41 1ab5 h ASN 23 Cb 0.38 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1ab5 h ASN 23 CO -0.10 1.37 0.06 -0.07 -1.65 0.00 0.00 177.43 177.05 1ab5 h LEU 24 N 0.41 0.74 -0.35 1.61 4.07 -0.66 0.24 115.31 121.36 1ab5 h LEU 24 Ca -0.08 -0.15 -0.12 0.00 0.08 0.00 0.00 57.88 57.61 1ab5 h LEU 24 Cb 1.51 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.05 1ab5 h LEU 24 CO 0.17 0.76 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.98 1ab5 h LEU 25 N 0.74 0.82 -0.23 1.67 3.38 -1.45 -0.94 115.31 119.31 1ab5 h LEU 25 Ca 0.16 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1ab5 h LEU 25 Cb 0.36 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1ab5 h LEU 25 CO 0.01 1.08 0.00 0.50 0.09 0.00 0.00 178.44 180.12 1ab5 h LYS 26 N 0.57 0.07 -0.72 1.13 3.64 -0.84 0.02 116.57 120.44 1ab5 h LYS 26 Ca 0.07 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1ab5 h LYS 26 Cb 0.80 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1ab5 h LYS 26 CO 0.07 0.05 0.48 1.49 -2.27 0.00 0.00 179.45 179.26 1ab5 h GLU 27 N 0.07 0.90 0.00 1.90 4.81 -0.83 -0.14 114.58 121.30 1ab5 h GLU 27 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1ab5 h GLU 27 Cb 0.14 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1ab5 h GLU 27 CO -0.18 0.60 0.00 1.28 -0.73 0.00 0.00 179.01 179.98 1ab5 n LEU 28 N -4.44 0.00 0.00 1.64 4.32 -0.30 -4.87 117.00 113.34 1ab5 n LEU 28 Ca 0.08 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1ab5 n LEU 28 Cb 0.07 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1ab5 n LEU 28 CO 0.36 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1ab5 n GLY 29 N 0.64 0.87 3.09 -0.72 0.00 -0.06 -5.06 105.19 103.95 1ab5 n GLY 29 Ca 0.14 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ab5 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ab5 s PHE 30 N -2.00 3.46 -2.29 1.61 0.08 -0.16 -4.94 117.98 113.74 1ab5 s PHE 30 Ca 0.00 -2.40 0.19 0.00 0.12 0.00 0.00 56.93 54.84 1ab5 s PHE 30 Cb 0.00 -2.49 0.13 0.00 -0.57 0.00 0.00 43.02 40.08 1ab5 s PHE 30 CO 0.00 -0.89 1.08 0.09 -0.10 0.00 0.00 175.22 175.40 1ab5 n ASN 31 N 4.47 2.47 -3.90 1.36 4.13 -1.26 -3.04 115.26 119.49 1ab5 n ASN 31 Ca -0.07 -1.73 -0.43 0.00 1.68 0.00 0.00 54.58 54.03 1ab5 n ASN 31 Cb 0.42 0.08 0.01 0.00 -1.54 0.00 0.00 39.78 38.75 1ab5 n ASN 31 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1ab5 n ASN 32 N 0.89 5.64 -4.30 6.41 5.15 -1.26 -4.95 115.26 122.85 1ab5 n ASN 32 Ca 0.11 -3.23 -0.32 0.00 -0.60 0.00 0.00 54.58 50.54 1ab5 n ASN 32 Cb 0.47 -1.40 -0.16 0.00 -0.53 0.00 0.00 39.78 38.16 1ab5 n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ab5 s VAL 33 N -0.81 2.30 0.30 3.44 1.01 -1.26 -0.66 120.40 124.71 1ab5 s VAL 33 Ca 0.37 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.48 1ab5 s VAL 33 Cb 0.08 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 1ab5 s VAL 33 CO 0.04 0.57 -0.13 -1.61 0.00 0.00 0.00 175.10 173.96 1ab5 s GLU 34 N -0.09 1.67 0.08 2.72 0.41 0.39 -4.95 118.70 118.94 1ab5 s GLU 34 Ca -0.05 -1.82 0.02 0.00 -0.41 0.00 0.00 54.97 52.71 1ab5 s GLU 34 Cb -0.14 -1.59 -0.04 0.00 -1.78 0.00 0.00 34.13 30.59 1ab5 s GLU 34 CO 0.04 0.20 -0.07 -1.83 -0.49 0.00 0.00 175.26 173.12 1ab5 s GLU 35 N -3.59 0.75 0.09 1.61 -1.05 -1.26 -0.68 118.70 114.56 1ab5 s GLU 35 Ca 0.30 -1.18 0.02 0.00 -0.15 0.00 0.00 54.97 53.96 1ab5 s GLU 35 Cb -0.00 -0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.43 1ab5 s GLU 35 CO 0.14 -0.00 -0.07 0.00 0.95 0.00 0.00 175.26 176.28 1ab5 s ALA 36 N -3.02 0.92 -1.57 -0.84 0.00 0.33 -4.89 121.76 112.70 1ab5 s ALA 36 Ca 0.06 -1.26 0.18 0.00 0.00 0.00 0.00 51.96 50.93 1ab5 s ALA 36 Cb 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1ab5 s ALA 36 CO -0.03 -0.20 0.91 0.39 0.00 0.00 0.00 175.76 176.82 1ab5 n GLU 37 N 0.18 1.52 -3.78 0.00 1.02 -1.26 -1.97 120.64 116.36 1ab5 n GLU 37 Ca -0.14 -0.78 0.01 0.00 -0.02 0.00 0.00 57.16 56.23 1ab5 n GLU 37 Cb 0.60 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1ab5 n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1ab5 s ASP 38 N -2.13 -0.04 0.14 1.62 1.47 -1.26 -3.33 116.67 113.14 1ab5 s ASP 38 Ca 0.14 -0.26 -0.19 0.00 1.18 0.00 0.00 52.55 53.42 1ab5 s ASP 38 Cb 0.14 0.24 0.00 0.00 -0.34 0.00 0.00 42.92 42.96 1ab5 s ASP 38 CO 0.48 -0.45 1.71 1.23 0.68 0.00 0.00 175.17 178.81 1ab5 h GLY 39 N 2.00 0.21 0.37 2.12 0.00 -0.75 0.07 103.07 107.10 1ab5 h GLY 39 Ca -0.27 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1ab5 h GLY 39 CO 0.30 -0.07 -0.10 -2.08 0.00 0.00 0.00 176.54 174.59 1ab5 h VAL 40 N 0.04 0.65 -0.63 4.60 2.07 -1.87 0.11 116.25 121.22 1ab5 h VAL 40 Ca 0.12 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 1ab5 h VAL 40 Cb 0.17 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1ab5 h VAL 40 CO -0.23 0.00 0.15 -0.78 0.02 0.00 0.00 177.57 176.73 1ab5 h ASP 41 N -0.04 0.92 -0.19 0.57 3.58 -1.92 -1.41 116.42 117.93 1ab5 h ASP 41 Ca 0.14 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1ab5 h ASP 41 Cb 0.26 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1ab5 h ASP 41 CO -0.31 0.89 0.04 0.00 -2.88 0.00 0.00 179.24 176.97 1ab5 h ALA 42 N 1.22 0.25 -0.24 -0.78 0.00 -0.05 -2.98 119.26 116.69 1ab5 h ALA 42 Ca 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ab5 h ALA 42 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ab5 h ALA 42 CO 0.00 -0.09 -0.07 -0.07 0.00 0.00 0.00 179.25 179.03 1ab5 h LEU 43 N 0.11 0.35 -1.35 0.00 3.38 -0.63 0.74 115.31 117.91 1ab5 h LEU 43 Ca 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ab5 h LEU 43 Cb 0.30 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1ab5 h LEU 43 CO 0.00 0.47 0.40 -1.13 0.09 0.00 0.00 178.44 178.27 1ab5 h ASN 44 N 0.36 0.74 0.18 -0.43 -0.00 -1.12 -1.89 115.58 113.42 1ab5 h ASN 44 Ca 0.08 -0.03 -0.34 0.00 -0.00 0.00 0.00 56.30 56.01 1ab5 h ASN 44 Cb 0.35 -0.18 0.01 0.00 -0.00 0.00 0.00 38.32 38.50 1ab5 h ASN 44 CO 0.02 0.55 -1.66 0.11 -0.00 0.00 0.00 177.43 176.44 1ab5 h LYS 45 N 0.86 0.38 -0.79 6.67 1.57 -1.19 -3.34 116.57 120.73 1ab5 h LYS 45 Ca 0.23 -0.65 0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1ab5 h LYS 45 Cb -0.08 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1ab5 h LYS 45 CO -0.05 1.31 0.52 -0.07 -0.57 0.00 0.00 179.45 180.59 1ab5 h LEU 46 N 0.03 0.77 -2.06 2.94 3.38 -0.76 -0.63 115.31 118.98 1ab5 h LEU 46 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1ab5 h LEU 46 Cb 2.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.63 1ab5 h LEU 46 CO 0.17 0.50 -0.06 1.56 0.09 0.00 0.00 178.44 180.69 1ab5 h GLN 47 N 0.87 0.00 0.00 1.13 4.20 -1.47 0.11 115.11 119.96 1ab5 h GLN 47 Ca 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 1ab5 h GLN 47 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1ab5 h GLN 47 CO -0.12 0.06 -0.09 0.00 -0.67 0.00 0.00 178.83 178.02 1ab5 h ALA 48 N 1.94 1.12 0.00 3.87 0.00 -1.23 -3.49 119.26 121.47 1ab5 h ALA 48 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ab5 h ALA 48 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ab5 h ALA 48 CO 0.01 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1ab5 n GLY 49 N -0.43 -1.60 0.00 0.00 0.00 0.38 -5.02 105.19 98.52 1ab5 n GLY 49 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1ab5 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ab5 n GLY 50 N -1.86 0.24 3.87 -0.02 0.00 -1.26 -4.91 105.19 101.24 1ab5 n GLY 50 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ab5 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ab5 s TYR 51 N -2.00 3.53 -0.06 1.61 1.51 -1.26 -4.66 117.35 116.01 1ab5 s TYR 51 Ca 0.00 0.83 0.06 0.00 -1.01 0.00 0.00 57.07 56.95 1ab5 s TYR 51 Cb 0.00 -2.20 -0.09 0.00 -0.11 0.00 0.00 41.96 39.56 1ab5 s TYR 51 CO 0.00 0.42 0.16 0.41 -1.11 0.00 0.00 175.55 175.43 1ab5 n GLY 52 N 0.46 -0.14 3.25 0.71 0.00 0.48 -4.94 105.19 105.01 1ab5 n GLY 52 Ca -0.04 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1ab5 n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ab5 s PHE 53 N -2.26 -0.37 -0.07 1.61 2.19 -1.06 -4.25 117.98 113.76 1ab5 s PHE 53 Ca -0.01 0.88 0.04 0.00 0.33 0.00 0.00 56.93 58.17 1ab5 s PHE 53 Cb 0.04 0.13 -0.00 0.00 -1.31 0.00 0.00 43.02 41.88 1ab5 s PHE 53 CO 0.26 -0.22 -0.21 0.08 1.83 0.00 0.00 175.22 176.96 1ab5 s VAL 54 N 0.00 1.79 -0.18 3.12 1.01 -0.33 -1.95 120.40 123.85 1ab5 s VAL 54 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1ab5 s VAL 54 Cb -0.03 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.84 1ab5 s VAL 54 CO 0.01 0.50 -0.12 -0.63 0.00 0.00 0.00 175.10 174.86 1ab5 s ILE 55 N 0.21 1.66 0.06 2.22 1.01 -0.59 0.29 121.20 126.06 1ab5 s ILE 55 Ca -0.12 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1ab5 s ILE 55 Cb -0.15 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1ab5 s ILE 55 CO 0.06 0.30 -0.13 -0.94 0.00 0.00 0.00 174.94 174.23 1ab5 s SER 56 N 1.42 1.50 0.81 3.58 1.04 -0.18 -1.02 113.70 120.84 1ab5 s SER 56 Ca 0.01 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 1ab5 s SER 56 Cb -0.15 -0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.00 1ab5 s SER 56 CO -0.09 -0.07 1.11 -0.62 0.98 0.00 0.00 173.24 174.55 1ab5 s ASP 57 N -1.54 4.42 -0.17 7.02 2.15 -0.69 -0.25 116.67 127.62 1ab5 s ASP 57 Ca -0.03 1.15 -0.22 0.00 0.43 0.00 0.00 52.55 53.89 1ab5 s ASP 57 Cb -0.09 -1.84 -0.23 0.00 -0.30 0.00 0.00 42.92 40.46 1ab5 s ASP 57 CO 0.02 -2.00 0.42 -0.25 -0.17 0.00 0.00 175.17 173.19 1ab5 h TRP 58 N -1.11 0.10 -3.76 -5.34 2.91 -1.73 -3.29 115.95 103.72 1ab5 h TRP 58 Ca -0.47 -0.07 -0.66 0.00 1.13 0.00 0.00 58.89 58.82 1ab5 h TRP 58 Cb 1.29 -0.00 -0.17 0.00 -0.51 0.00 0.00 29.16 29.76 1ab5 h TRP 58 CO 0.42 1.39 -0.42 1.21 -1.03 0.00 0.00 178.44 180.01 1ab5 s ASN 59 N -6.74 6.10 0.08 2.65 2.47 -1.26 -1.21 114.94 117.03 1ab5 s ASN 59 Ca -0.24 -0.15 -0.16 0.00 0.42 0.00 0.00 52.86 52.73 1ab5 s ASN 59 Cb 0.03 -2.15 0.03 0.00 -1.45 0.00 0.00 41.25 37.71 1ab5 s ASN 59 CO 0.66 -0.19 0.36 -0.04 -3.72 0.00 0.00 177.10 174.17 1ab5 s MET 60 N 1.85 0.94 0.55 0.43 -1.94 -1.26 -4.74 119.30 115.13 1ab5 s MET 60 Ca 0.09 -0.56 -0.06 0.00 -1.71 0.00 0.00 55.69 53.45 1ab5 s MET 60 Cb -0.17 0.41 -0.01 0.00 2.01 0.00 0.00 34.83 37.08 1ab5 s MET 60 CO 0.11 -0.33 0.86 -1.25 -0.01 0.00 0.00 175.02 174.40 1ab5 s PRO 61 N -3.07 3.15 0.00 2.03 0.04 -1.26 -3.70 135.00 132.19 1ab5 s PRO 61 Ca -0.01 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1ab5 s PRO 61 Cb 0.01 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ab5 s PRO 61 CO -0.07 -0.52 0.00 0.09 0.04 0.00 0.00 177.00 176.54 1ab5 n ASN 62 N -2.47 0.00 -3.65 6.66 3.02 -1.26 -4.40 115.26 113.16 1ab5 n ASN 62 Ca 0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.35 1ab5 n ASN 62 Cb 0.57 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.56 1ab5 n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1ab5 s MET 63 N 0.00 0.06 0.60 3.52 1.75 -1.26 -4.92 119.30 119.05 1ab5 s MET 63 Ca 0.00 0.09 -0.10 0.00 -1.25 0.00 0.00 55.69 54.43 1ab5 s MET 63 Cb 0.00 -1.29 0.14 0.00 2.84 0.00 0.00 34.83 36.52 1ab5 s MET 63 CO 0.00 -0.52 0.65 -0.40 -0.65 0.00 0.00 175.02 174.10 1ab5 n ASP 64 N 5.27 -0.83 -0.13 1.11 5.68 -1.24 -0.15 116.55 126.27 1ab5 n ASP 64 Ca -0.06 -1.04 -0.11 0.00 -0.50 0.00 0.00 54.79 53.08 1ab5 n ASP 64 Cb 0.49 -0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 39.91 1ab5 n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ab5 h GLY 65 N -1.35 0.72 1.15 6.12 0.00 -1.23 -1.50 103.07 106.98 1ab5 h GLY 65 Ca -0.23 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.47 1ab5 h GLY 65 CO 0.15 0.49 0.00 -2.00 0.00 0.00 0.00 176.54 175.19 1ab5 h LEU 66 N 0.48 0.99 -0.60 3.11 5.85 -1.85 -1.14 115.31 122.14 1ab5 h LEU 66 Ca 0.10 -0.27 -0.15 0.00 0.84 0.00 0.00 57.88 58.40 1ab5 h LEU 66 Cb 0.49 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1ab5 h LEU 66 CO 0.02 1.04 -0.64 -0.33 -0.34 0.00 0.00 178.44 178.19 1ab5 h GLU 67 N 0.93 0.22 -0.03 1.25 4.39 -1.92 -1.89 114.58 117.53 1ab5 h GLU 67 Ca 0.17 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1ab5 h GLU 67 Cb 0.54 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1ab5 h GLU 67 CO 0.03 0.79 -0.25 1.25 -1.16 0.00 0.00 179.01 179.67 1ab5 h LEU 68 N 0.16 0.05 0.01 1.33 5.85 -0.94 -1.72 115.31 120.05 1ab5 h LEU 68 Ca -0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ab5 h LEU 68 Cb 1.16 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1ab5 h LEU 68 CO 0.10 0.30 -0.01 0.25 -0.34 0.00 0.00 178.44 178.75 1ab5 h LEU 69 N 0.04 -0.01 -1.14 2.25 5.85 -0.79 -2.43 115.31 119.07 1ab5 h LEU 69 Ca 0.01 -0.72 0.05 0.00 0.84 0.00 0.00 57.88 58.05 1ab5 h LEU 69 Cb 0.47 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1ab5 h LEU 69 CO 0.03 0.73 0.59 0.11 -0.34 0.00 0.00 178.44 179.56 1ab5 h LYS 70 N -0.77 1.05 -0.08 1.25 1.57 -1.26 0.11 116.57 118.44 1ab5 h LYS 70 Ca -0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1ab5 h LYS 70 Cb 0.74 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ab5 h LYS 70 CO 0.00 0.70 -0.05 1.15 -0.57 0.00 0.00 179.45 180.68 1ab5 h THR 71 N 1.08 1.33 -0.41 -0.16 2.02 -1.40 -0.60 112.91 114.77 1ab5 h THR 71 Ca 0.37 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.48 1ab5 h THR 71 Cb 0.09 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1ab5 h THR 71 CO -0.12 0.30 0.22 0.40 0.37 0.00 0.00 175.52 176.69 1ab5 h ILE 72 N -0.21 1.00 -0.28 3.11 2.04 -1.09 -2.31 117.51 119.77 1ab5 h ILE 72 Ca 0.02 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1ab5 h ILE 72 Cb 0.51 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1ab5 h ILE 72 CO 0.01 0.08 0.00 0.03 0.00 0.00 0.00 178.15 178.28 1ab5 h ARG 73 N 0.45 0.42 -0.00 2.37 2.47 -0.74 -2.64 114.38 116.71 1ab5 h ARG 73 Ca 0.17 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1ab5 h ARG 73 Cb 0.05 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1ab5 h ARG 73 CO -0.10 0.45 -0.07 0.00 0.56 0.00 0.00 179.97 180.81 1ab5 n ALA 74 N -2.48 2.63 -3.17 0.04 0.00 -0.24 -4.56 120.51 112.73 1ab5 n ALA 74 Ca 0.01 -0.20 -0.44 0.00 0.00 0.00 0.00 53.44 52.81 1ab5 n ALA 74 Cb 0.22 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 1ab5 n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ab5 s ASP 75 N -2.57 6.04 0.38 0.00 -1.08 -0.95 -4.97 116.67 113.51 1ab5 s ASP 75 Ca 0.27 -1.59 0.28 0.00 -0.52 0.00 0.00 52.55 50.99 1ab5 s ASP 75 Cb 0.20 -2.15 1.28 0.00 -1.46 0.00 0.00 42.92 40.79 1ab5 s ASP 75 CO 0.48 -0.72 1.34 0.61 0.52 0.00 0.00 175.17 177.41 1ab5 n GLY 76 N 5.15 -0.72 0.14 2.66 0.00 -1.26 0.66 105.19 111.82 1ab5 n GLY 76 Ca -0.12 0.66 0.02 0.00 0.00 0.00 0.00 46.02 46.57 1ab5 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab5 h ALA 77 N 1.38 0.73 -0.01 4.61 0.00 -1.93 -3.28 119.26 120.76 1ab5 h ALA 77 Ca 0.76 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ab5 h ALA 77 Cb 2.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.13 1ab5 h ALA 77 CO -0.41 0.68 -0.17 -1.33 0.00 0.00 0.00 179.25 178.02 1ab5 n MET 78 N -3.36 1.51 -0.29 0.00 2.81 0.21 -4.67 117.12 113.33 1ab5 n MET 78 Ca 0.01 -1.05 0.14 0.00 -1.81 0.00 0.00 57.70 54.98 1ab5 n MET 78 Cb 0.69 -1.26 0.39 0.00 -0.71 0.00 0.00 33.22 32.33 1ab5 n MET 78 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1ab5 h SER 79 N 2.26 0.64 0.19 7.83 0.02 -0.80 -2.50 113.55 121.19 1ab5 h SER 79 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1ab5 h SER 79 Cb 0.57 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1ab5 h SER 79 CO 0.00 0.29 -0.00 0.00 -1.14 0.00 0.00 176.83 175.98 1ab5 n ALA 80 N -2.42 2.62 -2.15 3.77 0.00 -1.26 -4.82 120.51 116.25 1ab5 n ALA 80 Ca 0.19 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1ab5 n ALA 80 Cb 0.54 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1ab5 n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab5 s LEU 81 N -2.19 4.33 0.14 0.00 1.43 -0.94 -4.97 118.68 116.48 1ab5 s LEU 81 Ca 0.41 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.43 1ab5 s LEU 81 Cb 0.21 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.79 1ab5 s LEU 81 CO 0.40 -0.75 1.28 -2.84 0.23 0.00 0.00 176.35 174.68 1ab5 s PRO 82 N 2.31 4.40 -0.21 1.29 0.02 -1.26 -4.92 135.00 136.64 1ab5 s PRO 82 Ca 0.66 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.66 1ab5 s PRO 82 Cb -0.34 -3.25 0.04 0.00 0.02 0.00 0.00 34.50 30.97 1ab5 s PRO 82 CO 0.28 -0.27 -0.15 0.08 -0.33 0.00 0.00 177.00 176.61 1ab5 s VAL 83 N 0.57 2.00 -0.26 3.83 1.01 -1.26 -1.19 120.40 125.10 1ab5 s VAL 83 Ca 0.59 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1ab5 s VAL 83 Cb -0.34 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1ab5 s VAL 83 CO 0.34 0.30 0.19 -0.22 0.00 0.00 0.00 175.10 175.70 1ab5 s LEU 84 N 1.26 4.06 -0.18 3.92 2.96 0.15 -1.35 118.68 129.49 1ab5 s LEU 84 Ca -0.00 0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.82 1ab5 s LEU 84 Cb -0.16 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1ab5 s LEU 84 CO -0.10 -0.01 0.31 -0.04 -1.32 0.00 0.00 176.35 175.19 1ab5 s MET 85 N 1.50 4.22 -0.30 1.98 -1.94 -0.07 -1.01 119.30 123.67 1ab5 s MET 85 Ca 0.08 0.09 -0.10 0.00 -1.71 0.00 0.00 55.69 54.05 1ab5 s MET 85 Cb -0.15 -3.47 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1ab5 s MET 85 CO 0.08 0.14 0.16 0.08 -0.01 0.00 0.00 175.02 175.48 1ab5 s VAL 86 N 0.76 4.88 0.27 -6.03 1.01 0.66 -1.21 120.40 120.73 1ab5 s VAL 86 Ca 0.16 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.08 1ab5 s VAL 86 Cb -0.13 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1ab5 s VAL 86 CO 0.05 0.16 -0.05 0.42 0.00 0.00 0.00 175.10 175.68 1ab5 s THR 87 N 1.68 3.24 -0.19 3.92 -4.23 -0.54 -1.88 115.64 117.64 1ab5 s THR 87 Ca 0.06 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1ab5 s THR 87 Cb -0.16 -2.73 -0.21 0.00 1.34 0.00 0.00 72.50 70.73 1ab5 s THR 87 CO 0.08 -0.38 0.06 0.00 -0.54 0.00 0.00 174.62 173.84 1ab5 n ALA 88 N -0.84 1.29 -1.16 3.99 0.00 -1.26 0.06 120.51 122.59 1ab5 n ALA 88 Ca -0.06 -0.96 -0.32 0.00 0.00 0.00 0.00 53.44 52.10 1ab5 n ALA 88 Cb 0.59 -0.34 0.11 0.00 0.00 0.00 0.00 19.45 19.81 1ab5 n ALA 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ab5 s GLU 89 N -2.53 1.98 0.00 0.00 4.04 -1.26 -4.62 118.70 116.31 1ab5 s GLU 89 Ca -0.25 1.40 0.00 0.00 0.04 0.00 0.00 54.97 56.16 1ab5 s GLU 89 Cb 0.08 -1.85 0.00 0.00 0.02 0.00 0.00 34.13 32.38 1ab5 s GLU 89 CO 0.70 -1.88 0.03 0.00 -1.84 0.00 0.00 175.26 172.27 1ab5 n ALA 90 N -3.41 -0.01 -2.87 -0.84 0.00 -1.26 -4.79 120.51 107.33 1ab5 n ALA 90 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1ab5 n ALA 90 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 1ab5 n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ab5 n LYS 91 N -1.30 1.04 0.00 0.00 4.81 -1.26 -4.93 118.16 116.52 1ab5 n LYS 91 Ca 0.00 -2.53 0.00 0.00 -0.87 0.00 0.00 58.31 54.91 1ab5 n LYS 91 Cb 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 33.90 1ab5 n LYS 91 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ab5 n LYS 92 N 0.17 3.05 0.00 1.64 5.02 -1.26 -4.93 118.16 121.85 1ab5 n LYS 92 Ca 0.12 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.48 1ab5 n LYS 92 Cb 0.72 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 36.13 1ab5 n LYS 92 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ab5 n GLU 93 N 0.00 0.35 0.01 1.97 0.00 -1.26 -3.18 120.64 118.53 1ab5 n GLU 93 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 57.16 57.10 1ab5 n GLU 93 Cb 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.84 1ab5 n GLU 93 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1ab5 h ASN 94 N 0.00 -0.06 -0.59 -1.84 -0.26 -1.99 -2.43 115.58 108.40 1ab5 h ASN 94 Ca 0.00 -0.47 0.17 0.00 -0.56 0.00 0.00 56.30 55.44 1ab5 h ASN 94 Cb 0.05 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1ab5 h ASN 94 CO 0.00 0.46 0.45 0.40 -1.06 0.00 0.00 177.43 177.68 1ab5 h ILE 95 N -0.60 0.63 -0.04 2.81 2.04 -1.91 0.46 117.51 120.90 1ab5 h ILE 95 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1ab5 h ILE 95 Cb 0.53 0.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1ab5 h ILE 95 CO 0.01 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.21 1ab5 h ILE 96 N 0.00 1.46 -0.31 -0.67 5.03 -1.71 -1.59 117.51 119.71 1ab5 h ILE 96 Ca 0.28 -1.85 0.06 0.00 -0.12 0.00 0.00 64.86 63.22 1ab5 h ILE 96 Cb 1.18 2.50 -0.05 0.00 -3.03 0.00 0.00 36.82 37.42 1ab5 h ILE 96 CO -0.00 0.53 -0.02 0.00 -0.68 0.00 0.00 178.15 177.98 1ab5 h ALA 97 N 0.36 0.26 -0.57 1.87 0.00 0.28 0.20 119.26 121.66 1ab5 h ALA 97 Ca -0.03 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ab5 h ALA 97 Cb 1.05 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1ab5 h ALA 97 CO 0.07 -0.42 0.23 0.00 0.00 0.00 0.00 179.25 179.13 1ab5 h ALA 98 N 1.28 0.74 -0.15 0.00 0.00 -0.83 0.79 119.26 121.10 1ab5 h ALA 98 Ca 0.15 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ab5 h ALA 98 Cb 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1ab5 h ALA 98 CO -0.27 0.35 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 1ab5 h ALA 99 N 1.08 -0.03 -0.51 0.00 0.00 -0.20 0.23 119.26 119.83 1ab5 h ALA 99 Ca 0.19 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1ab5 h ALA 99 Cb 0.19 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ab5 h ALA 99 CO -0.02 -0.58 0.04 1.96 0.00 0.00 0.00 179.25 180.66 1ab5 h GLN 100 N -0.15 0.88 0.00 0.00 4.20 -0.44 -2.39 115.11 117.21 1ab5 h GLN 100 Ca 0.10 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1ab5 h GLN 100 Cb 0.30 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1ab5 h GLN 100 CO -0.24 0.89 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 1ab5 h ALA 101 N 0.96 1.00 0.00 3.87 0.00 -0.44 -3.46 119.26 121.19 1ab5 h ALA 101 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ab5 h ALA 101 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ab5 h ALA 101 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1ab5 n GLY 102 N -0.62 1.67 3.76 0.00 0.00 0.03 -4.64 105.19 105.39 1ab5 n GLY 102 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1ab5 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab5 s ALA 103 N -2.00 2.49 -0.51 4.61 0.00 0.61 -4.86 121.76 122.10 1ab5 s ALA 103 Ca 0.00 0.75 0.24 0.00 0.00 0.00 0.00 51.96 52.94 1ab5 s ALA 103 Cb 0.00 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.96 1ab5 s ALA 103 CO 0.00 -1.21 1.22 0.77 0.00 0.00 0.00 175.76 176.54 1ab5 h SER 104 N 0.43 0.00 0.00 0.00 0.02 -1.55 -3.46 113.55 108.99 1ab5 h SER 104 Ca -0.48 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1ab5 h SER 104 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1ab5 h SER 104 CO 0.54 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 1ab5 n GLY 105 N 1.28 1.61 3.28 -3.77 0.00 -1.24 -4.84 105.19 101.53 1ab5 n GLY 105 Ca 0.02 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1ab5 n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ab5 s TYR 106 N -2.00 1.40 -0.24 1.61 1.13 -1.26 -0.90 117.35 117.09 1ab5 s TYR 106 Ca 0.00 -1.09 -0.11 0.00 -1.41 0.00 0.00 57.07 54.45 1ab5 s TYR 106 Cb 0.00 -0.81 0.09 0.00 -1.10 0.00 0.00 41.96 40.14 1ab5 s TYR 106 CO 0.00 -0.26 0.56 0.54 -2.51 0.00 0.00 175.55 173.87 1ab5 s VAL 107 N -3.69 -0.30 0.23 -3.49 0.11 -0.35 -4.89 120.40 108.01 1ab5 s VAL 107 Ca 0.31 0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 59.15 1ab5 s VAL 107 Cb 0.07 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 1ab5 s VAL 107 CO 0.09 0.02 0.86 -0.69 -3.33 0.00 0.00 175.10 172.05 1ab5 s VAL 108 N 1.97 4.26 0.13 2.04 1.01 -1.26 -1.46 120.40 127.09 1ab5 s VAL 108 Ca -0.08 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.74 1ab5 s VAL 108 Cb -0.08 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1ab5 s VAL 108 CO -0.17 0.41 0.25 -1.59 0.00 0.00 0.00 175.10 174.01 1ab5 s LYS 109 N -1.42 3.38 0.62 2.72 -2.85 0.11 -4.08 119.74 118.22 1ab5 s LYS 109 Ca 0.41 -0.60 -0.11 0.00 -1.00 0.00 0.00 55.97 54.67 1ab5 s LYS 109 Cb -0.23 -2.94 -0.04 0.00 -2.06 0.00 0.00 37.83 32.56 1ab5 s LYS 109 CO 0.27 0.53 1.03 -1.25 0.10 0.00 0.00 175.35 176.04 1ab5 s PRO 110 N -3.08 3.56 0.14 1.78 0.04 -1.26 -4.73 135.00 131.45 1ab5 s PRO 110 Ca 0.34 0.74 0.04 0.00 0.04 0.00 0.00 61.00 62.17 1ab5 s PRO 110 Cb -0.11 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1ab5 s PRO 110 CO 0.28 -0.60 -0.10 -0.59 0.04 0.00 0.00 177.00 176.03 1ab5 s PHE 111 N -3.18 1.22 0.18 0.56 -0.12 -1.26 -5.16 117.98 110.22 1ab5 s PHE 111 Ca 0.55 -0.75 0.01 0.00 -0.05 0.00 0.00 56.93 56.69 1ab5 s PHE 111 Cb -0.11 -0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 1ab5 s PHE 111 CO 0.54 0.06 0.34 0.95 -0.05 0.00 0.00 175.22 177.06 1ab5 s THR 112 N -3.22 5.27 0.63 -4.49 -4.23 -1.26 -4.95 115.64 103.39 1ab5 s THR 112 Ca 0.15 -0.58 0.31 0.00 -1.18 0.00 0.00 61.69 60.39 1ab5 s THR 112 Cb 0.02 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.45 1ab5 s THR 112 CO 0.00 -0.16 2.01 0.00 -0.54 0.00 0.00 174.62 175.93 1ab5 h ALA 113 N 1.96 1.61 -0.04 3.99 0.00 -1.99 -0.33 119.26 124.46 1ab5 h ALA 113 Ca -0.49 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 1ab5 h ALA 113 Cb 1.20 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ab5 h ALA 113 CO 0.67 -0.38 -0.86 0.00 0.00 0.00 0.00 179.25 178.69 1ab5 h ALA 114 N 1.54 0.16 -0.24 0.00 0.00 -1.96 0.54 119.26 119.29 1ab5 h ALA 114 Ca 0.07 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1ab5 h ALA 114 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ab5 h ALA 114 CO -0.00 0.59 -0.13 1.15 0.00 0.00 0.00 179.25 180.87 1ab5 h THR 115 N 0.31 1.30 0.41 0.00 2.02 -1.50 -1.90 112.91 113.54 1ab5 h THR 115 Ca -0.10 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 1ab5 h THR 115 Cb 1.52 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1ab5 h THR 115 CO 0.17 0.38 -0.27 0.25 0.37 0.00 0.00 175.52 176.42 1ab5 h LEU 116 N 0.23 -0.68 -1.41 2.58 5.85 -1.23 -1.23 115.31 119.42 1ab5 h LEU 116 Ca 0.05 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1ab5 h LEU 116 Cb 0.63 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1ab5 h LEU 116 CO 0.04 -0.42 0.51 -0.08 -0.34 0.00 0.00 178.44 178.14 1ab5 h GLU 117 N -0.66 0.63 -0.33 1.25 4.81 -0.89 0.60 114.58 120.00 1ab5 h GLU 117 Ca -0.04 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1ab5 h GLU 117 Cb 0.55 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ab5 h GLU 117 CO 0.03 0.42 -0.04 1.49 -0.73 0.00 0.00 179.01 180.18 1ab5 h GLU 118 N 0.65 0.61 -0.32 1.92 4.81 -0.81 -1.59 114.58 119.85 1ab5 h GLU 118 Ca 0.36 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1ab5 h GLU 118 Cb 0.53 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ab5 h GLU 118 CO -0.13 0.76 0.09 0.87 -0.73 0.00 0.00 179.01 179.86 1ab5 h LYS 119 N 0.40 0.50 -0.58 1.92 1.79 -0.25 -1.16 116.57 119.19 1ab5 h LYS 119 Ca 0.09 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.50 1ab5 h LYS 119 Cb 0.51 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 1ab5 h LYS 119 CO 0.02 0.56 0.29 -0.07 -1.08 0.00 0.00 179.45 179.17 1ab5 h LEU 120 N 0.35 0.42 -1.10 2.94 3.38 -0.86 -1.70 115.31 118.73 1ab5 h LEU 120 Ca 0.10 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1ab5 h LEU 120 Cb 0.27 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ab5 h LEU 120 CO -0.00 0.28 -0.41 0.78 0.09 0.00 0.00 178.44 179.18 1ab5 h ASN 121 N 0.55 0.09 -0.32 -0.43 2.35 -1.03 0.31 115.58 117.10 1ab5 h ASN 121 Ca 0.26 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 1ab5 h ASN 121 Cb 0.18 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1ab5 h ASN 121 CO -0.18 0.49 -0.09 0.11 -1.65 0.00 0.00 177.43 176.11 1ab5 h LYS 122 N 0.07 0.63 -0.01 0.81 1.57 -0.60 0.03 116.57 119.07 1ab5 h LYS 122 Ca 0.00 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1ab5 h LYS 122 Cb 0.76 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1ab5 h LYS 122 CO 0.06 0.82 -0.00 0.82 -0.57 0.00 0.00 179.45 180.57 1ab5 h ILE 123 N 0.41 1.26 -0.91 1.86 2.04 -1.03 -2.06 117.51 119.08 1ab5 h ILE 123 Ca 0.08 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.29 1ab5 h ILE 123 Cb 0.59 1.76 -0.07 0.00 -0.74 0.00 0.00 36.82 38.36 1ab5 h ILE 123 CO 0.03 0.20 0.58 -0.26 0.00 0.00 0.00 178.15 178.71 1ab5 h PHE 124 N -0.30 0.93 -0.63 1.37 0.04 -0.37 -1.26 116.94 116.72 1ab5 h PHE 124 Ca 0.00 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1ab5 h PHE 124 Cb 0.33 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1ab5 h PHE 124 CO 0.04 0.38 0.17 1.49 -0.60 0.00 0.00 178.31 179.79 1ab5 h GLU 125 N 0.82 1.00 -0.23 1.51 4.81 -0.69 0.27 114.58 122.08 1ab5 h GLU 125 Ca 0.44 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 1ab5 h GLU 125 Cb 0.55 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1ab5 h GLU 125 CO -0.20 0.90 -0.52 0.87 -0.73 0.00 0.00 179.01 179.32 1ab5 h LYS 126 N 0.92 0.66 0.00 1.92 1.57 -0.56 -3.18 116.57 117.91 1ab5 h LYS 126 Ca 0.20 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1ab5 h LYS 126 Cb 0.33 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ab5 h LYS 126 CO -0.00 1.02 -0.47 -0.07 -0.57 0.00 0.00 179.45 179.36 1ab5 h LEU 127 N 0.51 0.00 -1.85 2.94 3.38 -1.17 -3.49 115.31 115.64 1ab5 h LEU 127 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ab5 h LEU 127 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ab5 h LEU 127 CO 0.10 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1ab5 n GLY 128 N 1.22 0.50 0.70 0.83 0.00 0.86 -5.09 105.19 104.22 1ab5 n GLY 128 Ca 0.03 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1ab5 n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35