#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 5.31 0.02 -0.18 1.01 -1.26 -5.06 120.40 120.24 1ir1 s VAL 3 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1ir1 s VAL 3 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 1ir1 s VAL 3 CO 0.00 0.38 1.59 0.86 0.00 0.00 0.00 175.10 177.93 1ir1 s TRP 4 N 0.85 2.40 0.61 5.22 -0.11 -1.26 -4.96 118.94 121.68 1ir1 s TRP 4 Ca 0.07 0.41 -0.18 0.00 1.22 0.00 0.00 56.10 57.62 1ir1 s TRP 4 Cb -0.13 -3.87 -0.05 0.00 -1.50 0.00 0.00 33.47 27.91 1ir1 s TRP 4 CO 0.03 -3.51 0.80 -2.30 -4.62 0.00 0.00 176.95 167.35 1ir1 n PRO 5 N 5.99 0.70 -0.02 5.86 -0.02 -1.26 -4.98 135.00 141.28 1ir1 n PRO 5 Ca 0.16 0.28 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 1ir1 n PRO 5 Cb 0.42 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.84 0.22 -3.34 3.45 -2.24 -1.26 -4.92 114.28 104.35 1ir1 n THR 6 Ca 0.13 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.29 1ir1 n THR 6 Cb 0.48 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.40 4.16 -1.38 -0.78 -0.21 -1.26 -4.37 119.66 113.42 1ir1 s GLN 7 Ca -0.03 0.57 -0.08 0.00 0.02 0.00 0.00 55.36 55.83 1ir1 s GLN 7 Cb 0.04 -3.30 0.01 0.00 1.00 0.00 0.00 33.01 30.76 1ir1 s GLN 7 CO 0.32 0.50 0.39 0.09 -2.12 0.00 0.00 175.29 174.47 1ir1 n ASN 8 N 2.37 -1.19 -0.86 5.90 3.02 -1.26 -4.88 115.26 118.37 1ir1 n ASN 8 Ca -0.10 -1.13 0.01 0.00 -0.03 0.00 0.00 54.58 53.32 1ir1 n ASN 8 Cb 0.51 -2.47 0.19 0.00 -0.61 0.00 0.00 39.78 37.41 1ir1 n ASN 8 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ir1 n MET 9 N -4.53 1.84 -1.76 3.52 2.81 -1.26 -5.06 117.12 112.68 1ir1 n MET 9 Ca -0.26 -3.37 -0.40 0.00 -1.81 0.00 0.00 57.70 51.86 1ir1 n MET 9 Cb 0.66 -1.73 0.02 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.08 2.25 -4.43 0.03 4.76 -1.26 -5.02 118.16 113.42 1ir1 n LYS 10 Ca 0.24 0.80 -0.26 0.00 -2.87 0.00 0.00 58.31 56.23 1ir1 n LYS 10 Cb 0.78 -2.62 -0.09 0.00 -1.84 0.00 0.00 35.03 31.25 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 -2.43 2.00 -0.25 1.97 1.81 -1.26 -5.08 118.95 115.72 1ir1 s ARG 11 Ca 0.61 -1.89 0.15 0.00 -1.72 0.00 0.00 55.73 52.87 1ir1 s ARG 11 Cb -0.45 -1.81 0.47 0.00 -0.45 0.00 0.00 34.95 32.71 1ir1 s ARG 11 CO 0.58 0.06 1.16 0.66 -0.68 0.00 0.00 175.30 177.08 1ir1 n TYR 12 N -0.96 1.75 -4.69 -0.53 4.01 -1.26 -5.11 117.16 110.37 1ir1 n TYR 12 Ca -0.04 -1.99 0.00 0.00 -0.16 0.00 0.00 57.90 55.70 1ir1 n TYR 12 Cb 0.64 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.62 0.00 -1.63 -0.72 -0.58 -1.26 -4.50 120.64 111.33 1ir1 n GLU 13 Ca 0.26 0.00 -0.63 0.00 -0.42 0.00 0.00 57.16 56.37 1ir1 n GLU 13 Cb 0.90 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.67 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 0.09 -0.34 2.62 -1.04 -1.26 -1.42 114.28 112.93 1ir1 n THR 14 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1ir1 n THR 14 Cb 0.00 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 5.35 0.00 0.00 -4.42 4.77 -1.26 -4.64 117.00 116.80 1ir1 n LEU 15 Ca 0.35 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1ir1 n LEU 15 Cb 0.01 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.58 1ir1 n LEU 15 CO 0.87 0.00 0.83 -1.54 -1.33 0.00 0.00 177.39 176.21 1ir1 n SER 16 N 0.00 0.00 -0.89 -1.43 3.41 -0.51 -2.54 113.62 111.67 1ir1 n SER 16 Ca 0.00 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1ir1 n SER 16 Cb 0.00 -0.39 0.18 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.39 0.03 -3.39 7.33 4.02 -1.26 -4.83 117.16 117.66 1ir1 n TYR 17 Ca 0.07 -0.02 -0.21 0.00 -0.01 0.00 0.00 57.90 57.74 1ir1 n TYR 17 Cb 0.20 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.97 3.94 0.83 7.72 1.43 -1.05 -5.07 118.68 124.52 1ir1 s LEU 18 Ca 0.30 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1ir1 s LEU 18 Cb 0.20 -2.98 0.10 0.00 0.03 0.00 0.00 46.19 43.54 1ir1 s LEU 18 CO 0.31 -0.43 1.19 -2.84 0.23 0.00 0.00 176.35 174.80 1ir1 s PRO 19 N -4.28 1.48 0.27 1.29 0.02 -1.26 -4.86 135.00 127.66 1ir1 s PRO 19 Ca 0.43 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 62.85 1ir1 s PRO 19 Cb -0.10 -1.77 -0.14 0.00 0.02 0.00 0.00 34.50 32.52 1ir1 s PRO 19 CO 0.34 -2.32 1.14 -2.30 -0.33 0.00 0.00 177.00 173.53 1ir1 n PRO 20 N -3.55 1.54 -2.13 5.54 -0.02 -1.26 -4.89 135.00 130.23 1ir1 n PRO 20 Ca 0.13 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1ir1 n PRO 20 Cb 0.51 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.21 4.39 0.89 2.45 1.43 -1.26 -5.02 118.68 121.77 1ir1 s LEU 21 Ca 0.62 2.45 -0.14 0.00 -1.03 0.00 0.00 54.13 56.04 1ir1 s LEU 21 Cb -0.70 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.07 1ir1 s LEU 21 CO 0.57 -0.63 1.25 0.42 0.23 0.00 0.00 176.35 178.18 1ir1 s THR 22 N 0.54 2.02 0.13 5.49 -4.23 -1.26 -4.80 115.64 113.52 1ir1 s THR 22 Ca 0.61 -0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.89 1ir1 s THR 22 Cb -0.38 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.46 1ir1 s THR 22 CO 0.36 0.00 1.70 0.74 -0.54 0.00 0.00 174.62 176.88 1ir1 h THR 23 N -1.35 0.77 -0.22 3.99 2.02 -2.00 -1.44 112.91 114.69 1ir1 h THR 23 Ca -0.45 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.61 1ir1 h THR 23 Cb 1.27 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1ir1 h THR 23 CO 0.49 0.00 -0.37 0.44 0.37 0.00 0.00 175.52 176.45 1ir1 h ASP 24 N -0.01 0.51 -0.44 4.18 3.32 -1.99 -2.16 116.42 119.83 1ir1 h ASP 24 Ca 0.10 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1ir1 h ASP 24 Cb 0.17 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1ir1 h ASP 24 CO -0.23 0.84 0.11 1.56 -1.72 0.00 0.00 179.24 179.80 1ir1 h GLN 25 N 0.41 0.76 -0.18 3.56 4.20 -1.84 -0.88 115.11 121.16 1ir1 h GLN 25 Ca 0.04 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1ir1 h GLN 25 Cb 0.83 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1ir1 h GLN 25 CO 0.07 0.70 -0.03 1.25 -0.67 0.00 0.00 178.83 180.15 1ir1 h LEU 26 N 0.74 0.33 -1.24 1.46 5.85 -1.06 -2.77 115.31 118.63 1ir1 h LEU 26 Ca 0.16 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1ir1 h LEU 26 Cb 0.29 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1ir1 h LEU 26 CO -0.00 0.61 0.53 0.00 -0.34 0.00 0.00 178.44 179.24 1ir1 h ALA 27 N 0.74 1.51 -0.02 1.25 0.00 -1.01 -1.89 119.26 119.84 1ir1 h ALA 27 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ir1 h ALA 27 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ir1 h ALA 27 CO 0.02 0.41 -0.43 0.00 0.00 0.00 0.00 179.25 179.24 1ir1 h ARG 28 N 0.99 0.04 -0.34 0.00 2.47 -1.03 -0.58 114.38 115.93 1ir1 h ARG 28 Ca 0.32 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.88 1ir1 h ARG 28 Cb 0.04 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1ir1 h ARG 28 CO -0.09 0.47 -0.37 1.96 0.56 0.00 0.00 179.97 182.49 1ir1 h GLN 29 N 0.04 0.80 -0.30 0.04 1.08 -1.07 -1.17 115.11 114.52 1ir1 h GLN 29 Ca 0.00 -0.40 -0.12 0.00 -1.45 0.00 0.00 58.65 56.68 1ir1 h GLN 29 Cb 0.77 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 1ir1 h GLN 29 CO 0.06 1.03 -0.29 0.28 -0.95 0.00 0.00 178.83 178.96 1ir1 h VAL 30 N 0.66 1.28 -0.67 -0.54 2.07 -1.03 -1.99 116.25 116.03 1ir1 h VAL 30 Ca 0.06 -1.39 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 1ir1 h VAL 30 Cb 0.92 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1ir1 h VAL 30 CO 0.08 0.45 0.16 0.44 0.02 0.00 0.00 177.57 178.73 1ir1 h ASP 31 N 0.53 1.01 -0.29 0.57 3.32 -0.91 -1.06 116.42 119.59 1ir1 h ASP 31 Ca 0.07 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1ir1 h ASP 31 Cb 0.77 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1ir1 h ASP 31 CO 0.06 0.98 0.18 0.22 -1.72 0.00 0.00 179.24 178.96 1ir1 h TYR 32 N 0.99 0.33 -0.27 4.55 3.20 -0.91 0.28 116.97 125.14 1ir1 h TYR 32 Ca 0.21 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1ir1 h TYR 32 Cb 0.37 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1ir1 h TYR 32 CO 0.03 0.20 0.14 1.25 -1.64 0.00 0.00 178.16 178.14 1ir1 h LEU 33 N 0.36 0.33 -0.76 2.82 5.85 -1.12 -2.71 115.31 120.08 1ir1 h LEU 33 Ca 0.11 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1ir1 h LEU 33 Cb -0.01 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ir1 h LEU 33 CO -0.05 0.32 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.14 1ir1 h LEU 34 N 0.31 0.76 -1.56 2.25 4.07 -0.92 -2.77 115.31 117.46 1ir1 h LEU 34 Ca 0.09 -0.25 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 1ir1 h LEU 34 Cb 0.07 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1ir1 h LEU 34 CO -0.01 0.93 -0.22 0.78 -1.08 0.00 0.00 178.44 178.84 1ir1 h ASN 35 N 0.68 0.00 -0.15 -0.43 2.35 -0.35 -1.63 115.58 116.05 1ir1 h ASN 35 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1ir1 h ASN 35 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 1ir1 h ASN 35 CO 0.05 0.22 0.00 0.59 -1.65 0.00 0.00 177.43 176.64 1ir1 n ASN 36 N -3.82 1.30 -2.26 5.81 3.02 -1.03 -4.92 115.26 113.36 1ir1 n ASN 36 Ca -0.02 -1.69 -0.19 0.00 -0.03 0.00 0.00 54.58 52.66 1ir1 n ASN 36 Cb 0.32 -0.09 0.00 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 0.10 -2.39 -3.43 3.52 4.76 -0.61 -5.01 118.16 115.09 1ir1 n LYS 37 Ca 0.15 0.85 -0.30 0.00 -2.87 0.00 0.00 58.31 56.14 1ir1 n LYS 37 Cb 0.26 -5.39 -0.04 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 -2.97 3.46 -0.18 2.13 0.51 -1.06 -4.94 118.94 115.89 1ir1 s TRP 38 Ca 0.09 0.68 -0.14 0.00 -2.12 0.00 0.00 56.10 54.61 1ir1 s TRP 38 Cb -0.04 -2.12 -0.04 0.00 -0.81 0.00 0.00 33.47 30.45 1ir1 s TRP 38 CO 0.11 0.25 0.31 0.54 -0.51 0.00 0.00 176.95 177.66 1ir1 s VAL 39 N -1.92 5.28 0.48 4.03 0.11 -0.39 -4.56 120.40 123.43 1ir1 s VAL 39 Ca 0.44 0.57 -0.19 0.00 -2.93 0.00 0.00 61.98 59.87 1ir1 s VAL 39 Cb -0.11 -3.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.00 1ir1 s VAL 39 CO 0.26 0.34 1.00 -2.16 -3.33 0.00 0.00 175.10 171.21 1ir1 s PRO 40 N 0.77 3.94 -0.14 1.54 0.04 -1.26 -0.56 135.00 139.33 1ir1 s PRO 40 Ca 0.17 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1ir1 s PRO 40 Cb -0.14 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.34 1ir1 s PRO 40 CO 0.05 -0.29 0.65 0.00 0.04 0.00 0.00 177.00 177.45 1ir1 s LEU 42 N -0.53 3.11 0.02 0.00 1.02 -1.26 -1.14 118.68 119.91 1ir1 s LEU 42 Ca -0.06 -0.19 0.03 0.00 0.02 0.00 0.00 54.13 53.92 1ir1 s LEU 42 Cb -0.02 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.37 1ir1 s LEU 42 CO 0.06 0.27 -0.09 -1.61 0.02 0.00 0.00 176.35 175.00 1ir1 s GLU 43 N -1.50 0.63 0.08 1.70 2.02 -0.77 -1.05 118.70 119.80 1ir1 s GLU 43 Ca 0.17 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1ir1 s GLU 43 Cb -0.11 -0.55 -0.03 0.00 0.10 0.00 0.00 34.13 33.54 1ir1 s GLU 43 CO 0.08 0.13 -0.08 -0.59 0.02 0.00 0.00 175.26 174.83 1ir1 s PHE 44 N -0.70 0.82 -0.09 1.61 -0.71 0.16 -1.15 117.98 117.92 1ir1 s PHE 44 Ca -0.02 -0.72 -0.05 0.00 -1.04 0.00 0.00 56.93 55.10 1ir1 s PHE 44 Cb -0.06 -0.48 0.04 0.00 -1.21 0.00 0.00 43.02 41.31 1ir1 s PHE 44 CO 0.00 -0.11 0.22 -2.00 -1.34 0.00 0.00 175.22 172.00 1ir1 s GLU 45 N -2.80 0.20 -0.21 1.99 2.56 -0.77 -1.02 118.70 118.65 1ir1 s GLU 45 Ca 0.02 0.45 0.11 0.00 0.00 0.00 0.00 54.97 55.55 1ir1 s GLU 45 Cb -0.02 -0.07 -0.21 0.00 2.00 0.00 0.00 34.13 35.83 1ir1 s GLU 45 CO -0.02 -0.13 -0.04 0.25 -0.56 0.00 0.00 175.26 174.76 1ir1 n THR 46 N 3.92 1.36 -0.06 -1.70 -2.24 -1.26 -1.25 114.28 113.04 1ir1 n THR 46 Ca -0.22 -0.71 -0.12 0.00 -2.27 0.00 0.00 64.05 60.72 1ir1 n THR 46 Cb 0.54 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 1ir1 n THR 46 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ir1 n ASP 47 N -2.91 1.51 -4.39 3.42 5.75 -1.26 -4.84 116.55 113.83 1ir1 n ASP 47 Ca -0.36 0.25 -0.45 0.00 -0.01 0.00 0.00 54.79 54.22 1ir1 n ASP 47 Cb 1.07 -0.58 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1ir1 n ASP 47 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1ir1 s HIS 48 N -2.49 3.93 -0.77 2.11 3.76 -1.26 -4.84 115.29 115.73 1ir1 s HIS 48 Ca -0.22 -2.41 0.19 0.00 -0.15 0.00 0.00 55.06 52.47 1ir1 s HIS 48 Cb 0.06 -4.02 0.80 0.00 1.11 0.00 0.00 32.58 30.52 1ir1 s HIS 48 CO 0.30 -1.13 1.59 0.41 -0.85 0.00 0.00 174.74 175.06 1ir1 n GLY 49 N 3.37 -1.15 3.14 -2.22 0.00 -1.26 -4.76 105.19 102.31 1ir1 n GLY 49 Ca 0.28 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.14 0.85 0.61 1.61 0.08 -1.26 -5.12 117.98 111.61 1ir1 s PHE 50 Ca 0.06 -0.74 -0.18 0.00 0.12 0.00 0.00 56.93 56.19 1ir1 s PHE 50 Cb 0.10 -0.49 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1ir1 s PHE 50 CO 0.33 -0.10 1.19 0.14 -0.10 0.00 0.00 175.22 176.68 1ir1 s VAL 51 N -2.73 2.72 0.33 -0.44 -7.23 -1.26 -4.77 120.40 107.03 1ir1 s VAL 51 Ca 0.04 0.42 -0.05 0.00 -1.81 0.00 0.00 61.98 60.59 1ir1 s VAL 51 Cb -0.01 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.85 1ir1 s VAL 51 CO -0.02 -0.13 0.52 0.00 -0.31 0.00 0.00 175.10 175.16 1ir1 n TYR 52 N -1.82 -1.60 -3.57 2.82 4.11 -0.68 -4.99 117.16 111.43 1ir1 n TYR 52 Ca 0.13 -2.05 -0.29 0.00 -0.00 0.00 0.00 57.90 55.69 1ir1 n TYR 52 Cb 0.50 0.60 -0.14 0.00 -0.00 0.00 0.00 39.34 40.30 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 -2.57 0.52 -0.16 -3.48 0.52 -1.26 -0.01 118.95 112.51 1ir1 s ARG 53 Ca 0.24 -1.04 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1ir1 s ARG 53 Cb -0.02 -1.50 -0.09 0.00 0.52 0.00 0.00 34.95 33.87 1ir1 s ARG 53 CO 0.17 -1.09 -0.17 -1.91 0.02 0.00 0.00 175.30 172.32 1ir1 n GLU 54 N 4.62 0.38 0.08 3.54 2.13 -1.26 -4.78 120.64 125.35 1ir1 n GLU 54 Ca 0.02 0.12 0.12 0.00 0.66 0.00 0.00 57.16 58.08 1ir1 n GLU 54 Cb 0.40 -1.21 0.05 0.00 0.27 0.00 0.00 31.44 30.95 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 -0.28 0.00 -2.41 4.31 3.86 -2.00 -3.48 115.15 115.15 1ir1 h HIS 55 Ca -0.39 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 58.89 1ir1 h HIS 55 Cb 1.47 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.78 1ir1 h HIS 55 CO -0.02 0.00 0.41 -1.58 0.86 0.00 0.00 177.93 177.60 1ir1 s HIS 56 N -3.29 -0.42 -0.03 2.45 2.46 -1.26 -5.07 115.29 110.13 1ir1 s HIS 56 Ca 0.02 0.32 0.06 0.00 0.47 0.00 0.00 55.06 55.93 1ir1 s HIS 56 Cb 0.11 0.53 0.11 0.00 -0.13 0.00 0.00 32.58 33.20 1ir1 s HIS 56 CO 0.77 -0.62 1.05 0.27 -2.47 0.00 0.00 174.74 173.75 1ir1 n ASN 57 N -0.16 0.64 -4.82 9.88 6.94 -1.26 -4.79 115.26 121.69 1ir1 n ASN 57 Ca -0.12 -2.29 -0.30 0.00 -0.02 0.00 0.00 54.58 51.85 1ir1 n ASN 57 Cb 0.62 -0.27 0.06 0.00 -2.36 0.00 0.00 39.78 37.84 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 -1.55 5.08 0.11 0.53 1.04 -1.26 -4.93 113.70 112.72 1ir1 s SER 58 Ca 0.10 1.41 -0.35 0.00 0.48 0.00 0.00 55.95 57.60 1ir1 s SER 58 Cb 0.10 -2.23 -0.15 0.00 0.10 0.00 0.00 66.02 63.84 1ir1 s SER 58 CO -0.01 -1.61 1.50 -2.65 0.98 0.00 0.00 173.24 171.45 1ir1 n PRO 59 N -3.21 1.73 -0.26 4.02 -0.02 -1.26 -1.93 135.00 134.08 1ir1 n PRO 59 Ca 0.07 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1ir1 n PRO 59 Cb 0.55 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.12 1.74 3.74 -1.23 0.00 -1.26 -5.03 105.19 106.27 1ir1 n GLY 60 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.99 3.44 -0.05 1.61 6.14 -0.81 -5.07 117.35 119.61 1ir1 s TYR 61 Ca 0.00 0.41 -0.14 0.00 0.64 0.00 0.00 57.07 57.98 1ir1 s TYR 61 Cb 0.00 -2.19 0.03 0.00 0.42 0.00 0.00 41.96 40.22 1ir1 s TYR 61 CO 0.00 0.31 0.33 0.71 0.64 0.00 0.00 175.55 177.54 1ir1 s TYR 62 N 0.28 -0.25 0.29 4.97 2.02 -1.26 -4.72 117.35 118.68 1ir1 s TYR 62 Ca 0.11 0.49 0.03 0.00 -0.37 0.00 0.00 57.07 57.32 1ir1 s TYR 62 Cb -0.12 0.11 -0.03 0.00 -0.40 0.00 0.00 41.96 41.53 1ir1 s TYR 62 CO -0.00 -0.33 0.45 -0.51 -1.57 0.00 0.00 175.55 173.59 1ir1 s ASP 63 N -0.85 6.29 0.00 2.29 1.01 0.98 -4.46 116.67 121.93 1ir1 s ASP 63 Ca -0.09 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.40 1ir1 s ASP 63 Cb -0.04 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1ir1 s ASP 63 CO 0.03 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.84 1ir1 n GLY 64 N -1.59 0.74 0.15 0.21 0.00 -1.26 -1.68 105.19 101.75 1ir1 n GLY 64 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 2.71 0.54 -6.47 1.61 3.08 -1.93 -3.41 114.38 110.51 1ir1 h ARG 65 Ca 0.00 -0.92 -0.53 0.00 0.07 0.00 0.00 59.98 58.60 1ir1 h ARG 65 Cb 0.00 0.34 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1ir1 h ARG 65 CO 0.00 1.44 0.32 0.71 -1.07 0.00 0.00 179.97 181.37 1ir1 s TYR 66 N -2.60 3.76 0.47 3.04 2.02 -1.26 -5.06 117.35 117.72 1ir1 s TYR 66 Ca -0.09 1.70 0.02 0.00 -0.37 0.00 0.00 57.07 58.33 1ir1 s TYR 66 Cb 0.04 -3.02 0.02 0.00 -0.40 0.00 0.00 41.96 38.60 1ir1 s TYR 66 CO 0.95 0.17 0.16 0.91 -1.57 0.00 0.00 175.55 176.17 1ir1 n TRP 67 N 3.04 0.28 -3.53 2.71 7.02 -1.26 -5.08 117.44 120.62 1ir1 n TRP 67 Ca 0.02 -2.16 -0.38 0.00 -1.02 0.00 0.00 57.50 53.96 1ir1 n TRP 67 Cb 0.50 -0.34 -0.06 0.00 -2.42 0.00 0.00 31.31 28.98 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 -2.54 5.12 0.14 -0.99 2.01 -0.18 -4.88 115.64 114.31 1ir1 s THR 68 Ca 0.12 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.58 1ir1 s THR 68 Cb -0.01 -3.68 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 1ir1 s THR 68 CO 0.08 0.55 1.02 -0.32 -0.69 0.00 0.00 174.62 175.25 1ir1 s MET 69 N -0.80 4.66 -0.45 4.92 1.75 -1.26 -0.66 119.30 127.46 1ir1 s MET 69 Ca 0.22 1.56 -0.21 0.00 -1.25 0.00 0.00 55.69 56.02 1ir1 s MET 69 Cb -0.16 -3.33 0.03 0.00 2.84 0.00 0.00 34.83 34.21 1ir1 s MET 69 CO 0.11 0.17 0.64 -0.46 -0.65 0.00 0.00 175.02 174.83 1ir1 s TRP 70 N -0.13 3.06 0.00 4.11 -0.11 -0.22 -4.90 118.94 120.76 1ir1 s TRP 70 Ca 0.48 -0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.69 1ir1 s TRP 70 Cb -0.26 -3.36 0.00 0.00 -1.50 0.00 0.00 33.47 28.35 1ir1 s TRP 70 CO 0.32 -0.89 0.00 1.63 -4.62 0.00 0.00 176.95 173.39 1ir1 n LYS 71 N 6.26 0.00 -4.26 5.86 5.02 -1.26 -4.54 118.16 125.24 1ir1 n LYS 71 Ca -0.02 0.00 -0.14 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 35.38 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 1.89 0.42 -0.35 1.43 -1.26 -5.10 118.68 115.71 1ir1 s LEU 72 Ca 0.00 -1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 51.58 1ir1 s LEU 72 Cb 0.00 0.01 -0.09 0.00 0.03 0.00 0.00 46.19 46.15 1ir1 s LEU 72 CO 0.00 -0.65 1.38 -2.84 0.23 0.00 0.00 176.35 174.48 1ir1 s PRO 73 N -3.97 3.85 -1.40 1.29 0.02 -1.26 -4.83 135.00 128.68 1ir1 s PRO 73 Ca 0.29 2.33 -0.12 0.00 0.02 0.00 0.00 61.00 63.52 1ir1 s PRO 73 Cb 0.07 -2.73 0.08 0.00 0.02 0.00 0.00 34.50 31.93 1ir1 s PRO 73 CO 0.07 -0.65 2.16 -1.33 -0.33 0.00 0.00 177.00 176.92 1ir1 n MET 74 N 0.01 3.24 -1.70 5.54 2.81 0.11 -4.97 117.12 122.16 1ir1 n MET 74 Ca 0.04 -2.93 -0.44 0.00 -1.81 0.00 0.00 57.70 52.57 1ir1 n MET 74 Cb 0.42 -3.11 -0.03 0.00 -0.71 0.00 0.00 33.22 29.79 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 4.99 2.56 -1.01 2.03 3.72 -1.26 -2.02 117.46 126.47 1ir1 n PHE 75 Ca 0.50 0.19 -0.00 0.00 -0.05 0.00 0.00 57.45 58.08 1ir1 n PHE 75 Cb 0.36 -2.60 -0.00 0.00 -0.94 0.00 0.00 39.48 36.30 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 3.32 0.47 3.73 1.37 0.00 -1.26 -5.02 105.19 107.81 1ir1 n GLY 76 Ca 0.15 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 2.68 0.01 -4.00 0.00 -2.24 -1.26 -5.00 114.28 104.47 1ir1 n THR 78 Ca 0.03 -0.20 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 1ir1 n THR 78 Cb 0.47 1.58 -0.15 0.00 -2.10 0.00 0.00 70.33 70.14 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 -0.01 4.29 0.50 3.42 2.15 -1.26 -4.99 116.67 120.78 1ir1 s ASP 79 Ca 0.00 -1.06 0.21 0.00 0.43 0.00 0.00 52.55 52.12 1ir1 s ASP 79 Cb 0.00 -1.61 1.28 0.00 -0.30 0.00 0.00 42.92 42.29 1ir1 s ASP 79 CO 0.00 -0.15 2.02 1.55 -0.17 0.00 0.00 175.17 178.42 1ir1 h PRO 80 N 7.93 0.10 -0.79 4.34 0.13 -1.95 -0.80 132.00 140.95 1ir1 h PRO 80 Ca -0.28 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1ir1 h PRO 80 Cb 1.08 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1ir1 h PRO 80 CO 0.54 0.06 0.52 0.00 -0.23 0.00 0.00 178.00 178.90 1ir1 h ALA 81 N 1.78 1.44 -0.97 -0.56 0.00 -1.98 -1.26 119.26 117.71 1ir1 h ALA 81 Ca 0.21 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ir1 h ALA 81 Cb 0.70 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1ir1 h ALA 81 CO -0.02 0.51 0.63 0.37 0.00 0.00 0.00 179.25 180.75 1ir1 h GLN 82 N 1.06 1.21 -0.09 0.00 4.15 -1.57 0.17 115.11 120.05 1ir1 h GLN 82 Ca 0.29 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 1ir1 h GLN 82 Cb -0.11 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.30 1ir1 h GLN 82 CO -0.06 0.80 -0.14 0.28 -1.93 0.00 0.00 178.83 177.78 1ir1 h VAL 83 N 1.24 1.39 0.00 2.39 2.07 -1.32 -2.65 116.25 119.38 1ir1 h VAL 83 Ca 0.38 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ir1 h VAL 83 Cb -0.03 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1ir1 h VAL 83 CO -0.11 0.39 -0.00 -0.07 0.02 0.00 0.00 177.57 177.80 1ir1 h LEU 84 N -0.19 0.00 -0.06 2.57 3.38 -0.97 -1.90 115.31 118.13 1ir1 h LEU 84 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1ir1 h LEU 84 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ir1 h LEU 84 CO 0.03 0.00 -0.30 0.78 0.09 0.00 0.00 178.44 179.04 1ir1 h ASN 85 N 0.00 0.38 -0.23 -0.43 2.35 -0.50 -2.91 115.58 114.24 1ir1 h ASN 85 Ca -0.00 -0.65 -0.06 0.00 -0.55 0.00 0.00 56.30 55.04 1ir1 h ASN 85 Cb 0.33 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 1ir1 h ASN 85 CO 0.00 0.97 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.37 1ir1 h GLU 86 N -0.19 0.56 -0.53 0.81 4.39 -1.08 -2.31 114.58 116.23 1ir1 h GLU 86 Ca -0.02 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.57 1ir1 h GLU 86 Cb 0.96 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1ir1 h GLU 86 CO 0.06 0.62 0.31 1.25 -1.16 0.00 0.00 179.01 180.10 1ir1 h LEU 87 N 0.53 0.50 -0.70 1.33 5.85 -1.34 0.66 115.31 122.14 1ir1 h LEU 87 Ca 0.11 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1ir1 h LEU 87 Cb 0.41 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1ir1 h LEU 87 CO 0.02 0.35 0.08 -0.33 -0.34 0.00 0.00 178.44 178.22 1ir1 h GLU 88 N 0.62 1.08 -0.52 1.25 4.39 -1.28 -1.24 114.58 118.88 1ir1 h GLU 88 Ca 0.22 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ir1 h GLU 88 Cb 0.05 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1ir1 h GLU 88 CO -0.11 1.00 0.31 0.93 -1.16 0.00 0.00 179.01 179.99 1ir1 h GLU 89 N 1.00 0.70 -0.67 2.33 4.39 -0.86 -1.21 114.58 120.26 1ir1 h GLU 89 Ca 0.19 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 1ir1 h GLU 89 Cb 0.46 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1ir1 h GLU 89 CO 0.02 0.51 0.13 0.00 -1.16 0.00 0.00 179.01 178.50 1ir1 h LYS 91 N 1.03 0.83 -0.41 0.00 1.57 -0.92 0.73 116.57 119.40 1ir1 h LYS 91 Ca 0.21 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ir1 h LYS 91 Cb 0.41 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1ir1 h LYS 91 CO 0.01 0.82 0.20 0.87 -0.57 0.00 0.00 179.45 180.78 1ir1 h LYS 92 N 0.78 0.60 0.00 3.15 6.56 -0.91 -1.99 116.57 124.75 1ir1 h LYS 92 Ca 0.15 -0.09 -0.17 0.00 -1.06 0.00 0.00 60.65 59.49 1ir1 h LYS 92 Cb 0.44 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1ir1 h LYS 92 CO 0.02 0.52 -0.80 1.49 -2.06 0.00 0.00 179.45 178.62 1ir1 h GLU 93 N 0.53 0.00 -2.07 3.15 4.81 -1.29 -3.39 114.58 116.32 1ir1 h GLU 93 Ca 0.14 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.80 1ir1 h GLU 93 Cb 0.12 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.10 1ir1 h GLU 93 CO -0.02 0.80 -0.94 0.66 -0.73 0.00 0.00 179.01 178.78 1ir1 n TYR 94 N -3.31 1.08 0.38 0.92 4.01 0.23 -4.92 117.16 115.55 1ir1 n TYR 94 Ca 0.01 -3.78 0.13 0.00 -0.16 0.00 0.00 57.90 54.10 1ir1 n TYR 94 Cb 0.85 -0.42 0.52 0.00 -0.31 0.00 0.00 39.34 39.98 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 3.97 0.00 -0.39 -0.72 0.13 -1.57 -2.70 132.00 130.71 1ir1 h PRO 95 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ir1 h PRO 95 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ir1 h PRO 95 CO 0.59 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.63 1ir1 n ASN 96 N -2.36 3.00 -4.73 1.44 6.94 -1.26 -4.58 115.26 113.71 1ir1 n ASN 96 Ca 0.02 -1.93 -0.22 0.00 -0.02 0.00 0.00 54.58 52.42 1ir1 n ASN 96 Cb 0.24 -0.25 -0.06 0.00 -2.36 0.00 0.00 39.78 37.34 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 -1.49 3.37 0.13 -2.53 0.00 -1.02 -4.78 121.76 115.44 1ir1 s ALA 97 Ca 0.38 -1.58 -0.20 0.00 0.00 0.00 0.00 51.96 50.56 1ir1 s ALA 97 Cb 0.21 -0.98 -0.07 0.00 0.00 0.00 0.00 23.12 22.27 1ir1 s ALA 97 CO 0.29 0.23 0.64 -0.06 0.00 0.00 0.00 175.76 176.87 1ir1 s PHE 98 N -2.26 3.78 -0.06 0.00 0.40 -0.38 -3.98 117.98 115.48 1ir1 s PHE 98 Ca 0.33 1.35 0.02 0.00 -0.60 0.00 0.00 56.93 58.03 1ir1 s PHE 98 Cb -0.07 -2.56 0.01 0.00 0.51 0.00 0.00 43.02 40.91 1ir1 s PHE 98 CO 0.22 0.51 -0.11 0.42 0.70 0.00 0.00 175.22 176.96 1ir1 s ILE 99 N -1.23 1.06 0.12 0.64 1.01 -0.63 -1.85 121.20 120.32 1ir1 s ILE 99 Ca 0.34 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.63 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 0.21 0.34 -0.19 0.00 0.00 0.00 0.00 174.94 175.30 1ir1 s ARG 100 N 0.71 1.14 -0.16 2.79 1.70 -0.30 -0.45 118.95 124.38 1ir1 s ARG 100 Ca -0.14 -1.23 -0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1ir1 s ARG 100 Cb -0.16 -1.28 -0.03 0.00 -0.57 0.00 0.00 34.95 32.91 1ir1 s ARG 100 CO 0.03 0.28 -0.03 0.42 -1.08 0.00 0.00 175.30 174.93 1ir1 s ILE 101 N -1.55 4.01 0.22 4.99 1.01 -0.46 -1.85 121.20 127.57 1ir1 s ILE 101 Ca 0.09 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.51 1ir1 s ILE 101 Cb -0.08 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1ir1 s ILE 101 CO 0.05 0.49 -0.16 0.27 0.00 0.00 0.00 174.94 175.59 1ir1 s ILE 102 N 0.34 1.94 -0.09 2.92 -4.36 -0.29 -1.99 121.20 119.68 1ir1 s ILE 102 Ca -0.03 -2.24 0.00 0.00 -0.26 0.00 0.00 60.65 58.12 1ir1 s ILE 102 Cb -0.14 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.50 1ir1 s ILE 102 CO 0.03 -0.52 -0.07 -0.83 0.24 0.00 0.00 174.94 173.79 1ir1 s GLY 103 N -3.31 0.73 -0.01 6.27 0.00 -0.12 -1.70 107.32 109.18 1ir1 s GLY 103 Ca 0.24 -0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.39 1ir1 s GLY 103 CO 0.09 0.68 0.45 -1.36 0.00 0.00 0.00 173.10 172.95 1ir1 s PHE 104 N 1.45 3.71 -0.39 1.90 0.08 0.27 -0.88 117.98 124.12 1ir1 s PHE 104 Ca -0.01 1.03 -0.05 0.00 0.12 0.00 0.00 56.93 58.02 1ir1 s PHE 104 Cb -0.13 -2.36 0.08 0.00 -0.57 0.00 0.00 43.02 40.03 1ir1 s PHE 104 CO -0.05 0.56 0.18 0.34 -0.10 0.00 0.00 175.22 176.16 1ir1 s ASP 105 N -0.83 5.34 0.44 1.36 -1.08 -0.66 -1.27 116.67 119.98 1ir1 s ASP 105 Ca 0.25 -1.63 0.22 0.00 -0.52 0.00 0.00 52.55 50.87 1ir1 s ASP 105 Cb -0.17 -1.87 1.00 0.00 -1.46 0.00 0.00 42.92 40.43 1ir1 s ASP 105 CO 0.14 -0.47 1.89 0.77 0.52 0.00 0.00 175.17 178.01 1ir1 h SER 106 N 8.19 0.00 -0.29 -0.34 4.64 -1.92 0.57 113.55 124.40 1ir1 h SER 106 Ca -0.19 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.02 1ir1 h SER 106 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1ir1 h SER 106 CO 0.68 0.25 -0.25 0.78 -0.87 0.00 0.00 176.83 177.43 1ir1 h ASN 107 N 0.00 0.72 0.37 4.97 2.35 -1.96 -3.19 115.58 118.84 1ir1 h ASN 107 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1ir1 h ASN 107 Cb 0.63 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1ir1 h ASN 107 CO 0.03 1.03 -1.19 0.54 -1.65 0.00 0.00 177.43 176.19 1ir1 n ARG 108 N -4.30 0.35 -3.53 0.81 1.74 -1.20 -4.98 116.66 105.56 1ir1 n ARG 108 Ca -0.04 -0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.81 1ir1 n ARG 108 Cb 0.44 -1.59 0.05 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.03 -3.70 -4.08 5.56 7.27 0.20 -5.01 117.38 115.59 1ir1 n GLN 109 Ca 0.01 0.69 -0.15 0.00 0.07 0.00 0.00 57.00 57.63 1ir1 n GLN 109 Cb 0.46 -5.26 -0.14 0.00 2.41 0.00 0.00 30.24 27.70 1ir1 n GLN 109 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ir1 s VAL 110 N -3.50 0.30 -0.34 1.69 1.01 -1.00 -4.98 120.40 113.58 1ir1 s VAL 110 Ca 0.23 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1ir1 s VAL 110 Cb -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1ir1 s VAL 110 CO 0.79 0.08 1.06 -1.10 0.00 0.00 0.00 175.10 175.93 1ir1 s GLN 111 N -0.11 4.01 0.05 2.72 -0.21 -1.26 -1.65 119.66 123.20 1ir1 s GLN 111 Ca 0.01 0.96 0.23 0.00 0.02 0.00 0.00 55.36 56.59 1ir1 s GLN 111 Cb -0.02 -3.76 0.19 0.00 1.00 0.00 0.00 33.01 30.42 1ir1 s GLN 111 CO -0.00 -0.96 1.16 0.00 -2.12 0.00 0.00 175.29 173.37 1ir1 s VAL 113 N -3.13 0.41 -0.30 0.00 1.01 -1.19 -4.95 120.40 112.24 1ir1 s VAL 113 Ca 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1ir1 s VAL 113 Cb 0.15 -0.34 0.18 0.00 0.00 0.00 0.00 36.38 36.36 1ir1 s VAL 113 CO 0.77 0.12 0.93 -0.55 0.00 0.00 0.00 175.10 176.36 1ir1 s SER 114 N -0.11 -0.70 -0.02 3.32 0.15 -1.25 -0.95 113.70 114.14 1ir1 s SER 114 Ca 0.02 0.58 -0.17 0.00 0.70 0.00 0.00 55.95 57.08 1ir1 s SER 114 Cb -0.02 1.65 0.03 0.00 -1.71 0.00 0.00 66.02 65.96 1ir1 s SER 114 CO -0.00 -0.13 0.36 0.72 1.20 0.00 0.00 173.24 175.39 1ir1 s PHE 115 N 2.80 -0.24 0.05 3.44 -0.71 -0.84 -4.47 117.98 118.00 1ir1 s PHE 115 Ca 0.03 0.37 -0.31 0.00 -1.04 0.00 0.00 56.93 55.99 1ir1 s PHE 115 Cb -0.10 0.14 -0.06 0.00 -1.21 0.00 0.00 43.02 41.79 1ir1 s PHE 115 CO -0.15 -0.42 1.25 0.42 -1.34 0.00 0.00 175.22 174.98 1ir1 s ILE 116 N -1.35 3.91 -0.27 -4.49 1.09 -1.26 -1.36 121.20 117.47 1ir1 s ILE 116 Ca -0.13 1.35 0.12 0.00 -1.10 0.00 0.00 60.65 60.89 1ir1 s ILE 116 Cb -0.04 -3.87 -0.16 0.00 -1.06 0.00 0.00 42.46 37.33 1ir1 s ILE 116 CO 0.05 0.08 0.38 0.00 -0.10 0.00 0.00 174.94 175.35 1ir1 n ALA 117 N 4.25 2.97 -3.41 9.38 0.00 0.40 -4.92 120.51 129.18 1ir1 n ALA 117 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1ir1 n ALA 117 Cb 0.45 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.51 -0.56 -0.00 0.00 5.04 -0.97 -5.00 117.35 113.36 1ir1 s TYR 118 Ca -0.00 1.34 0.03 0.00 -2.44 0.00 0.00 57.07 56.00 1ir1 s TYR 118 Cb 0.08 0.20 -0.01 0.00 0.35 0.00 0.00 41.96 42.58 1ir1 s TYR 118 CO 0.50 -0.27 -0.10 0.15 -1.34 0.00 0.00 175.55 174.49 1ir1 s LYS 119 N 0.33 0.79 0.73 4.97 1.02 -1.26 -1.61 119.74 124.71 1ir1 s LYS 119 Ca -0.01 -0.40 -0.13 0.00 0.02 0.00 0.00 55.97 55.46 1ir1 s LYS 119 Cb -0.04 -0.76 0.04 0.00 -0.52 0.00 0.00 37.83 36.56 1ir1 s LYS 119 CO -0.00 0.20 1.12 -1.25 -0.92 0.00 0.00 175.35 174.50 1ir1 s PRO 120 N -0.36 2.34 0.19 -1.68 0.04 -1.26 -4.90 135.00 129.37 1ir1 s PRO 120 Ca 0.03 1.38 -0.33 0.00 0.04 0.00 0.00 61.00 62.12 1ir1 s PRO 120 Cb -0.04 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 1ir1 s PRO 120 CO -0.00 -1.61 1.42 0.00 0.04 0.00 0.00 177.00 176.85 1ir1 n ALA 121 N -3.03 0.66 0.00 8.56 0.00 -1.26 -2.30 120.51 123.14 1ir1 n ALA 121 Ca 0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1ir1 n ALA 121 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 2.57 1.00 0.20 0.00 0.00 -1.26 -5.17 105.19 102.53 1ir1 n GLY 122 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1ir1 n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60