#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ir1 s VAL 3 N 0.00 5.27 0.08 -0.18 1.01 -1.26 -5.05 120.40 120.27 1ir1 s VAL 3 Ca 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 61.98 62.11 1ir1 s VAL 3 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1ir1 s VAL 3 CO 0.00 0.28 1.68 0.86 0.00 0.00 0.00 175.10 177.92 1ir1 s TRP 4 N 1.34 2.37 0.77 5.22 -0.11 -1.26 -4.95 118.94 122.33 1ir1 s TRP 4 Ca 0.13 0.27 -0.15 0.00 1.22 0.00 0.00 56.10 57.57 1ir1 s TRP 4 Cb -0.14 -4.00 0.03 0.00 -1.50 0.00 0.00 33.47 27.86 1ir1 s TRP 4 CO 0.07 -4.02 0.98 -2.30 -4.62 0.00 0.00 176.95 167.06 1ir1 n PRO 5 N 5.63 0.31 -0.01 5.86 -0.02 -1.26 -4.98 135.00 140.53 1ir1 n PRO 5 Ca 0.16 0.17 0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1ir1 n PRO 5 Cb 0.40 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1ir1 n PRO 5 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ir1 n THR 6 N -2.88 0.09 -3.31 3.45 -2.24 -1.26 -4.93 114.28 103.20 1ir1 n THR 6 Ca 0.13 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 1ir1 n THR 6 Cb 0.50 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 1ir1 n THR 6 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ir1 s GLN 7 N -2.21 4.16 -1.49 -0.78 -0.21 -1.26 -4.33 119.66 113.55 1ir1 s GLN 7 Ca -0.02 0.68 -0.01 0.00 0.02 0.00 0.00 55.36 56.03 1ir1 s GLN 7 Cb 0.02 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.80 1ir1 s GLN 7 CO 0.16 0.62 0.28 0.09 -2.12 0.00 0.00 175.29 174.32 1ir1 n ASN 8 N 1.83 -0.01 -0.90 5.90 4.13 -1.26 -4.88 115.26 120.07 1ir1 n ASN 8 Ca -0.11 -1.12 -0.00 0.00 1.68 0.00 0.00 54.58 55.04 1ir1 n ASN 8 Cb 0.51 -2.46 0.18 0.00 -1.54 0.00 0.00 39.78 36.48 1ir1 n ASN 8 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1ir1 n MET 9 N -4.46 1.88 -1.82 3.52 2.81 -1.26 -5.05 117.12 112.73 1ir1 n MET 9 Ca -0.29 -3.39 -0.40 0.00 -1.81 0.00 0.00 57.70 51.82 1ir1 n MET 9 Cb 0.68 -1.75 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 1ir1 n MET 9 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ir1 s LYS 10 N -3.29 3.79 0.35 0.03 -0.14 -1.26 -5.02 119.74 114.20 1ir1 s LYS 10 Ca 0.41 2.42 0.09 0.00 -1.36 0.00 0.00 55.97 57.53 1ir1 s LYS 10 Cb 0.38 -2.72 -0.06 0.00 -1.68 0.00 0.00 37.83 33.75 1ir1 s LYS 10 CO -0.04 -0.74 -0.00 1.03 -0.76 0.00 0.00 175.35 174.84 1ir1 s ARG 11 N -2.37 2.02 -0.26 1.68 1.81 -1.26 -5.08 118.95 115.49 1ir1 s ARG 11 Ca 0.59 -1.82 0.14 0.00 -1.72 0.00 0.00 55.73 52.92 1ir1 s ARG 11 Cb -0.44 -1.86 0.47 0.00 -0.45 0.00 0.00 34.95 32.68 1ir1 s ARG 11 CO 0.57 0.11 1.16 0.66 -0.68 0.00 0.00 175.30 177.12 1ir1 n TYR 12 N -0.94 1.87 -4.65 -0.53 4.01 -1.26 -5.11 117.16 110.55 1ir1 n TYR 12 Ca -0.04 -2.05 0.00 0.00 -0.16 0.00 0.00 57.90 55.65 1ir1 n TYR 12 Cb 0.63 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1ir1 n TYR 12 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ir1 n GLU 13 N -0.64 0.00 -1.68 -0.72 -0.58 -1.26 -4.53 120.64 111.23 1ir1 n GLU 13 Ca 0.27 0.00 -0.56 0.00 -0.42 0.00 0.00 57.16 56.44 1ir1 n GLU 13 Cb 0.90 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.70 1ir1 n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1ir1 n THR 14 N 0.00 0.21 -0.18 2.62 -1.04 -1.26 -1.68 114.28 112.96 1ir1 n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1ir1 n THR 14 Cb 0.00 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1ir1 n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ir1 n LEU 15 N 4.51 0.00 0.00 -4.42 4.77 -1.26 -4.61 117.00 115.98 1ir1 n LEU 15 Ca 0.24 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1ir1 n LEU 15 Cb 0.14 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.72 1ir1 n LEU 15 CO 0.76 0.00 0.77 -1.54 -1.33 0.00 0.00 177.39 176.05 1ir1 n SER 16 N 0.00 0.00 -0.74 -1.43 3.41 -0.67 -2.40 113.62 111.79 1ir1 n SER 16 Ca 0.00 -0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.57 1ir1 n SER 16 Cb 0.00 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1ir1 n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ir1 n TYR 17 N -1.21 0.00 -3.09 7.33 4.02 -1.26 -4.81 117.16 118.15 1ir1 n TYR 17 Ca 0.10 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.78 1ir1 n TYR 17 Cb 0.12 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1ir1 n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ir1 s LEU 18 N -2.02 3.69 0.89 7.72 1.43 -1.01 -5.07 118.68 124.32 1ir1 s LEU 18 Ca 0.23 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 1ir1 s LEU 18 Cb 0.18 -2.95 0.13 0.00 0.03 0.00 0.00 46.19 43.58 1ir1 s LEU 18 CO 0.36 -0.69 1.14 -2.84 0.23 0.00 0.00 176.35 174.55 1ir1 s PRO 19 N -4.45 1.20 0.28 1.29 0.02 -1.26 -4.86 135.00 127.22 1ir1 s PRO 19 Ca 0.49 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.73 1ir1 s PRO 19 Cb -0.10 -1.75 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 1ir1 s PRO 19 CO 0.35 -2.49 1.18 -2.30 -0.33 0.00 0.00 177.00 173.41 1ir1 n PRO 20 N -4.12 1.67 -2.12 5.54 -0.02 -1.26 -4.88 135.00 129.81 1ir1 n PRO 20 Ca 0.12 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1ir1 n PRO 20 Cb 0.52 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1ir1 n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ir1 s LEU 21 N -0.00 4.40 0.92 2.45 1.43 -1.26 -5.02 118.68 121.59 1ir1 s LEU 21 Ca 0.61 2.50 -0.14 0.00 -1.03 0.00 0.00 54.13 56.07 1ir1 s LEU 21 Cb -0.67 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.09 1ir1 s LEU 21 CO 0.58 -0.62 1.23 0.42 0.23 0.00 0.00 176.35 178.19 1ir1 s THR 22 N 0.26 1.97 0.24 5.49 -4.23 -1.26 -4.79 115.64 113.32 1ir1 s THR 22 Ca 0.59 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.05 1ir1 s THR 22 Cb -0.39 -2.93 0.18 0.00 1.34 0.00 0.00 72.50 70.70 1ir1 s THR 22 CO 0.39 0.00 1.83 0.71 -0.54 0.00 0.00 174.62 177.00 1ir1 h THR 23 N -1.47 1.25 -0.55 3.99 1.35 -1.99 -1.13 112.91 114.36 1ir1 h THR 23 Ca -0.46 -0.74 -0.10 0.00 -0.55 0.00 0.00 66.41 64.57 1ir1 h THR 23 Cb 1.29 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1ir1 h THR 23 CO 0.51 0.31 -0.05 0.44 -0.25 0.00 0.00 175.52 176.48 1ir1 h ASP 24 N 1.13 0.97 -0.30 5.36 3.32 -1.99 -1.61 116.42 123.30 1ir1 h ASP 24 Ca 0.27 -0.29 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1ir1 h ASP 24 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1ir1 h ASP 24 CO -0.03 1.06 -0.11 1.56 -1.72 0.00 0.00 179.24 179.99 1ir1 h GLN 25 N 0.89 0.71 -0.24 3.56 4.20 -1.82 -0.61 115.11 121.81 1ir1 h GLN 25 Ca 0.15 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1ir1 h GLN 25 Cb 0.59 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1ir1 h GLN 25 CO 0.04 0.81 0.00 1.25 -0.67 0.00 0.00 178.83 180.25 1ir1 h LEU 26 N 0.65 0.41 -1.29 1.46 5.85 -1.02 -2.77 115.31 118.61 1ir1 h LEU 26 Ca 0.11 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1ir1 h LEU 26 Cb 0.57 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ir1 h LEU 26 CO 0.04 0.62 0.34 0.00 -0.34 0.00 0.00 178.44 179.10 1ir1 h ALA 27 N 0.81 1.46 -0.32 1.25 0.00 -1.01 -2.28 119.26 119.18 1ir1 h ALA 27 Ca 0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ir1 h ALA 27 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ir1 h ALA 27 CO 0.01 0.45 -0.15 0.00 0.00 0.00 0.00 179.25 179.56 1ir1 h ARG 28 N 0.84 0.56 -0.36 0.00 2.47 -0.96 -1.28 114.38 115.66 1ir1 h ARG 28 Ca 0.22 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 1ir1 h ARG 28 Cb 0.00 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1ir1 h ARG 28 CO -0.04 0.69 -0.21 1.96 0.56 0.00 0.00 179.97 182.93 1ir1 h GLN 29 N 0.51 0.69 -0.26 0.04 1.08 -1.14 -1.22 115.11 114.81 1ir1 h GLN 29 Ca 0.09 -0.27 -0.16 0.00 -1.45 0.00 0.00 58.65 56.87 1ir1 h GLN 29 Cb 0.56 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1ir1 h GLN 29 CO 0.04 0.85 -0.47 0.28 -0.95 0.00 0.00 178.83 178.58 1ir1 h VAL 30 N 0.61 1.30 -0.55 -0.54 2.07 -1.16 -1.95 116.25 116.02 1ir1 h VAL 30 Ca 0.09 -1.66 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 1ir1 h VAL 30 Cb 0.69 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1ir1 h VAL 30 CO 0.05 0.53 0.05 0.44 0.02 0.00 0.00 177.57 178.66 1ir1 h ASP 31 N 0.55 0.87 -0.51 0.57 3.32 -0.99 -1.04 116.42 119.19 1ir1 h ASP 31 Ca 0.03 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 1ir1 h ASP 31 Cb 1.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1ir1 h ASP 31 CO 0.10 0.90 0.22 0.22 -1.72 0.00 0.00 179.24 178.96 1ir1 h TYR 32 N 0.85 0.76 -0.03 4.55 3.20 -1.05 0.22 116.97 125.48 1ir1 h TYR 32 Ca 0.17 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1ir1 h TYR 32 Cb 0.44 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1ir1 h TYR 32 CO 0.03 0.62 0.02 1.25 -1.64 0.00 0.00 178.16 178.43 1ir1 h LEU 33 N 0.68 0.03 -0.75 2.82 6.46 -0.98 -2.76 115.31 120.82 1ir1 h LEU 33 Ca 0.17 -0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.75 1ir1 h LEU 33 Cb 0.17 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1ir1 h LEU 33 CO -0.02 0.07 -0.48 -0.07 -0.62 0.00 0.00 178.44 177.33 1ir1 h LEU 34 N -0.01 0.39 -1.59 2.25 3.38 -0.99 -2.45 115.31 116.28 1ir1 h LEU 34 Ca 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1ir1 h LEU 34 Cb 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ir1 h LEU 34 CO -0.00 0.80 -0.11 0.78 0.09 0.00 0.00 178.44 180.00 1ir1 h ASN 35 N 0.29 0.00 -0.43 -0.43 2.35 -0.47 -1.63 115.58 115.25 1ir1 h ASN 35 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ir1 h ASN 35 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1ir1 h ASN 35 CO 0.08 0.11 0.00 0.59 -1.65 0.00 0.00 177.43 176.56 1ir1 n ASN 36 N -3.34 2.37 -2.33 5.81 3.02 -1.05 -4.92 115.26 114.82 1ir1 n ASN 36 Ca -0.01 -1.98 -0.20 0.00 -0.03 0.00 0.00 54.58 52.36 1ir1 n ASN 36 Cb 0.31 -0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1ir1 n ASN 36 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ir1 n LYS 37 N 0.79 -2.10 -2.93 3.52 4.76 -0.61 -5.00 118.16 116.58 1ir1 n LYS 37 Ca 0.15 0.93 -0.28 0.00 -2.87 0.00 0.00 58.31 56.24 1ir1 n LYS 37 Cb 0.38 -5.53 -0.02 0.00 -1.84 0.00 0.00 35.03 28.02 1ir1 n LYS 37 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1ir1 s TRP 38 N -3.00 3.52 -0.28 2.13 0.51 -0.94 -4.91 118.94 115.97 1ir1 s TRP 38 Ca 0.05 0.76 -0.15 0.00 -2.12 0.00 0.00 56.10 54.64 1ir1 s TRP 38 Cb -0.02 -2.24 -0.03 0.00 -0.81 0.00 0.00 33.47 30.37 1ir1 s TRP 38 CO 0.06 -0.09 0.40 0.08 -0.51 0.00 0.00 176.95 176.89 1ir1 s VAL 39 N -2.47 5.15 0.44 4.03 1.01 -0.02 -4.56 120.40 124.00 1ir1 s VAL 39 Ca 0.46 0.58 -0.21 0.00 0.00 0.00 0.00 61.98 62.81 1ir1 s VAL 39 Cb -0.10 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 1ir1 s VAL 39 CO 0.38 0.12 1.00 -2.16 0.00 0.00 0.00 175.10 174.43 1ir1 s PRO 40 N 2.11 4.06 -0.14 2.72 0.04 -1.26 -0.39 135.00 142.16 1ir1 s PRO 40 Ca 0.16 1.27 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 1ir1 s PRO 40 Cb -0.16 -2.21 0.06 0.00 0.04 0.00 0.00 34.50 32.24 1ir1 s PRO 40 CO 0.10 -0.19 0.62 0.00 0.04 0.00 0.00 177.00 177.57 1ir1 s LEU 42 N -0.49 3.23 0.03 0.00 1.02 -1.26 -1.04 118.68 120.16 1ir1 s LEU 42 Ca -0.06 -0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.00 1ir1 s LEU 42 Cb -0.03 -1.85 -0.02 0.00 0.02 0.00 0.00 46.19 44.32 1ir1 s LEU 42 CO 0.05 0.28 -0.10 -1.61 0.02 0.00 0.00 176.35 174.99 1ir1 s GLU 43 N -1.44 0.71 0.07 1.70 2.02 -0.83 -1.12 118.70 119.82 1ir1 s GLU 43 Ca 0.17 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1ir1 s GLU 43 Cb -0.11 -0.64 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 1ir1 s GLU 43 CO 0.08 0.16 -0.06 -0.59 0.02 0.00 0.00 175.26 174.86 1ir1 s PHE 44 N -0.81 0.74 -0.13 1.61 -0.71 0.12 -1.50 117.98 117.31 1ir1 s PHE 44 Ca -0.01 -0.83 -0.10 0.00 -1.04 0.00 0.00 56.93 54.95 1ir1 s PHE 44 Cb -0.07 -0.45 0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1ir1 s PHE 44 CO 0.01 -0.18 0.33 -2.00 -1.34 0.00 0.00 175.22 172.04 1ir1 s GLU 45 N -3.20 0.37 -0.07 1.99 2.56 -0.90 -0.97 118.70 118.48 1ir1 s GLU 45 Ca 0.04 0.52 0.06 0.00 0.00 0.00 0.00 54.97 55.59 1ir1 s GLU 45 Cb 0.01 0.12 -0.08 0.00 2.00 0.00 0.00 34.13 36.18 1ir1 s GLU 45 CO -0.04 -0.08 0.02 0.25 -0.56 0.00 0.00 175.26 174.85 1ir1 n THR 46 N 3.27 0.45 -0.08 -1.70 -2.24 -1.26 -1.23 114.28 111.50 1ir1 n THR 46 Ca -0.16 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1ir1 n THR 46 Cb 0.57 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 1ir1 n THR 46 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ir1 n ASP 47 N -2.26 1.84 -4.08 3.42 8.00 -1.26 -4.82 116.55 117.38 1ir1 n ASP 47 Ca -0.11 0.55 -0.35 0.00 0.71 0.00 0.00 54.79 55.59 1ir1 n ASP 47 Cb 0.71 -0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 40.83 1ir1 n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1ir1 s HIS 48 N -2.35 3.48 -1.27 1.24 3.76 -1.26 -4.91 115.29 113.98 1ir1 s HIS 48 Ca -0.20 -2.67 0.25 0.00 -0.15 0.00 0.00 55.06 52.30 1ir1 s HIS 48 Cb 0.04 -3.15 1.20 0.00 1.11 0.00 0.00 32.58 31.77 1ir1 s HIS 48 CO 0.33 -0.89 1.83 0.41 -0.85 0.00 0.00 174.74 175.57 1ir1 n GLY 49 N 3.93 -1.21 3.10 -2.22 0.00 -1.26 -4.79 105.19 102.74 1ir1 n GLY 49 Ca 0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1ir1 n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ir1 s PHE 50 N -2.73 0.84 0.57 1.61 0.08 -1.26 -5.12 117.98 111.97 1ir1 s PHE 50 Ca 0.19 -0.50 -0.21 0.00 0.12 0.00 0.00 56.93 56.53 1ir1 s PHE 50 Cb 0.17 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 1ir1 s PHE 50 CO 0.41 -0.04 1.33 0.08 -0.10 0.00 0.00 175.22 176.90 1ir1 s VAL 51 N -1.44 2.11 0.34 -0.44 1.01 -1.26 -4.80 120.40 115.92 1ir1 s VAL 51 Ca -0.07 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1ir1 s VAL 51 Cb -0.09 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1ir1 s VAL 51 CO 0.01 -0.00 0.54 0.00 0.00 0.00 0.00 175.10 175.64 1ir1 n TYR 52 N -1.23 -1.65 -3.61 5.22 4.11 -0.72 -5.00 117.16 114.29 1ir1 n TYR 52 Ca 0.12 -2.07 -0.29 0.00 -0.00 0.00 0.00 57.90 55.66 1ir1 n TYR 52 Cb 0.46 0.62 -0.15 0.00 -0.00 0.00 0.00 39.34 40.27 1ir1 n TYR 52 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1ir1 s ARG 53 N -2.55 0.36 -0.09 -3.48 0.52 -1.26 -0.07 118.95 112.38 1ir1 s ARG 53 Ca 0.24 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1ir1 s ARG 53 Cb -0.02 -1.46 -0.05 0.00 0.52 0.00 0.00 34.95 33.95 1ir1 s ARG 53 CO 0.17 -0.99 -0.10 -1.91 0.02 0.00 0.00 175.30 172.49 1ir1 n GLU 54 N 5.12 0.20 0.06 3.54 2.13 -1.26 -4.80 120.64 125.64 1ir1 n GLU 54 Ca -0.05 0.07 0.12 0.00 0.66 0.00 0.00 57.16 57.96 1ir1 n GLU 54 Cb 0.42 -0.97 0.11 0.00 0.27 0.00 0.00 31.44 31.27 1ir1 n GLU 54 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ir1 h HIS 55 N -0.18 0.00 -2.44 4.31 3.86 -2.00 -3.48 115.15 115.22 1ir1 h HIS 55 Ca -0.21 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.07 1ir1 h HIS 55 Cb 1.24 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.56 1ir1 h HIS 55 CO -0.01 0.00 0.42 -1.58 0.86 0.00 0.00 177.93 177.62 1ir1 s HIS 56 N -3.21 -0.40 -0.01 2.45 2.46 -1.26 -5.06 115.29 110.25 1ir1 s HIS 56 Ca 0.04 0.26 0.08 0.00 0.47 0.00 0.00 55.06 55.92 1ir1 s HIS 56 Cb 0.13 0.54 0.14 0.00 -0.13 0.00 0.00 32.58 33.26 1ir1 s HIS 56 CO 0.75 -0.62 1.06 0.27 -2.47 0.00 0.00 174.74 173.73 1ir1 n ASN 57 N -0.24 0.45 -4.88 9.88 6.94 -1.26 -4.80 115.26 121.35 1ir1 n ASN 57 Ca -0.11 -2.12 -0.30 0.00 -0.02 0.00 0.00 54.58 52.02 1ir1 n ASN 57 Cb 0.62 -0.25 0.03 0.00 -2.36 0.00 0.00 39.78 37.83 1ir1 n ASN 57 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1ir1 s SER 58 N -1.43 5.69 0.15 0.53 1.04 -1.26 -4.95 113.70 113.46 1ir1 s SER 58 Ca 0.12 1.24 -0.34 0.00 0.48 0.00 0.00 55.95 57.44 1ir1 s SER 58 Cb 0.13 -2.12 -0.15 0.00 0.10 0.00 0.00 66.02 63.97 1ir1 s SER 58 CO -0.04 -1.20 1.42 -2.65 0.98 0.00 0.00 173.24 171.75 1ir1 n PRO 59 N -2.93 1.66 -0.92 4.02 -0.02 -1.26 -1.94 135.00 133.62 1ir1 n PRO 59 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1ir1 n PRO 59 Cb 0.56 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1ir1 n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ir1 n GLY 60 N 2.74 1.16 3.65 -1.23 0.00 -1.26 -5.01 105.19 105.23 1ir1 n GLY 60 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1ir1 n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ir1 s TYR 61 N -3.91 3.29 -0.08 1.61 6.14 -0.82 -5.07 117.35 118.52 1ir1 s TYR 61 Ca 0.00 0.13 -0.11 0.00 0.64 0.00 0.00 57.07 57.73 1ir1 s TYR 61 Cb 0.00 -2.16 0.02 0.00 0.42 0.00 0.00 41.96 40.24 1ir1 s TYR 61 CO 0.00 0.12 0.28 0.71 0.64 0.00 0.00 175.55 177.30 1ir1 s TYR 62 N 0.67 -0.25 0.38 4.97 2.02 -1.26 -4.70 117.35 119.16 1ir1 s TYR 62 Ca 0.06 0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1ir1 s TYR 62 Cb -0.13 0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.49 1ir1 s TYR 62 CO 0.01 -0.22 0.60 -0.51 -1.57 0.00 0.00 175.55 173.86 1ir1 s ASP 63 N -0.33 6.27 0.00 2.29 1.01 0.90 -4.41 116.67 122.40 1ir1 s ASP 63 Ca -0.04 0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.74 1ir1 s ASP 63 Cb -0.03 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1ir1 s ASP 63 CO 0.01 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.64 1ir1 n GLY 64 N -1.89 0.75 0.15 0.21 0.00 -1.26 -1.75 105.19 101.40 1ir1 n GLY 64 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1ir1 n GLY 64 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ir1 h ARG 65 N 3.43 0.52 -6.52 1.61 3.08 -1.94 -3.41 114.38 111.15 1ir1 h ARG 65 Ca 0.00 -0.89 -0.53 0.00 0.07 0.00 0.00 59.98 58.64 1ir1 h ARG 65 Cb 0.00 0.33 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1ir1 h ARG 65 CO 0.00 1.42 0.41 0.71 -1.07 0.00 0.00 179.97 181.44 1ir1 s TYR 66 N -2.58 3.68 0.54 3.04 2.02 -1.26 -5.05 117.35 117.74 1ir1 s TYR 66 Ca -0.10 1.67 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 1ir1 s TYR 66 Cb 0.04 -3.16 0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1ir1 s TYR 66 CO 0.93 -0.19 0.14 -1.58 -1.57 0.00 0.00 175.55 173.28 1ir1 s TRP 67 N 0.40 1.67 0.00 2.71 0.52 -1.26 -5.08 118.94 117.91 1ir1 s TRP 67 Ca 0.50 -0.96 -0.16 0.00 0.02 0.00 0.00 56.10 55.51 1ir1 s TRP 67 Cb -0.24 -1.69 -0.06 0.00 -1.15 0.00 0.00 33.47 30.33 1ir1 s TRP 67 CO 0.30 -0.05 0.44 0.99 0.02 0.00 0.00 176.95 178.64 1ir1 s THR 68 N -2.87 5.00 0.06 2.01 2.01 -0.14 -4.88 115.64 116.83 1ir1 s THR 68 Ca 0.12 0.90 -0.30 0.00 0.31 0.00 0.00 61.69 62.72 1ir1 s THR 68 Cb -0.01 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1ir1 s THR 68 CO 0.07 0.56 0.98 -0.32 -0.69 0.00 0.00 174.62 175.22 1ir1 s MET 69 N -0.95 4.63 -0.44 4.92 1.75 -1.26 -0.70 119.30 127.25 1ir1 s MET 69 Ca 0.25 1.45 -0.21 0.00 -1.25 0.00 0.00 55.69 55.93 1ir1 s MET 69 Cb -0.17 -3.41 0.02 0.00 2.84 0.00 0.00 34.83 34.11 1ir1 s MET 69 CO 0.14 0.08 0.67 -0.46 -0.65 0.00 0.00 175.02 174.80 1ir1 s TRP 70 N 0.46 3.05 0.00 4.11 -0.11 -0.27 -4.90 118.94 121.29 1ir1 s TRP 70 Ca 0.50 0.01 0.00 0.00 1.22 0.00 0.00 56.10 57.82 1ir1 s TRP 70 Cb -0.23 -3.40 0.00 0.00 -1.50 0.00 0.00 33.47 28.34 1ir1 s TRP 70 CO 0.29 -0.88 0.00 1.63 -4.62 0.00 0.00 176.95 173.37 1ir1 n LYS 71 N 6.34 0.00 -4.28 5.86 5.02 -1.26 -4.55 118.16 125.29 1ir1 n LYS 71 Ca -0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.13 1ir1 n LYS 71 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1ir1 n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ir1 s LEU 72 N 0.00 2.08 0.52 -0.35 1.43 -1.26 -5.09 118.68 116.00 1ir1 s LEU 72 Ca 0.00 -1.22 -0.23 0.00 -1.03 0.00 0.00 54.13 51.66 1ir1 s LEU 72 Cb 0.00 -0.12 -0.06 0.00 0.03 0.00 0.00 46.19 46.04 1ir1 s LEU 72 CO 0.00 -0.57 1.38 -2.84 0.23 0.00 0.00 176.35 174.55 1ir1 s PRO 73 N -3.91 3.31 -1.33 1.29 0.02 -1.26 -4.84 135.00 128.28 1ir1 s PRO 73 Ca 0.27 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.47 1ir1 s PRO 73 Cb 0.06 -2.38 0.13 0.00 0.02 0.00 0.00 34.50 32.33 1ir1 s PRO 73 CO 0.07 -1.07 1.98 -1.33 -0.33 0.00 0.00 177.00 176.32 1ir1 n MET 74 N -0.77 3.40 -1.71 5.54 2.81 -0.19 -4.98 117.12 121.22 1ir1 n MET 74 Ca 0.09 -3.26 -0.43 0.00 -1.81 0.00 0.00 57.70 52.29 1ir1 n MET 74 Cb 0.44 -3.03 -0.02 0.00 -0.71 0.00 0.00 33.22 29.89 1ir1 n MET 74 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1ir1 n PHE 75 N 4.52 2.57 -1.02 2.03 3.72 -1.26 -2.02 117.46 126.00 1ir1 n PHE 75 Ca 0.43 0.26 -0.01 0.00 -0.05 0.00 0.00 57.45 58.09 1ir1 n PHE 75 Cb 0.37 -2.57 -0.00 0.00 -0.94 0.00 0.00 39.48 36.34 1ir1 n PHE 75 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ir1 n GLY 76 N 2.68 0.44 3.74 1.37 0.00 -1.26 -5.01 105.19 107.16 1ir1 n GLY 76 Ca 0.12 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ir1 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ir1 n THR 78 N 2.04 0.00 -3.94 0.00 -2.24 -1.26 -5.00 114.28 103.88 1ir1 n THR 78 Ca 0.01 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 1ir1 n THR 78 Cb 0.46 1.79 -0.14 0.00 -2.10 0.00 0.00 70.33 70.34 1ir1 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ir1 s ASP 79 N -0.00 4.62 0.61 3.42 2.15 -1.26 -4.98 116.67 121.23 1ir1 s ASP 79 Ca 0.00 -1.10 0.30 0.00 0.43 0.00 0.00 52.55 52.18 1ir1 s ASP 79 Cb 0.00 -1.68 1.69 0.00 -0.30 0.00 0.00 42.92 42.62 1ir1 s ASP 79 CO 0.00 -0.20 2.06 1.55 -0.17 0.00 0.00 175.17 178.42 1ir1 h PRO 80 N 7.99 0.00 -0.52 4.34 0.13 -1.95 -0.54 132.00 141.45 1ir1 h PRO 80 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 1ir1 h PRO 80 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1ir1 h PRO 80 CO 0.55 0.00 0.16 0.00 -0.23 0.00 0.00 178.00 178.48 1ir1 h ALA 81 N 1.67 1.32 -0.76 -0.56 0.00 -1.99 -2.27 119.26 116.66 1ir1 h ALA 81 Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ir1 h ALA 81 Cb 0.59 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1ir1 h ALA 81 CO -0.00 0.49 0.45 1.96 0.00 0.00 0.00 179.25 182.16 1ir1 h GLN 82 N 0.75 1.04 0.36 0.00 4.20 -1.52 -1.59 115.11 118.35 1ir1 h GLN 82 Ca 0.17 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1ir1 h GLN 82 Cb 0.22 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1ir1 h GLN 82 CO -0.01 0.74 -0.17 0.28 -0.67 0.00 0.00 178.83 179.00 1ir1 h VAL 83 N 1.05 0.63 0.00 -0.54 2.07 -1.51 -2.59 116.25 115.35 1ir1 h VAL 83 Ca 0.27 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1ir1 h VAL 83 Cb -0.02 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1ir1 h VAL 83 CO -0.05 0.09 -0.05 -0.07 0.02 0.00 0.00 177.57 177.51 1ir1 h LEU 84 N -0.76 0.00 -0.30 2.57 3.38 -1.41 -1.37 115.31 117.42 1ir1 h LEU 84 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1ir1 h LEU 84 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ir1 h LEU 84 CO 0.08 0.05 -0.37 0.78 0.09 0.00 0.00 178.44 179.07 1ir1 h ASN 85 N 0.00 0.84 -0.10 -0.43 2.35 -1.20 -2.03 115.58 115.02 1ir1 h ASN 85 Ca -0.00 -0.49 -0.08 0.00 -0.55 0.00 0.00 56.30 55.18 1ir1 h ASN 85 Cb 0.12 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1ir1 h ASN 85 CO 0.01 1.16 -0.18 -0.33 -1.65 0.00 0.00 177.43 176.45 1ir1 h GLU 86 N 0.54 0.49 -0.28 0.81 4.39 -0.89 -1.66 114.58 117.98 1ir1 h GLU 86 Ca 0.04 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.60 1ir1 h GLU 86 Cb 0.95 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1ir1 h GLU 86 CO 0.09 0.65 0.15 1.25 -1.16 0.00 0.00 179.01 179.98 1ir1 h LEU 87 N 0.44 0.23 -1.07 1.33 5.85 -1.07 0.21 115.31 121.24 1ir1 h LEU 87 Ca 0.08 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1ir1 h LEU 87 Cb 0.56 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1ir1 h LEU 87 CO 0.04 0.17 0.10 -0.33 -0.34 0.00 0.00 178.44 178.08 1ir1 h GLU 88 N 0.31 0.76 -0.18 1.25 4.39 -0.99 -0.40 114.58 119.71 1ir1 h GLU 88 Ca 0.11 -0.16 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 1ir1 h GLU 88 Cb 0.02 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1ir1 h GLU 88 CO -0.06 0.70 -0.50 1.49 -1.16 0.00 0.00 179.01 179.48 1ir1 h GLU 89 N 0.73 0.50 -0.31 2.33 4.81 -0.71 -2.18 114.58 119.74 1ir1 h GLU 89 Ca 0.16 -0.29 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1ir1 h GLU 89 Cb 0.31 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1ir1 h GLU 89 CO 0.00 0.88 -0.23 0.00 -0.73 0.00 0.00 179.01 178.94 1ir1 h LYS 91 N 0.46 0.85 -0.16 0.00 1.57 -1.01 0.13 116.57 118.42 1ir1 h LYS 91 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ir1 h LYS 91 Cb 0.78 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1ir1 h LYS 91 CO 0.06 0.56 0.05 0.87 -0.57 0.00 0.00 179.45 180.42 1ir1 h LYS 92 N 0.88 0.26 -0.00 3.15 1.57 -1.24 -1.96 116.57 119.22 1ir1 h LYS 92 Ca 0.24 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1ir1 h LYS 92 Cb -0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1ir1 h LYS 92 CO -0.05 0.38 -0.76 1.49 -0.57 0.00 0.00 179.45 179.93 1ir1 h GLU 93 N 0.08 0.01 -2.09 3.15 4.81 -1.19 -3.38 114.58 115.97 1ir1 h GLU 93 Ca 0.05 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.70 1ir1 h GLU 93 Cb 0.24 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.21 1ir1 h GLU 93 CO -0.00 0.77 -0.88 0.66 -0.73 0.00 0.00 179.01 178.82 1ir1 n TYR 94 N -3.63 1.48 0.60 0.92 4.01 0.43 -4.91 117.16 116.06 1ir1 n TYR 94 Ca -0.01 -3.83 0.08 0.00 -0.16 0.00 0.00 57.90 53.97 1ir1 n TYR 94 Cb 0.74 -0.44 0.36 0.00 -0.31 0.00 0.00 39.34 39.68 1ir1 n TYR 94 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ir1 n PRO 95 N 1.07 0.06 -0.17 -0.72 -0.04 -0.74 -2.32 135.00 132.13 1ir1 n PRO 95 Ca 0.25 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 1ir1 n PRO 95 Cb 0.48 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.63 1ir1 n PRO 95 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ir1 n ASN 96 N -1.45 3.30 -4.76 3.54 6.94 -1.26 -4.62 115.26 116.95 1ir1 n ASN 96 Ca 0.05 -1.95 -0.22 0.00 -0.02 0.00 0.00 54.58 52.43 1ir1 n ASN 96 Cb 0.17 -0.22 -0.05 0.00 -2.36 0.00 0.00 39.78 37.32 1ir1 n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ir1 s ALA 97 N -1.42 3.53 0.04 -2.53 0.00 -0.98 -4.77 121.76 115.63 1ir1 s ALA 97 Ca 0.35 -1.68 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 1ir1 s ALA 97 Cb 0.21 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 1ir1 s ALA 97 CO 0.29 0.11 0.53 -0.06 0.00 0.00 0.00 175.76 176.64 1ir1 s PHE 98 N -2.33 3.77 -0.07 0.00 0.40 -0.36 -3.83 117.98 115.56 1ir1 s PHE 98 Ca 0.36 1.19 0.02 0.00 -0.60 0.00 0.00 56.93 57.90 1ir1 s PHE 98 Cb -0.05 -2.47 0.01 0.00 0.51 0.00 0.00 43.02 41.03 1ir1 s PHE 98 CO 0.23 0.56 -0.12 0.42 0.70 0.00 0.00 175.22 177.01 1ir1 s ILE 99 N -0.93 1.12 0.15 0.64 1.01 -0.36 -2.13 121.20 120.71 1ir1 s ILE 99 Ca 0.28 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.56 1ir1 s ILE 99 Cb -0.19 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1ir1 s ILE 99 CO 0.17 0.36 -0.19 0.00 0.00 0.00 0.00 174.94 175.28 1ir1 s ARG 100 N 0.80 1.26 -0.14 2.79 1.70 -0.56 -0.33 118.95 124.47 1ir1 s ARG 100 Ca -0.12 -1.36 -0.02 0.00 -0.47 0.00 0.00 55.73 53.75 1ir1 s ARG 100 Cb -0.15 -1.38 -0.02 0.00 -0.57 0.00 0.00 34.95 32.82 1ir1 s ARG 100 CO 0.02 0.29 -0.06 0.42 -1.08 0.00 0.00 175.30 174.89 1ir1 s ILE 101 N -1.83 3.65 0.17 4.99 1.01 -0.34 -1.96 121.20 126.90 1ir1 s ILE 101 Ca 0.14 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1ir1 s ILE 101 Cb -0.07 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1ir1 s ILE 101 CO 0.06 0.51 -0.16 0.27 0.00 0.00 0.00 174.94 175.63 1ir1 s ILE 102 N 0.26 1.68 -0.08 2.92 -4.36 -0.21 -2.03 121.20 119.38 1ir1 s ILE 102 Ca -0.05 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1ir1 s ILE 102 Cb -0.14 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.71 1ir1 s ILE 102 CO 0.04 -0.47 -0.11 -0.83 0.24 0.00 0.00 174.94 173.81 1ir1 s GLY 103 N -2.92 0.82 -0.08 6.27 0.00 -0.63 -1.30 107.32 109.49 1ir1 s GLY 103 Ca 0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 44.72 44.28 1ir1 s GLY 103 CO 0.06 0.35 0.34 -1.36 0.00 0.00 0.00 173.10 172.49 1ir1 s PHE 104 N 1.02 3.61 -0.40 1.90 0.08 0.48 -1.25 117.98 123.42 1ir1 s PHE 104 Ca -0.08 0.80 -0.09 0.00 0.12 0.00 0.00 56.93 57.68 1ir1 s PHE 104 Cb -0.15 -2.28 0.07 0.00 -0.57 0.00 0.00 43.02 40.10 1ir1 s PHE 104 CO -0.01 0.50 0.23 0.34 -0.10 0.00 0.00 175.22 176.18 1ir1 s ASP 105 N -0.46 5.59 0.49 1.36 -1.08 -0.62 -0.84 116.67 121.12 1ir1 s ASP 105 Ca 0.21 -1.41 0.27 0.00 -0.52 0.00 0.00 52.55 51.09 1ir1 s ASP 105 Cb -0.15 -1.97 1.25 0.00 -1.46 0.00 0.00 42.92 40.59 1ir1 s ASP 105 CO 0.09 -0.49 1.97 0.77 0.52 0.00 0.00 175.17 178.02 1ir1 h SER 106 N 8.37 0.00 -0.10 -0.34 4.64 -1.91 0.55 113.55 124.77 1ir1 h SER 106 Ca -0.23 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.93 1ir1 h SER 106 Cb 1.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1ir1 h SER 106 CO 0.72 0.15 -0.55 0.78 -0.87 0.00 0.00 176.83 177.07 1ir1 h ASN 107 N 0.00 0.65 0.81 4.97 2.35 -1.97 -3.28 115.58 119.12 1ir1 h ASN 107 Ca -0.00 -0.65 -0.02 0.00 -0.55 0.00 0.00 56.30 55.08 1ir1 h ASN 107 Cb 0.52 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1ir1 h ASN 107 CO 0.02 1.20 -1.20 0.54 -1.65 0.00 0.00 177.43 176.34 1ir1 n ARG 108 N -4.19 0.62 -3.38 0.81 1.74 -1.20 -4.99 116.66 106.06 1ir1 n ARG 108 Ca -0.08 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1ir1 n ARG 108 Cb 0.63 -1.78 0.08 0.00 -1.02 0.00 0.00 32.46 30.37 1ir1 n ARG 108 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ir1 n GLN 109 N -2.63 -5.11 -4.04 5.56 7.27 0.19 -5.03 117.38 113.59 1ir1 n GLN 109 Ca -0.02 0.85 -0.12 0.00 0.07 0.00 0.00 57.00 57.78 1ir1 n GLN 109 Cb 0.58 -5.83 -0.12 0.00 2.41 0.00 0.00 30.24 27.28 1ir1 n GLN 109 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1ir1 s VAL 110 N -3.38 0.35 -0.40 1.69 -7.23 -1.10 -4.97 120.40 105.35 1ir1 s VAL 110 Ca 0.15 -0.75 -0.27 0.00 -1.81 0.00 0.00 61.98 59.31 1ir1 s VAL 110 Cb -0.02 -0.40 0.02 0.00 0.56 0.00 0.00 36.38 36.54 1ir1 s VAL 110 CO 0.74 -0.27 1.00 -1.10 -0.31 0.00 0.00 175.10 175.15 1ir1 s GLN 111 N -1.09 3.79 0.00 4.82 -0.21 -1.26 -1.58 119.66 124.13 1ir1 s GLN 111 Ca -0.08 0.57 0.26 0.00 0.02 0.00 0.00 55.36 56.12 1ir1 s GLN 111 Cb -0.07 -3.84 0.60 0.00 1.00 0.00 0.00 33.01 30.70 1ir1 s GLN 111 CO -0.00 -1.09 1.48 0.00 -2.12 0.00 0.00 175.29 173.56 1ir1 s VAL 113 N -3.00 0.08 -0.30 0.00 1.01 -1.22 -4.96 120.40 112.01 1ir1 s VAL 113 Ca 0.11 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1ir1 s VAL 113 Cb 0.18 -0.14 0.18 0.00 0.00 0.00 0.00 36.38 36.59 1ir1 s VAL 113 CO 0.68 -0.19 1.06 -0.55 0.00 0.00 0.00 175.10 176.10 1ir1 s SER 114 N -0.60 -0.45 0.01 3.32 0.15 -1.25 -1.60 113.70 113.29 1ir1 s SER 114 Ca -0.06 0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 1ir1 s SER 114 Cb -0.04 1.46 0.04 0.00 -1.71 0.00 0.00 66.02 65.77 1ir1 s SER 114 CO -0.00 -0.09 0.45 0.72 1.20 0.00 0.00 173.24 175.52 1ir1 s PHE 115 N 2.56 -0.33 -0.07 3.44 -0.71 -0.86 -4.46 117.98 117.55 1ir1 s PHE 115 Ca -0.01 0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 56.01 1ir1 s PHE 115 Cb -0.07 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1ir1 s PHE 115 CO -0.15 -0.54 1.05 0.42 -1.34 0.00 0.00 175.22 174.66 1ir1 s ILE 116 N -1.95 4.65 -0.53 -4.49 1.09 -1.26 -1.20 121.20 117.50 1ir1 s ILE 116 Ca -0.08 1.92 0.16 0.00 -1.10 0.00 0.00 60.65 61.55 1ir1 s ILE 116 Cb -0.02 -4.23 -0.20 0.00 -1.06 0.00 0.00 42.46 36.95 1ir1 s ILE 116 CO 0.02 0.03 0.58 0.00 -0.10 0.00 0.00 174.94 175.47 1ir1 n ALA 117 N 4.83 3.64 -3.57 9.38 0.00 0.55 -4.94 120.51 130.40 1ir1 n ALA 117 Ca 0.09 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1ir1 n ALA 117 Cb 0.48 -0.57 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 1ir1 n ALA 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ir1 s TYR 118 N -2.69 -0.76 0.02 0.00 5.04 -0.92 -4.99 117.35 113.05 1ir1 s TYR 118 Ca 0.02 1.72 0.05 0.00 -2.44 0.00 0.00 57.07 56.43 1ir1 s TYR 118 Cb 0.12 0.33 -0.02 0.00 0.35 0.00 0.00 41.96 42.73 1ir1 s TYR 118 CO 0.66 -0.37 -0.15 0.15 -1.34 0.00 0.00 175.55 174.50 1ir1 s LYS 119 N 0.73 1.11 1.07 4.97 1.02 -1.26 -1.22 119.74 126.16 1ir1 s LYS 119 Ca -0.03 -0.67 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1ir1 s LYS 119 Cb -0.05 -1.11 0.23 0.00 -0.52 0.00 0.00 37.83 36.38 1ir1 s LYS 119 CO -0.05 0.29 1.07 -1.25 -0.92 0.00 0.00 175.35 174.49 1ir1 s PRO 120 N -0.76 -0.17 0.31 -1.68 0.04 -1.25 -4.91 135.00 126.58 1ir1 s PRO 120 Ca 0.04 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 1ir1 s PRO 120 Cb -0.07 -1.67 -0.11 0.00 0.04 0.00 0.00 34.50 32.70 1ir1 s PRO 120 CO 0.00 -3.14 1.45 0.00 0.04 0.00 0.00 177.00 175.35 1ir1 s ALA 121 N -2.82 3.60 0.00 8.56 0.00 -1.26 -2.76 121.76 127.08 1ir1 s ALA 121 Ca 0.67 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1ir1 s ALA 121 Cb -0.20 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1ir1 s ALA 121 CO 0.60 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1ir1 n GLY 122 N 1.39 0.62 0.00 0.00 0.00 -1.26 -5.17 105.19 100.77 1ir1 n GLY 122 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ir1 n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60