#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 5.30 0.07 -0.18 1.01 -1.26 -5.05 120.40 120.29 1ir1 s VAL 3 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 61.98 62.08 1ir1 s VAL 3 Cb 0.00 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 1ir1 s VAL 3 CO 0.00 0.33 1.55 0.86 0.00 0.00 0.00 175.10 177.83 1ir1 s TRP 4 N 1.01 2.71 0.62 5.22 -0.11 -1.26 -4.96 118.94 122.17 1ir1 s TRP 4 Ca 0.13 0.56 -0.18 0.00 1.22 0.00 0.00 56.10 57.83 1ir1 s TRP 4 Cb -0.14 -3.85 -0.04 0.00 -1.50 0.00 0.00 33.47 27.95 1ir1 s TRP 4 CO 0.05 -3.27 1.04 -2.30 -4.62 0.00 0.00 176.95 167.85 1ir1 n PRO 5 N 5.15 0.91 -0.03 5.86 -0.02 -1.26 -4.98 135.00 140.63 1ir1 n PRO 5 Ca 0.14 0.36 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1ir1 n PRO 5 Cb 0.41 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.85 0.38 -2.94 3.45 -2.24 -1.26 -4.91 114.28 104.91 1ir1 n THR 6 Ca 0.15 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 1ir1 n THR 6 Cb 0.48 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.37 4.60 -1.18 -0.78 -0.21 -1.26 -4.29 119.66 114.17 1ir1 s GLN 7 Ca -0.04 1.20 -0.14 0.00 0.02 0.00 0.00 55.36 56.40 1ir1 s GLN 7 Cb 0.04 -3.29 0.02 0.00 1.00 0.00 0.00 33.01 30.78 1ir1 s GLN 7 CO 0.36 0.49 0.27 0.09 -2.12 0.00 0.00 175.29 174.39 1ir1 n ASN 8 N 1.88 -1.19 -0.66 5.90 4.13 -1.26 -4.84 115.26 119.21 1ir1 n ASN 8 Ca -0.04 -1.10 0.04 0.00 1.68 0.00 0.00 54.58 55.16 1ir1 n ASN 8 Cb 0.49 -1.34 0.20 0.00 -1.54 0.00 0.00 39.78 37.59 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 -4.25 1.63 -1.73 3.52 2.81 -1.26 -5.06 117.12 112.79 1ir1 n MET 9 Ca -0.19 -3.21 -0.42 0.00 -1.81 0.00 0.00 57.70 52.07 1ir1 n MET 9 Cb 0.54 -1.65 -0.01 0.00 -0.71 0.00 0.00 33.22 31.39 1ir1 n MET 9 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ir1 n LYS 10 N -1.14 2.36 -4.09 0.03 4.76 -1.26 -5.01 118.16 113.81 1ir1 n LYS 10 Ca 0.22 0.83 -0.24 0.00 -2.87 0.00 0.00 58.31 56.25 1ir1 n LYS 10 Cb 0.76 -2.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.39 1ir1 n LYS 10 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ir1 s ARG 11 N -1.62 2.27 -0.25 1.97 1.81 -1.26 -5.07 118.95 116.79 1ir1 s ARG 11 Ca 0.57 -1.76 0.16 0.00 -1.72 0.00 0.00 55.73 52.99 1ir1 s ARG 11 Cb -0.54 -2.05 0.48 0.00 -0.45 0.00 0.00 34.95 32.39 1ir1 s ARG 11 CO 0.60 -0.06 1.15 0.66 -0.68 0.00 0.00 175.30 176.97 1ir1 n TYR 12 N -1.23 1.66 -4.71 -0.53 4.01 -1.26 -5.11 117.16 109.99 1ir1 n TYR 12 Ca -0.01 -2.01 0.00 0.00 -0.16 0.00 0.00 57.90 55.72 1ir1 n TYR 12 Cb 0.64 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.59 0.00 -1.71 -0.72 -0.58 -1.26 -4.52 120.64 111.25 1ir1 n GLU 13 Ca 0.22 0.00 -0.60 0.00 -0.42 0.00 0.00 57.16 56.36 1ir1 n GLU 13 Cb 0.89 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.68 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 0.23 -0.44 2.62 -1.04 -1.26 -1.68 114.28 112.71 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 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 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 4.94 0.00 0.00 -4.42 4.77 -1.26 -4.63 117.00 116.41 1ir1 n LEU 15 Ca 0.27 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1ir1 n LEU 15 Cb 0.09 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.70 1ir1 n LEU 15 CO 0.82 0.00 0.83 -1.54 -1.33 0.00 0.00 177.39 176.17 1ir1 n SER 16 N 0.00 0.00 -1.02 -1.43 3.41 -0.67 -2.61 113.62 111.29 1ir1 n SER 16 Ca 0.00 0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1ir1 n SER 16 Cb 0.00 -0.29 0.14 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.29 0.17 -3.41 7.33 4.02 -1.26 -4.83 117.16 117.89 1ir1 n TYR 17 Ca 0.10 -0.08 -0.19 0.00 -0.01 0.00 0.00 57.90 57.72 1ir1 n TYR 17 Cb 0.17 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.82 3.90 0.81 7.72 1.43 -1.07 -5.08 118.68 124.57 1ir1 s LEU 18 Ca 0.31 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 1ir1 s LEU 18 Cb 0.21 -2.71 0.08 0.00 0.03 0.00 0.00 46.19 43.80 1ir1 s LEU 18 CO 0.30 -0.49 1.17 -2.84 0.23 0.00 0.00 176.35 174.73 1ir1 s PRO 19 N -4.20 1.70 0.34 1.29 0.02 -1.26 -4.87 135.00 128.03 1ir1 s PRO 19 Ca 0.47 1.62 -0.26 0.00 0.02 0.00 0.00 61.00 62.84 1ir1 s PRO 19 Cb -0.09 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.50 1ir1 s PRO 19 CO 0.31 -2.13 0.89 -2.30 -0.33 0.00 0.00 177.00 173.44 1ir1 n PRO 20 N -3.41 1.12 -2.43 5.54 -0.02 -1.26 -4.90 135.00 129.64 1ir1 n PRO 20 Ca 0.12 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 1ir1 n PRO 20 Cb 0.51 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.61 4.44 0.75 2.45 1.43 -1.26 -5.04 118.68 122.06 1ir1 s LEU 21 Ca 0.61 2.13 -0.10 0.00 -1.03 0.00 0.00 54.13 55.74 1ir1 s LEU 21 Cb -0.66 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.02 1ir1 s LEU 21 CO 0.59 -0.34 1.11 0.42 0.23 0.00 0.00 176.35 178.35 1ir1 s THR 22 N 0.13 2.49 0.50 5.49 -4.23 -1.26 -4.81 115.64 113.95 1ir1 s THR 22 Ca 0.53 0.04 0.15 0.00 -1.18 0.00 0.00 61.69 61.23 1ir1 s THR 22 Cb -0.31 -3.13 0.25 0.00 1.34 0.00 0.00 72.50 70.65 1ir1 s THR 22 CO 0.34 -0.17 2.11 0.71 -0.54 0.00 0.00 174.62 177.08 1ir1 h THR 23 N -0.81 1.03 -0.16 3.99 1.35 -1.99 -0.76 112.91 115.57 1ir1 h THR 23 Ca -0.45 -0.14 -0.20 0.00 -0.55 0.00 0.00 66.41 65.07 1ir1 h THR 23 Cb 1.31 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1ir1 h THR 23 CO 0.64 0.04 -0.71 0.44 -0.25 0.00 0.00 175.52 175.68 1ir1 h ASP 24 N 0.02 0.78 0.12 5.36 3.32 -1.99 -1.90 116.42 122.14 1ir1 h ASP 24 Ca 0.01 -0.49 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 1ir1 h ASP 24 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1ir1 h ASP 24 CO 0.00 1.26 -0.48 1.56 -1.72 0.00 0.00 179.24 179.87 1ir1 h GLN 25 N 0.47 0.42 -0.29 3.56 4.20 -1.73 -1.25 115.11 120.49 1ir1 h GLN 25 Ca -0.03 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 1ir1 h GLN 25 Cb 1.31 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 1ir1 h GLN 25 CO 0.14 0.81 0.02 1.25 -0.67 0.00 0.00 178.83 180.37 1ir1 h LEU 26 N 0.34 0.49 -0.74 1.46 6.46 -1.14 -2.39 115.31 119.78 1ir1 h LEU 26 Ca 0.02 -0.29 0.02 0.00 -0.12 0.00 0.00 57.88 57.51 1ir1 h LEU 26 Cb 0.96 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 1ir1 h LEU 26 CO 0.08 0.66 0.48 0.00 -0.62 0.00 0.00 178.44 179.04 1ir1 h ALA 27 N 0.85 0.96 -0.45 1.25 0.00 -1.12 -2.09 119.26 118.65 1ir1 h ALA 27 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ir1 h ALA 27 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ir1 h ALA 27 CO 0.01 0.31 0.16 0.00 0.00 0.00 0.00 179.25 179.73 1ir1 h ARG 28 N 0.96 0.65 -0.48 0.00 2.47 -1.03 -0.89 114.38 116.06 1ir1 h ARG 28 Ca 0.29 -0.10 -0.11 0.00 -1.26 0.00 0.00 59.98 58.80 1ir1 h ARG 28 Cb -0.05 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.14 1ir1 h ARG 28 CO -0.09 0.56 -0.13 1.96 0.56 0.00 0.00 179.97 182.83 1ir1 h GLN 29 N 0.65 0.90 -0.30 0.04 1.08 -0.87 -1.41 115.11 115.20 1ir1 h GLN 29 Ca 0.15 -0.33 -0.12 0.00 -1.45 0.00 0.00 58.65 56.90 1ir1 h GLN 29 Cb 0.17 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1ir1 h GLN 29 CO -0.01 0.98 -0.32 0.28 -0.95 0.00 0.00 178.83 178.81 1ir1 h VAL 30 N 0.80 1.28 -0.48 -0.54 2.07 -0.93 -2.24 116.25 116.22 1ir1 h VAL 30 Ca 0.13 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 1ir1 h VAL 30 Cb 0.66 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1ir1 h VAL 30 CO 0.05 0.46 -0.04 0.44 0.02 0.00 0.00 177.57 178.51 1ir1 h ASP 31 N 0.54 0.79 -0.44 0.57 3.32 -0.93 -1.53 116.42 118.75 1ir1 h ASP 31 Ca 0.06 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1ir1 h ASP 31 Cb 0.81 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1ir1 h ASP 31 CO 0.07 0.88 0.26 0.22 -1.72 0.00 0.00 179.24 178.95 1ir1 h TYR 32 N 0.75 0.58 -0.08 4.55 3.20 -1.00 0.14 116.97 125.13 1ir1 h TYR 32 Ca 0.14 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1ir1 h TYR 32 Cb 0.51 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1ir1 h TYR 32 CO 0.03 0.42 0.02 1.25 -1.64 0.00 0.00 178.16 178.23 1ir1 h LEU 33 N 0.58 0.01 -0.73 2.82 6.46 -1.08 -2.67 115.31 120.70 1ir1 h LEU 33 Ca 0.16 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.79 1ir1 h LEU 33 Cb 0.01 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1ir1 h LEU 33 CO -0.03 0.02 -0.47 -0.07 -0.62 0.00 0.00 178.44 177.27 1ir1 h LEU 34 N 0.05 0.43 -1.40 2.25 3.38 -1.07 -2.38 115.31 116.57 1ir1 h LEU 34 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1ir1 h LEU 34 Cb 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ir1 h LEU 34 CO -0.04 0.84 -0.16 0.78 0.09 0.00 0.00 178.44 179.95 1ir1 h ASN 35 N 0.32 0.00 -0.22 -0.43 2.35 -0.59 -1.17 115.58 115.84 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 0.16 0.00 0.59 -1.65 0.00 0.00 177.43 176.61 1ir1 n ASN 36 N -3.38 1.85 -2.50 5.81 3.02 -1.02 -4.93 115.26 114.12 1ir1 n ASN 36 Ca -0.00 -1.79 -0.19 0.00 -0.03 0.00 0.00 54.58 52.57 1ir1 n ASN 36 Cb 0.36 -0.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.45 -3.53 -3.09 3.52 4.76 -0.44 -5.01 118.16 114.82 1ir1 n LYS 37 Ca 0.16 0.82 -0.26 0.00 -2.87 0.00 0.00 58.31 56.16 1ir1 n LYS 37 Cb 0.34 -5.41 -0.01 0.00 -1.84 0.00 0.00 35.03 28.11 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 -3.05 3.52 -0.26 2.13 0.51 -0.91 -4.94 118.94 115.95 1ir1 s TRP 38 Ca 0.19 0.58 -0.16 0.00 -2.12 0.00 0.00 56.10 54.59 1ir1 s TRP 38 Cb -0.09 -2.09 -0.03 0.00 -0.81 0.00 0.00 33.47 30.45 1ir1 s TRP 38 CO 0.24 -0.02 0.44 0.08 -0.51 0.00 0.00 176.95 177.18 1ir1 s VAL 39 N -2.43 5.13 0.44 4.03 1.01 -0.28 -4.59 120.40 123.71 1ir1 s VAL 39 Ca 0.44 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 1ir1 s VAL 39 Cb -0.10 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 1ir1 s VAL 39 CO 0.38 0.14 0.98 -2.16 0.00 0.00 0.00 175.10 174.44 1ir1 s PRO 40 N 2.06 4.14 -0.13 2.72 0.04 -1.26 -0.36 135.00 142.22 1ir1 s PRO 40 Ca 0.18 1.21 -0.22 0.00 0.04 0.00 0.00 61.00 62.21 1ir1 s PRO 40 Cb -0.16 -2.21 0.05 0.00 0.04 0.00 0.00 34.50 32.22 1ir1 s PRO 40 CO 0.09 -0.11 0.54 0.00 0.04 0.00 0.00 177.00 177.56 1ir1 s LEU 42 N -0.43 3.33 0.02 0.00 1.02 -1.26 -0.95 118.68 120.42 1ir1 s LEU 42 Ca -0.06 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 53.98 1ir1 s LEU 42 Cb -0.03 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 1ir1 s LEU 42 CO 0.04 0.24 -0.07 -1.61 0.02 0.00 0.00 176.35 174.98 1ir1 s GLU 43 N -1.76 0.49 0.07 1.70 2.02 -0.87 -1.03 118.70 119.32 1ir1 s GLU 43 Ca 0.20 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1ir1 s GLU 43 Cb -0.11 -0.35 -0.03 0.00 0.10 0.00 0.00 34.13 33.73 1ir1 s GLU 43 CO 0.12 0.08 -0.06 -0.59 0.02 0.00 0.00 175.26 174.82 1ir1 s PHE 44 N -0.87 0.71 -0.11 1.61 -0.71 0.39 -1.49 117.98 117.51 1ir1 s PHE 44 Ca -0.05 -0.77 -0.07 0.00 -1.04 0.00 0.00 56.93 55.00 1ir1 s PHE 44 Cb -0.07 -0.43 0.04 0.00 -1.21 0.00 0.00 43.02 41.35 1ir1 s PHE 44 CO 0.00 -0.17 0.28 -2.00 -1.34 0.00 0.00 175.22 171.99 1ir1 s GLU 45 N -2.91 0.27 -0.10 1.99 2.56 -0.66 -1.09 118.70 118.77 1ir1 s GLU 45 Ca 0.02 0.50 0.08 0.00 0.00 0.00 0.00 54.97 55.57 1ir1 s GLU 45 Cb -0.01 -0.00 -0.11 0.00 2.00 0.00 0.00 34.13 36.01 1ir1 s GLU 45 CO -0.04 -0.11 0.02 0.25 -0.56 0.00 0.00 175.26 174.82 1ir1 n THR 46 N 3.74 0.66 -0.04 -1.70 -2.24 -1.26 -1.01 114.28 112.42 1ir1 n THR 46 Ca -0.20 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.16 1ir1 n THR 46 Cb 0.55 -0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 68.01 1ir1 n THR 46 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ir1 h ASP 47 N 0.00 0.00 -3.95 3.42 3.32 -1.97 -3.45 116.42 113.79 1ir1 h ASP 47 Ca -0.26 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.06 1ir1 h ASP 47 Cb 1.57 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.80 1ir1 h ASP 47 CO 0.01 0.44 -0.23 -1.00 -1.72 0.00 0.00 179.24 176.73 1ir1 s HIS 48 N -1.71 3.52 -0.90 4.55 3.76 -1.26 -4.91 115.29 118.34 1ir1 s HIS 48 Ca -0.08 -2.41 0.19 0.00 -0.15 0.00 0.00 55.06 52.61 1ir1 s HIS 48 Cb 0.01 -3.42 0.80 0.00 1.11 0.00 0.00 32.58 31.08 1ir1 s HIS 48 CO 0.12 -0.90 1.61 0.41 -0.85 0.00 0.00 174.74 175.12 1ir1 n GLY 49 N 3.79 -1.17 3.11 -2.22 0.00 -1.26 -4.80 105.19 102.64 1ir1 n GLY 49 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.06 0.74 0.45 1.61 0.08 -1.26 -5.13 117.98 111.41 1ir1 s PHE 50 Ca 0.08 -0.77 -0.24 0.00 0.12 0.00 0.00 56.93 56.11 1ir1 s PHE 50 Cb 0.11 -0.44 -0.07 0.00 -0.57 0.00 0.00 43.02 42.04 1ir1 s PHE 50 CO 0.35 -0.16 1.29 0.14 -0.10 0.00 0.00 175.22 176.74 1ir1 s VAL 51 N -2.79 2.60 0.34 -0.44 -7.23 -1.26 -4.76 120.40 106.85 1ir1 s VAL 51 Ca 0.02 0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1ir1 s VAL 51 Cb -0.00 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 1ir1 s VAL 51 CO -0.03 0.04 0.42 -0.72 -0.31 0.00 0.00 175.10 174.49 1ir1 s TYR 52 N -1.34 1.26 -0.27 2.82 1.13 -0.74 -4.99 117.35 115.22 1ir1 s TYR 52 Ca 0.62 -1.40 -0.03 0.00 -1.41 0.00 0.00 57.07 54.85 1ir1 s TYR 52 Cb -0.36 -0.26 0.09 0.00 -1.10 0.00 0.00 41.96 40.32 1ir1 s TYR 52 CO 0.45 -1.06 0.09 1.03 -2.51 0.00 0.00 175.55 173.56 1ir1 s ARG 53 N -3.17 0.48 -0.08 -3.49 0.52 -1.26 -0.44 118.95 111.51 1ir1 s ARG 53 Ca 0.33 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 1ir1 s ARG 53 Cb 0.00 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 1ir1 s ARG 53 CO 0.22 -0.90 -0.09 -1.91 0.02 0.00 0.00 175.30 172.64 1ir1 n GLU 54 N 5.06 0.18 0.03 3.54 2.13 -1.26 -4.82 120.64 125.50 1ir1 n GLU 54 Ca -0.05 0.07 0.12 0.00 0.66 0.00 0.00 57.16 57.95 1ir1 n GLU 54 Cb 0.44 -0.93 0.16 0.00 0.27 0.00 0.00 31.44 31.38 1ir1 n GLU 54 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1ir1 n HIS 55 N -3.14 0.30 -3.52 4.31 8.25 -1.26 -4.98 115.22 115.18 1ir1 n HIS 55 Ca -0.15 0.09 -0.08 0.00 -0.26 0.00 0.00 57.72 57.31 1ir1 n HIS 55 Cb 0.63 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 1ir1 n HIS 55 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ir1 s HIS 56 N -3.12 -0.33 0.00 4.41 2.46 -1.26 -5.06 115.29 112.39 1ir1 s HIS 56 Ca 0.07 0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.88 1ir1 s HIS 56 Cb 0.15 0.52 0.00 0.00 -0.13 0.00 0.00 32.58 33.12 1ir1 s HIS 56 CO 0.73 -0.48 0.74 0.09 -2.47 0.00 0.00 174.74 173.36 1ir1 n ASN 57 N -0.07 1.03 -4.76 9.88 5.03 -1.26 -4.82 115.26 120.29 1ir1 n ASN 57 Ca -0.08 -1.51 -0.31 0.00 0.87 0.00 0.00 54.58 53.55 1ir1 n ASN 57 Cb 0.61 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.45 1ir1 n ASN 57 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1ir1 s SER 58 N -0.51 4.54 0.02 6.41 1.04 -1.26 -4.89 113.70 119.05 1ir1 s SER 58 Ca 0.00 1.88 -0.38 0.00 0.48 0.00 0.00 55.95 57.93 1ir1 s SER 58 Cb 0.00 -2.53 -0.17 0.00 0.10 0.00 0.00 66.02 63.42 1ir1 s SER 58 CO 0.00 -2.01 1.32 -2.65 0.98 0.00 0.00 173.24 170.88 1ir1 n PRO 59 N -3.33 0.88 -0.96 4.02 -0.02 -1.26 -1.36 135.00 132.96 1ir1 n PRO 59 Ca 0.09 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ir1 n PRO 59 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 2.49 0.90 3.60 -1.23 0.00 -1.26 -5.01 105.19 104.67 1ir1 n GLY 60 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.66 3.24 -0.03 1.61 6.14 -0.46 -5.07 117.35 119.11 1ir1 s TYR 61 Ca 0.00 0.04 -0.06 0.00 0.64 0.00 0.00 57.07 57.69 1ir1 s TYR 61 Cb 0.00 -2.23 0.01 0.00 0.42 0.00 0.00 41.96 40.16 1ir1 s TYR 61 CO 0.00 -0.03 0.13 0.71 0.64 0.00 0.00 175.55 177.00 1ir1 s TYR 62 N 1.10 -0.06 0.29 4.97 2.02 -1.26 -4.70 117.35 119.70 1ir1 s TYR 62 Ca 0.06 0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1ir1 s TYR 62 Cb -0.14 0.00 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 1ir1 s TYR 62 CO 0.04 -0.17 0.49 -0.51 -1.57 0.00 0.00 175.55 173.83 1ir1 s ASP 63 N -0.59 6.34 0.00 2.29 1.01 0.42 -4.47 116.67 121.67 1ir1 s ASP 63 Ca -0.07 0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.61 1ir1 s ASP 63 Cb -0.04 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.87 1ir1 s ASP 63 CO 0.01 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.80 1ir1 n GLY 64 N -1.37 0.71 0.15 0.21 0.00 -1.26 -1.79 105.19 101.85 1ir1 n GLY 64 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 4.11 0.50 -6.38 1.61 3.08 -1.93 -3.42 114.38 111.96 1ir1 h ARG 65 Ca 0.00 -0.66 -0.54 0.00 0.07 0.00 0.00 59.98 58.84 1ir1 h ARG 65 Cb 0.00 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1ir1 h ARG 65 CO 0.00 1.28 0.57 0.71 -1.07 0.00 0.00 179.97 181.45 1ir1 s TYR 66 N -2.94 3.41 0.26 3.04 2.02 -1.26 -5.03 117.35 116.85 1ir1 s TYR 66 Ca -0.11 1.40 0.02 0.00 -0.37 0.00 0.00 57.07 58.00 1ir1 s TYR 66 Cb 0.04 -3.32 0.02 0.00 -0.40 0.00 0.00 41.96 38.29 1ir1 s TYR 66 CO 0.88 -0.88 0.15 0.91 -1.57 0.00 0.00 175.55 175.05 1ir1 n TRP 67 N 4.48 -0.68 -3.81 2.71 7.02 -1.26 -5.09 117.44 120.80 1ir1 n TRP 67 Ca 0.09 -1.14 -0.37 0.00 -1.02 0.00 0.00 57.50 55.07 1ir1 n TRP 67 Cb 0.48 -0.20 -0.06 0.00 -2.42 0.00 0.00 31.31 29.10 1ir1 n TRP 67 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1ir1 s THR 68 N -1.44 5.44 0.08 -0.99 2.01 -0.25 -4.89 115.64 115.60 1ir1 s THR 68 Ca 0.11 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1ir1 s THR 68 Cb -0.01 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1ir1 s THR 68 CO 0.07 0.59 1.07 -0.32 -0.69 0.00 0.00 174.62 175.34 1ir1 s MET 69 N -0.82 4.55 -0.44 4.92 1.75 -1.26 -0.46 119.30 127.55 1ir1 s MET 69 Ca 0.15 1.59 -0.22 0.00 -1.25 0.00 0.00 55.69 55.97 1ir1 s MET 69 Cb -0.12 -3.37 0.02 0.00 2.84 0.00 0.00 34.83 34.20 1ir1 s MET 69 CO 0.04 -0.04 0.69 -0.46 -0.65 0.00 0.00 175.02 174.61 1ir1 s TRP 70 N 0.57 3.05 0.00 4.11 -0.11 -0.20 -4.89 118.94 121.46 1ir1 s TRP 70 Ca 0.52 0.05 0.00 0.00 1.22 0.00 0.00 56.10 57.90 1ir1 s TRP 70 Cb -0.26 -3.44 0.00 0.00 -1.50 0.00 0.00 33.47 28.27 1ir1 s TRP 70 CO 0.30 -0.89 0.00 1.63 -4.62 0.00 0.00 176.95 173.37 1ir1 n LYS 71 N 6.41 0.00 -4.22 5.86 5.02 -1.26 -4.53 118.16 125.44 1ir1 n LYS 71 Ca -0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 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 2.09 0.52 -0.35 1.43 -1.26 -5.09 118.68 116.03 1ir1 s LEU 72 Ca 0.00 -1.17 -0.22 0.00 -1.03 0.00 0.00 54.13 51.71 1ir1 s LEU 72 Cb 0.00 -0.00 -0.06 0.00 0.03 0.00 0.00 46.19 46.16 1ir1 s LEU 72 CO 0.00 -0.59 1.31 -2.65 0.23 0.00 0.00 176.35 174.65 1ir1 n PRO 73 N -0.21 1.68 -2.31 1.29 -0.02 -1.26 -4.84 135.00 129.34 1ir1 n PRO 73 Ca -0.07 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1ir1 n PRO 73 Cb 0.63 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1ir1 n PRO 73 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1ir1 n MET 74 N -0.78 3.45 -1.71 -0.52 2.81 -0.11 -4.99 117.12 115.28 1ir1 n MET 74 Ca 0.10 -3.39 -0.43 0.00 -1.81 0.00 0.00 57.70 52.17 1ir1 n MET 74 Cb 0.44 -3.02 -0.03 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 4.60 2.66 -0.97 2.03 3.72 -1.26 -2.15 117.46 126.09 1ir1 n PHE 75 Ca 0.42 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.84 1ir1 n PHE 75 Cb 0.38 -2.67 0.00 0.00 -0.94 0.00 0.00 39.48 36.25 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 3.97 0.75 3.74 1.37 0.00 -1.26 -5.01 105.19 108.74 1ir1 n GLY 76 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 2.79 0.00 -3.83 0.00 -2.24 -1.26 -5.00 114.28 104.74 1ir1 n THR 78 Ca 0.07 -0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 1ir1 n THR 78 Cb 0.42 1.30 -0.13 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.19 4.93 0.51 3.42 2.15 -1.26 -4.99 116.67 121.24 1ir1 s ASP 79 Ca 0.00 -0.90 0.18 0.00 0.43 0.00 0.00 52.55 52.25 1ir1 s ASP 79 Cb 0.00 -1.80 1.26 0.00 -0.30 0.00 0.00 42.92 42.08 1ir1 s ASP 79 CO 0.00 -0.21 2.09 1.55 -0.17 0.00 0.00 175.17 178.43 1ir1 h PRO 80 N 8.15 0.06 0.00 4.34 0.13 -1.95 -0.93 132.00 141.80 1ir1 h PRO 80 Ca -0.29 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1ir1 h PRO 80 Cb 1.10 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ir1 h PRO 80 CO 0.59 0.04 -0.06 0.00 -0.23 0.00 0.00 178.00 178.34 1ir1 h ALA 81 N 1.89 1.82 -0.65 -0.56 0.00 -1.99 -1.88 119.26 117.90 1ir1 h ALA 81 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ir1 h ALA 81 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ir1 h ALA 81 CO -0.01 0.07 0.16 0.37 0.00 0.00 0.00 179.25 179.84 1ir1 h GLN 82 N 0.00 1.04 -0.14 0.00 5.75 -1.59 -0.94 115.11 119.23 1ir1 h GLN 82 Ca -0.00 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 58.13 1ir1 h GLN 82 Cb 0.11 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.52 1ir1 h GLN 82 CO 0.01 0.93 -0.36 0.28 -2.65 0.00 0.00 178.83 177.04 1ir1 h VAL 83 N 0.96 1.36 -0.01 2.39 2.07 -1.44 -2.89 116.25 118.69 1ir1 h VAL 83 Ca 0.20 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.04 1ir1 h VAL 83 Cb 0.36 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1ir1 h VAL 83 CO 0.00 0.49 -0.19 -0.07 0.02 0.00 0.00 177.57 177.82 1ir1 h LEU 84 N 0.11 0.02 -0.23 2.57 3.38 -1.35 -1.86 115.31 117.94 1ir1 h LEU 84 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ir1 h LEU 84 Cb 0.97 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1ir1 h LEU 84 CO 0.08 0.22 0.02 -1.13 0.09 0.00 0.00 178.44 177.72 1ir1 h ASN 85 N 0.02 0.38 -0.20 -0.43 -1.24 -1.10 -2.39 115.58 110.61 1ir1 h ASN 85 Ca 0.00 -0.28 -0.04 0.00 0.71 0.00 0.00 56.30 56.69 1ir1 h ASN 85 Cb 0.36 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 1ir1 h ASN 85 CO 0.03 0.56 0.02 -0.33 -1.29 0.00 0.00 177.43 176.42 1ir1 h GLU 86 N 0.18 0.45 -0.31 6.67 4.39 -1.23 -1.93 114.58 122.80 1ir1 h GLU 86 Ca 0.07 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ir1 h GLU 86 Cb 0.35 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1ir1 h GLU 86 CO 0.01 0.47 0.20 1.25 -1.16 0.00 0.00 179.01 179.77 1ir1 h LEU 87 N 0.44 0.36 -0.72 1.33 5.85 -1.05 0.54 115.31 122.06 1ir1 h LEU 87 Ca 0.10 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1ir1 h LEU 87 Cb 0.26 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1ir1 h LEU 87 CO 0.01 0.27 0.28 -0.33 -0.34 0.00 0.00 178.44 178.33 1ir1 h GLU 88 N 0.41 1.09 -0.50 1.25 4.39 -0.95 -1.06 114.58 119.22 1ir1 h GLU 88 Ca 0.11 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1ir1 h GLU 88 Cb -0.03 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1ir1 h GLU 88 CO -0.02 0.90 0.20 0.93 -1.16 0.00 0.00 179.01 179.86 1ir1 h GLU 89 N 1.04 0.74 -0.57 2.33 5.08 -0.98 -0.96 114.58 121.26 1ir1 h GLU 89 Ca 0.24 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1ir1 h GLU 89 Cb 0.22 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1ir1 h GLU 89 CO -0.02 0.66 0.23 0.00 -1.00 0.00 0.00 179.01 178.88 1ir1 h LYS 91 N 0.78 0.86 -0.48 0.00 1.57 -0.98 0.23 116.57 118.55 1ir1 h LYS 91 Ca 0.19 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1ir1 h LYS 91 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1ir1 h LYS 91 CO -0.02 0.70 0.14 -0.22 -0.57 0.00 0.00 179.45 179.49 1ir1 h LYS 92 N 0.85 0.74 0.03 3.15 3.64 -0.78 -2.30 116.57 121.90 1ir1 h LYS 92 Ca 0.20 -0.16 -0.23 0.00 -1.27 0.00 0.00 60.65 59.19 1ir1 h LYS 92 Cb 0.16 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1ir1 h LYS 92 CO -0.02 0.71 -1.06 1.49 -2.27 0.00 0.00 179.45 178.30 1ir1 h GLU 93 N 0.64 0.07 -2.25 1.90 4.81 -1.01 -3.40 114.58 115.35 1ir1 h GLU 93 Ca 0.15 -0.12 -0.59 0.00 -0.13 0.00 0.00 59.36 58.67 1ir1 h GLU 93 Cb 0.28 0.05 -0.40 0.00 0.63 0.00 0.00 28.75 29.30 1ir1 h GLU 93 CO -0.00 1.05 -0.84 0.66 -0.73 0.00 0.00 179.01 179.15 1ir1 n TYR 94 N -3.41 1.42 0.40 0.92 4.01 0.77 -4.92 117.16 116.35 1ir1 n TYR 94 Ca -0.02 -3.83 0.13 0.00 -0.16 0.00 0.00 57.90 54.02 1ir1 n TYR 94 Cb 0.96 -0.37 0.51 0.00 -0.31 0.00 0.00 39.34 40.12 1ir1 n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ir1 h PRO 95 N 4.45 0.00 -0.41 -0.72 0.13 -1.63 -2.83 132.00 130.99 1ir1 h PRO 95 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ir1 h PRO 95 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1ir1 h PRO 95 CO 0.61 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.65 1ir1 n ASN 96 N -2.41 2.90 -4.75 1.44 6.94 -1.26 -4.54 115.26 113.58 1ir1 n ASN 96 Ca 0.02 -1.93 -0.23 0.00 -0.02 0.00 0.00 54.58 52.42 1ir1 n ASN 96 Cb 0.28 -0.27 -0.06 0.00 -2.36 0.00 0.00 39.78 37.37 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 -1.46 3.42 0.06 -2.53 0.00 -1.07 -4.75 121.76 115.44 1ir1 s ALA 97 Ca 0.37 -1.47 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 1ir1 s ALA 97 Cb 0.20 -1.12 -0.06 0.00 0.00 0.00 0.00 23.12 22.14 1ir1 s ALA 97 CO 0.28 0.30 0.57 -0.06 0.00 0.00 0.00 175.76 176.86 1ir1 s PHE 98 N -2.12 3.79 -0.07 0.00 0.40 -0.18 -3.82 117.98 115.98 1ir1 s PHE 98 Ca 0.32 1.26 0.02 0.00 -0.60 0.00 0.00 56.93 57.93 1ir1 s PHE 98 Cb -0.08 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 40.95 1ir1 s PHE 98 CO 0.23 0.55 -0.11 0.42 0.70 0.00 0.00 175.22 177.00 1ir1 s ILE 99 N -0.94 1.06 0.12 0.64 1.01 -0.30 -1.66 121.20 121.12 1ir1 s ILE 99 Ca 0.29 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.60 1ir1 s ILE 99 Cb -0.19 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1ir1 s ILE 99 CO 0.19 0.34 -0.19 0.00 0.00 0.00 0.00 174.94 175.27 1ir1 s ARG 100 N 0.79 1.16 -0.16 2.79 1.70 -0.56 -0.20 118.95 124.47 1ir1 s ARG 100 Ca -0.12 -1.24 -0.05 0.00 -0.47 0.00 0.00 55.73 53.85 1ir1 s ARG 100 Cb -0.15 -1.32 -0.03 0.00 -0.57 0.00 0.00 34.95 32.87 1ir1 s ARG 100 CO 0.02 0.29 0.00 0.42 -1.08 0.00 0.00 175.30 174.96 1ir1 s ILE 101 N -1.51 4.28 0.23 4.99 1.01 -0.42 -2.04 121.20 127.73 1ir1 s ILE 101 Ca 0.09 -0.22 0.09 0.00 0.00 0.00 0.00 60.65 60.61 1ir1 s ILE 101 Cb -0.08 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1ir1 s ILE 101 CO 0.05 0.49 -0.15 0.27 0.00 0.00 0.00 174.94 175.60 1ir1 s ILE 102 N 0.21 1.90 -0.06 2.92 -4.36 -0.12 -2.08 121.20 119.61 1ir1 s ILE 102 Ca 0.00 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.15 1ir1 s ILE 102 Cb -0.13 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.47 1ir1 s ILE 102 CO 0.02 -0.53 -0.05 -0.83 0.24 0.00 0.00 174.94 173.79 1ir1 s GLY 103 N -3.37 0.52 -0.08 6.27 0.00 -0.36 -1.31 107.32 108.99 1ir1 s GLY 103 Ca 0.25 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 1ir1 s GLY 103 CO 0.09 0.57 0.26 -1.36 0.00 0.00 0.00 173.10 172.66 1ir1 s PHE 104 N 1.16 3.63 -0.42 1.90 0.08 0.52 -1.26 117.98 123.59 1ir1 s PHE 104 Ca -0.07 0.72 -0.08 0.00 0.12 0.00 0.00 56.93 57.62 1ir1 s PHE 104 Cb -0.14 -2.12 0.09 0.00 -0.57 0.00 0.00 43.02 40.27 1ir1 s PHE 104 CO -0.01 0.64 0.25 0.34 -0.10 0.00 0.00 175.22 176.34 1ir1 s ASP 105 N -0.87 5.57 0.38 1.36 -1.08 -0.65 -1.12 116.67 120.26 1ir1 s ASP 105 Ca 0.18 -1.61 0.28 0.00 -0.52 0.00 0.00 52.55 50.88 1ir1 s ASP 105 Cb -0.14 -1.96 1.11 0.00 -1.46 0.00 0.00 42.92 40.47 1ir1 s ASP 105 CO 0.08 -0.55 1.83 0.77 0.52 0.00 0.00 175.17 177.81 1ir1 h SER 106 N 8.35 0.00 0.06 -0.34 4.64 -1.92 0.62 113.55 124.96 1ir1 h SER 106 Ca -0.21 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1ir1 h SER 106 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1ir1 h SER 106 CO 0.76 0.00 -0.03 -1.13 -0.87 0.00 0.00 176.83 175.56 1ir1 h ASN 107 N 0.00 -0.06 0.44 4.97 -0.73 -1.96 -3.29 115.58 114.95 1ir1 h ASN 107 Ca 0.00 -0.49 0.00 0.00 1.87 0.00 0.00 56.30 57.68 1ir1 h ASN 107 Cb 0.47 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1ir1 h ASN 107 CO 0.00 0.49 -0.87 0.54 -0.37 0.00 0.00 177.43 177.21 1ir1 n ARG 108 N -4.86 0.19 -3.50 6.67 1.74 -1.19 -4.98 116.66 110.72 1ir1 n ARG 108 Ca -0.09 0.01 -0.20 0.00 -0.77 0.00 0.00 57.85 56.80 1ir1 n ARG 108 Cb 0.28 -1.57 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.82 -3.86 -3.97 5.56 7.27 0.21 -5.02 117.38 115.76 1ir1 n GLN 109 Ca 0.03 0.72 -0.09 0.00 0.07 0.00 0.00 57.00 57.72 1ir1 n GLN 109 Cb 0.40 -5.35 -0.11 0.00 2.41 0.00 0.00 30.24 27.59 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 -3.48 0.10 -0.22 1.69 -7.23 -1.07 -4.98 120.40 105.21 1ir1 s VAL 110 Ca 0.22 -0.79 -0.27 0.00 -1.81 0.00 0.00 61.98 59.33 1ir1 s VAL 110 Cb -0.05 -0.23 -0.00 0.00 0.56 0.00 0.00 36.38 36.66 1ir1 s VAL 110 CO 0.78 -0.43 0.92 -1.10 -0.31 0.00 0.00 175.10 174.96 1ir1 s GLN 111 N -1.27 4.24 0.00 4.82 -0.21 -1.26 -1.64 119.66 124.34 1ir1 s GLN 111 Ca -0.14 1.13 0.23 0.00 0.02 0.00 0.00 55.36 56.61 1ir1 s GLN 111 Cb -0.09 -3.63 0.16 0.00 1.00 0.00 0.00 33.01 30.45 1ir1 s GLN 111 CO -0.01 -0.52 1.17 0.00 -2.12 0.00 0.00 175.29 173.82 1ir1 s VAL 113 N -2.81 -0.01 -0.30 0.00 1.01 -1.22 -4.96 120.40 112.11 1ir1 s VAL 113 Ca 0.14 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1ir1 s VAL 113 Cb 0.17 -0.11 0.17 0.00 0.00 0.00 0.00 36.38 36.61 1ir1 s VAL 113 CO 0.71 0.01 0.85 -0.55 0.00 0.00 0.00 175.10 176.12 1ir1 s SER 114 N 0.20 -0.85 -0.03 3.32 0.15 -1.25 -1.23 113.70 114.01 1ir1 s SER 114 Ca -0.01 0.75 -0.18 0.00 0.70 0.00 0.00 55.95 57.20 1ir1 s SER 114 Cb -0.02 1.80 0.03 0.00 -1.71 0.00 0.00 66.02 66.12 1ir1 s SER 114 CO -0.01 -0.16 0.39 0.72 1.20 0.00 0.00 173.24 175.38 1ir1 s PHE 115 N 2.79 -0.30 0.03 3.44 -0.71 -0.88 -4.44 117.98 117.91 1ir1 s PHE 115 Ca 0.05 0.50 -0.30 0.00 -1.04 0.00 0.00 56.93 56.13 1ir1 s PHE 115 Cb -0.11 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 1ir1 s PHE 115 CO -0.17 -0.42 1.18 -1.50 -1.34 0.00 0.00 175.22 172.98 1ir1 s ILE 116 N -1.17 4.15 -0.34 -4.49 1.10 -1.26 -1.30 121.20 117.89 1ir1 s ILE 116 Ca -0.12 1.53 0.13 0.00 -0.51 0.00 0.00 60.65 61.68 1ir1 s ILE 116 Cb -0.04 -3.98 -0.17 0.00 0.15 0.00 0.00 42.46 38.42 1ir1 s ILE 116 CO 0.05 0.09 0.43 0.00 -2.11 0.00 0.00 174.94 173.40 1ir1 n ALA 117 N 4.19 3.14 -3.50 1.50 0.00 0.72 -4.92 120.51 121.63 1ir1 n ALA 117 Ca 0.09 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 1ir1 n ALA 117 Cb 0.47 -0.46 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.52 -0.63 -0.01 0.00 5.04 -0.90 -4.99 117.35 113.33 1ir1 s TYR 118 Ca 0.00 1.46 0.04 0.00 -2.44 0.00 0.00 57.07 56.14 1ir1 s TYR 118 Cb 0.09 0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.65 1ir1 s TYR 118 CO 0.53 -0.32 -0.14 0.15 -1.34 0.00 0.00 175.55 174.44 1ir1 s LYS 119 N 0.63 1.18 1.15 4.97 1.02 -1.26 -1.15 119.74 126.27 1ir1 s LYS 119 Ca -0.03 -0.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.29 1ir1 s LYS 119 Cb -0.05 -1.13 0.26 0.00 -0.52 0.00 0.00 37.83 36.39 1ir1 s LYS 119 CO -0.04 0.30 1.08 -1.25 -0.92 0.00 0.00 175.35 174.52 1ir1 s PRO 120 N -0.30 -0.79 0.20 -1.68 0.04 -1.25 -4.89 135.00 126.32 1ir1 s PRO 120 Ca 0.05 0.20 -0.33 0.00 0.04 0.00 0.00 61.00 60.97 1ir1 s PRO 120 Cb -0.06 -1.62 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 1ir1 s PRO 120 CO -0.00 -3.48 1.57 0.00 0.04 0.00 0.00 177.00 175.12 1ir1 n ALA 121 N -4.65 1.71 -0.30 8.56 0.00 -1.26 -2.88 120.51 121.68 1ir1 n ALA 121 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ir1 n ALA 121 Cb 0.58 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1ir1 n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ir1 n GLY 122 N 3.10 0.80 0.00 0.00 0.00 -1.26 -5.18 105.19 102.65 1ir1 n GLY 122 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ir1 n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60