#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 5.33 0.01 -0.18 1.01 -1.26 -5.05 120.40 120.26 1ir1 s VAL 3 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 1ir1 s VAL 3 Cb 0.00 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1ir1 s VAL 3 CO 0.00 0.35 1.51 0.86 0.00 0.00 0.00 175.10 177.81 1ir1 s TRP 4 N 0.95 2.61 0.63 5.22 -0.11 -1.26 -4.97 118.94 122.02 1ir1 s TRP 4 Ca 0.11 0.59 -0.17 0.00 1.22 0.00 0.00 56.10 57.85 1ir1 s TRP 4 Cb -0.13 -3.78 -0.04 0.00 -1.50 0.00 0.00 33.47 28.01 1ir1 s TRP 4 CO 0.04 -3.04 0.86 -2.30 -4.62 0.00 0.00 176.95 167.89 1ir1 n PRO 5 N 5.69 0.70 -0.00 5.86 -0.02 -1.26 -4.97 135.00 140.99 1ir1 n PRO 5 Ca 0.14 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.93 1ir1 n PRO 5 Cb 0.43 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.96 0.00 -3.50 3.45 -2.24 -1.26 -4.91 114.28 103.85 1ir1 n THR 6 Ca 0.13 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.43 1ir1 n THR 6 Cb 0.48 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 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 -2.34 4.16 -1.28 -0.78 -0.21 -1.26 -4.43 119.66 113.51 1ir1 s GLN 7 Ca -0.02 0.22 -0.13 0.00 0.02 0.00 0.00 55.36 55.45 1ir1 s GLN 7 Cb 0.03 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.67 1ir1 s GLN 7 CO 0.21 0.34 0.57 0.09 -2.12 0.00 0.00 175.29 174.38 1ir1 n ASN 8 N 3.17 -2.71 -0.45 5.90 3.02 -1.26 -4.89 115.26 118.04 1ir1 n ASN 8 Ca -0.12 -1.07 0.07 0.00 -0.03 0.00 0.00 54.58 53.43 1ir1 n ASN 8 Cb 0.52 -2.87 0.19 0.00 -0.61 0.00 0.00 39.78 37.01 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 -4.43 1.48 -1.67 3.52 2.81 -1.26 -5.07 117.12 112.50 1ir1 n MET 9 Ca -0.20 -3.07 -0.40 0.00 -1.81 0.00 0.00 57.70 52.22 1ir1 n MET 9 Cb 0.63 -1.57 0.03 0.00 -0.71 0.00 0.00 33.22 31.60 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 -1.20 1.53 -4.57 0.03 4.76 -1.26 -5.01 118.16 112.44 1ir1 n LYS 10 Ca 0.18 0.55 -0.27 0.00 -2.87 0.00 0.00 58.31 55.90 1ir1 n LYS 10 Cb 0.68 -2.30 -0.11 0.00 -1.84 0.00 0.00 35.03 31.46 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 1.95 -0.23 1.97 1.81 -1.26 -5.08 118.95 115.68 1ir1 s ARG 11 Ca 0.67 -2.06 0.17 0.00 -1.72 0.00 0.00 55.73 52.79 1ir1 s ARG 11 Cb -0.48 -1.68 0.47 0.00 -0.45 0.00 0.00 34.95 32.82 1ir1 s ARG 11 CO 0.53 -0.02 1.16 0.66 -0.68 0.00 0.00 175.30 176.95 1ir1 n TYR 12 N -0.95 1.46 -4.74 -0.53 4.01 -1.26 -5.10 117.16 110.04 1ir1 n TYR 12 Ca -0.05 -1.89 0.00 0.00 -0.16 0.00 0.00 57.90 55.81 1ir1 n TYR 12 Cb 0.66 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.54 0.00 -1.71 -0.72 -0.58 -1.26 -4.55 120.64 111.28 1ir1 n GLU 13 Ca 0.20 0.00 -0.67 0.00 -0.42 0.00 0.00 57.16 56.28 1ir1 n GLU 13 Cb 0.89 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.66 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 0.00 -0.07 2.62 -1.04 -1.26 -1.50 114.28 113.03 1ir1 n THR 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ir1 n THR 14 Cb 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 3.80 0.00 0.00 -4.42 4.77 -1.26 -4.67 117.00 115.22 1ir1 n LEU 15 Ca 0.30 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.37 1ir1 n LEU 15 Cb -0.05 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 41.52 1ir1 n LEU 15 CO 0.87 0.00 0.78 -1.54 -1.33 0.00 0.00 177.39 176.17 1ir1 n SER 16 N 0.00 0.00 -0.94 -1.43 3.41 -0.56 -2.45 113.62 111.64 1ir1 n SER 16 Ca 0.00 -0.05 0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1ir1 n SER 16 Cb 0.00 -0.26 0.10 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 -1.26 0.03 -3.00 7.33 4.02 -1.26 -4.82 117.16 118.20 1ir1 n TYR 17 Ca 0.09 -0.01 -0.19 0.00 -0.01 0.00 0.00 57.90 57.78 1ir1 n TYR 17 Cb 0.14 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.48 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 -1.91 3.62 0.70 7.72 1.43 -1.03 -5.07 118.68 124.13 1ir1 s LEU 18 Ca 0.28 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1ir1 s LEU 18 Cb 0.20 -2.79 0.02 0.00 0.03 0.00 0.00 46.19 43.65 1ir1 s LEU 18 CO 0.29 -0.79 1.18 -2.84 0.23 0.00 0.00 176.35 174.42 1ir1 s PRO 19 N -4.45 2.41 0.22 1.29 0.02 -1.26 -4.88 135.00 128.35 1ir1 s PRO 19 Ca 0.53 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 1ir1 s PRO 19 Cb -0.10 -1.88 -0.15 0.00 0.02 0.00 0.00 34.50 32.39 1ir1 s PRO 19 CO 0.35 -1.61 1.07 -2.30 -0.33 0.00 0.00 177.00 174.17 1ir1 n PRO 20 N -2.51 1.16 -2.19 5.54 -0.02 -1.26 -4.88 135.00 130.84 1ir1 n PRO 20 Ca 0.13 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 1ir1 n PRO 20 Cb 0.51 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.73 4.40 0.87 2.45 1.43 -1.26 -5.02 118.68 122.28 1ir1 s LEU 21 Ca 0.67 2.40 -0.13 0.00 -1.03 0.00 0.00 54.13 56.05 1ir1 s LEU 21 Cb -0.80 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 41.95 1ir1 s LEU 21 CO 0.55 -0.57 1.23 0.42 0.23 0.00 0.00 176.35 178.21 1ir1 s THR 22 N 0.32 2.03 0.30 5.49 -4.23 -1.26 -4.82 115.64 113.48 1ir1 s THR 22 Ca 0.59 -0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 61.02 1ir1 s THR 22 Cb -0.37 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 70.76 1ir1 s THR 22 CO 0.37 0.00 1.97 0.74 -0.54 0.00 0.00 174.62 177.16 1ir1 h THR 23 N -1.29 1.21 -0.00 3.99 2.02 -2.00 -1.51 112.91 115.33 1ir1 h THR 23 Ca -0.44 -0.39 -0.21 0.00 0.77 0.00 0.00 66.41 66.13 1ir1 h THR 23 Cb 1.28 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1ir1 h THR 23 CO 0.49 0.20 -0.90 0.44 0.37 0.00 0.00 175.52 176.13 1ir1 h ASP 24 N 1.07 0.38 -0.28 4.18 3.32 -1.99 -2.69 116.42 120.40 1ir1 h ASP 24 Ca 0.29 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1ir1 h ASP 24 Cb -0.11 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1ir1 h ASP 24 CO -0.06 1.10 -0.30 1.56 -1.72 0.00 0.00 179.24 179.82 1ir1 h GLN 25 N 0.16 0.79 -0.35 3.56 4.20 -1.85 -1.75 115.11 119.88 1ir1 h GLN 25 Ca -0.06 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1ir1 h GLN 25 Cb 1.52 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1ir1 h GLN 25 CO 0.14 0.98 0.16 1.25 -0.67 0.00 0.00 178.83 180.70 1ir1 h LEU 26 N 0.67 0.47 -1.33 1.46 5.85 -1.29 -2.25 115.31 118.89 1ir1 h LEU 26 Ca 0.08 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1ir1 h LEU 26 Cb 0.83 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1ir1 h LEU 26 CO 0.07 0.48 0.31 0.00 -0.34 0.00 0.00 178.44 178.96 1ir1 h ALA 27 N 1.01 1.49 -0.13 1.25 0.00 -1.29 -2.09 119.26 119.50 1ir1 h ALA 27 Ca 0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1ir1 h ALA 27 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ir1 h ALA 27 CO -0.01 0.42 -0.37 0.00 0.00 0.00 0.00 179.25 179.29 1ir1 h ARG 28 N 0.78 0.27 -0.25 0.00 3.08 -0.92 -1.28 114.38 116.05 1ir1 h ARG 28 Ca 0.20 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1ir1 h ARG 28 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ir1 h ARG 28 CO -0.03 0.61 -0.48 1.96 -1.07 0.00 0.00 179.97 180.96 1ir1 h GLN 29 N 0.23 0.67 -0.47 0.04 1.08 -0.82 -1.92 115.11 113.92 1ir1 h GLN 29 Ca 0.02 -0.39 -0.13 0.00 -1.45 0.00 0.00 58.65 56.71 1ir1 h GLN 29 Cb 0.77 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 1ir1 h GLN 29 CO 0.06 1.00 -0.20 0.28 -0.95 0.00 0.00 178.83 179.02 1ir1 h VAL 30 N 0.53 1.27 -0.52 -0.54 2.07 -1.17 -2.39 116.25 115.50 1ir1 h VAL 30 Ca 0.03 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 1ir1 h VAL 30 Cb 1.02 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1ir1 h VAL 30 CO 0.10 0.47 0.11 0.44 0.02 0.00 0.00 177.57 178.70 1ir1 h ASP 31 N 0.83 0.76 -0.32 0.57 3.32 -1.12 -1.52 116.42 118.93 1ir1 h ASP 31 Ca 0.11 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1ir1 h ASP 31 Cb 0.76 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1ir1 h ASP 31 CO 0.06 0.75 0.17 0.22 -1.72 0.00 0.00 179.24 178.73 1ir1 h TYR 32 N 0.78 0.43 -0.08 4.55 3.20 -1.07 0.12 116.97 124.90 1ir1 h TYR 32 Ca 0.17 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 1ir1 h TYR 32 Cb 0.31 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1ir1 h TYR 32 CO 0.02 0.35 -0.38 1.37 -1.64 0.00 0.00 178.16 177.87 1ir1 h LEU 33 N 0.39 0.18 0.02 2.82 8.10 -1.09 -2.83 115.31 122.91 1ir1 h LEU 33 Ca 0.11 -0.07 -0.27 0.00 0.11 0.00 0.00 57.88 57.76 1ir1 h LEU 33 Cb 0.06 -0.05 0.02 0.00 -0.44 0.00 0.00 40.66 40.25 1ir1 h LEU 33 CO -0.02 0.55 -1.13 -0.07 -4.11 0.00 0.00 178.44 173.66 1ir1 h LEU 34 N 0.15 0.77 -2.11 0.17 3.38 -0.98 -2.34 115.31 114.35 1ir1 h LEU 34 Ca 0.02 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1ir1 h LEU 34 Cb 0.75 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1ir1 h LEU 34 CO 0.06 1.48 -0.03 0.78 0.09 0.00 0.00 178.44 180.82 1ir1 h ASN 35 N 0.28 0.00 -0.40 -0.43 2.35 -0.66 -0.36 115.58 116.36 1ir1 h ASN 35 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1ir1 h ASN 35 Cb 1.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1ir1 h ASN 35 CO 0.21 0.03 0.00 0.59 -1.65 0.00 0.00 177.43 176.61 1ir1 n ASN 36 N -3.21 2.42 -2.26 5.81 3.02 -1.08 -4.93 115.26 115.03 1ir1 n ASN 36 Ca -0.01 -1.94 -0.20 0.00 -0.03 0.00 0.00 54.58 52.40 1ir1 n ASN 36 Cb 0.21 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 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 0.81 -1.61 -3.03 3.52 4.76 -0.14 -4.99 118.16 117.48 1ir1 n LYS 37 Ca 0.16 1.00 -0.29 0.00 -2.87 0.00 0.00 58.31 56.31 1ir1 n LYS 37 Cb 0.40 -5.61 -0.03 0.00 -1.84 0.00 0.00 35.03 27.95 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 -2.99 3.49 -0.27 2.13 0.51 -0.88 -4.92 118.94 116.00 1ir1 s TRP 38 Ca 0.00 0.83 -0.18 0.00 -2.12 0.00 0.00 56.10 54.63 1ir1 s TRP 38 Cb 0.00 -2.27 -0.02 0.00 -0.81 0.00 0.00 33.47 30.36 1ir1 s TRP 38 CO 0.00 -0.02 0.53 0.08 -0.51 0.00 0.00 176.95 177.03 1ir1 s VAL 39 N -2.32 5.05 0.45 4.03 1.01 -0.09 -4.62 120.40 123.92 1ir1 s VAL 39 Ca 0.47 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.09 1ir1 s VAL 39 Cb -0.10 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 1ir1 s VAL 39 CO 0.33 0.04 1.06 -2.16 0.00 0.00 0.00 175.10 174.37 1ir1 s PRO 40 N 2.35 3.92 -0.20 2.72 0.04 -1.26 -0.47 135.00 142.10 1ir1 s PRO 40 Ca 0.22 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 1ir1 s PRO 40 Cb -0.16 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.15 1ir1 s PRO 40 CO 0.10 -0.35 0.66 0.00 0.04 0.00 0.00 177.00 177.45 1ir1 s LEU 42 N -0.06 3.61 0.03 0.00 1.02 -1.26 -0.76 118.68 121.26 1ir1 s LEU 42 Ca -0.03 0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.20 1ir1 s LEU 42 Cb -0.04 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 1ir1 s LEU 42 CO 0.03 0.30 -0.09 -1.61 0.02 0.00 0.00 176.35 175.00 1ir1 s GLU 43 N -1.48 0.61 0.05 1.70 2.02 -0.21 -1.00 118.70 120.38 1ir1 s GLU 43 Ca 0.19 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.61 1ir1 s GLU 43 Cb -0.12 -0.52 -0.03 0.00 0.10 0.00 0.00 34.13 33.57 1ir1 s GLU 43 CO 0.10 0.12 -0.05 -0.59 0.02 0.00 0.00 175.26 174.86 1ir1 s PHE 44 N -0.83 0.54 -0.09 1.61 -0.71 0.40 -0.24 117.98 118.66 1ir1 s PHE 44 Ca -0.03 -0.71 -0.06 0.00 -1.04 0.00 0.00 56.93 55.09 1ir1 s PHE 44 Cb -0.07 -0.35 0.03 0.00 -1.21 0.00 0.00 43.02 41.43 1ir1 s PHE 44 CO 0.00 -0.20 0.23 -2.00 -1.34 0.00 0.00 175.22 171.91 1ir1 s GLU 45 N -2.47 0.22 -0.10 1.99 2.56 -0.84 -0.67 118.70 119.40 1ir1 s GLU 45 Ca -0.04 0.42 0.06 0.00 0.00 0.00 0.00 54.97 55.41 1ir1 s GLU 45 Cb -0.03 -0.02 -0.10 0.00 2.00 0.00 0.00 34.13 35.98 1ir1 s GLU 45 CO -0.03 -0.11 -0.00 0.25 -0.56 0.00 0.00 175.26 174.81 1ir1 n THR 46 N 3.67 0.64 -0.04 -1.70 -2.24 -1.26 -1.17 114.28 112.17 1ir1 n THR 46 Ca -0.20 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.20 1ir1 n THR 46 Cb 0.55 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.88 3.42 3.32 -1.97 -3.45 116.42 113.85 1ir1 h ASP 47 Ca -0.25 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.09 1ir1 h ASP 47 Cb 1.53 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.74 1ir1 h ASP 47 CO 0.00 0.47 -0.36 -1.00 -1.72 0.00 0.00 179.24 176.63 1ir1 s HIS 48 N -1.73 3.48 -1.00 4.55 3.76 -1.26 -4.92 115.29 118.16 1ir1 s HIS 48 Ca -0.08 -2.50 0.25 0.00 -0.15 0.00 0.00 55.06 52.58 1ir1 s HIS 48 Cb 0.01 -3.30 1.05 0.00 1.11 0.00 0.00 32.58 31.45 1ir1 s HIS 48 CO 0.11 -0.90 1.79 0.41 -0.85 0.00 0.00 174.74 175.30 1ir1 n GLY 49 N 3.91 -1.35 3.14 -2.22 0.00 -1.26 -4.81 105.19 102.60 1ir1 n GLY 49 Ca 0.05 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.00 0.98 0.56 1.61 0.08 -1.26 -5.12 117.98 111.83 1ir1 s PHE 50 Ca 0.12 -0.54 -0.20 0.00 0.12 0.00 0.00 56.93 56.43 1ir1 s PHE 50 Cb 0.16 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 1ir1 s PHE 50 CO 0.45 -0.01 1.23 0.14 -0.10 0.00 0.00 175.22 176.93 1ir1 s VAL 51 N -1.69 2.58 0.34 -0.44 -7.23 -1.26 -4.79 120.40 107.91 1ir1 s VAL 51 Ca -0.02 0.39 -0.04 0.00 -1.81 0.00 0.00 61.98 60.50 1ir1 s VAL 51 Cb -0.08 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.71 1ir1 s VAL 51 CO 0.01 -0.05 0.52 0.00 -0.31 0.00 0.00 175.10 175.27 1ir1 n TYR 52 N -1.27 -1.58 -3.69 2.82 4.11 -0.73 -4.99 117.16 111.83 1ir1 n TYR 52 Ca 0.12 -2.14 -0.28 0.00 -0.00 0.00 0.00 57.90 55.59 1ir1 n TYR 52 Cb 0.48 0.60 -0.16 0.00 -0.00 0.00 0.00 39.34 40.26 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 -2.63 0.52 -0.04 -3.48 0.52 -1.26 -0.23 118.95 112.35 1ir1 s ARG 53 Ca 0.25 -0.53 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1ir1 s ARG 53 Cb -0.02 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1ir1 s ARG 53 CO 0.18 -0.77 -0.05 -1.91 0.02 0.00 0.00 175.30 172.76 1ir1 n GLU 54 N 5.07 0.10 0.08 3.54 2.13 -1.26 -4.83 120.64 125.46 1ir1 n GLU 54 Ca -0.07 0.04 0.12 0.00 0.66 0.00 0.00 57.16 57.91 1ir1 n GLU 54 Cb 0.45 -0.75 0.05 0.00 0.27 0.00 0.00 31.44 31.47 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 -0.13 0.00 -3.03 4.31 3.86 -2.00 -3.48 115.15 114.68 1ir1 h HIS 55 Ca -0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1ir1 h HIS 55 Cb 1.11 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.46 1ir1 h HIS 55 CO -0.01 0.00 0.16 -1.58 0.86 0.00 0.00 177.93 177.36 1ir1 s HIS 56 N -3.29 -0.49 0.00 2.45 2.46 -1.26 -5.06 115.29 110.10 1ir1 s HIS 56 Ca 0.02 0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.83 1ir1 s HIS 56 Cb 0.11 0.51 0.00 0.00 -0.13 0.00 0.00 32.58 33.07 1ir1 s HIS 56 CO 0.77 -0.82 0.31 -1.71 -2.47 0.00 0.00 174.74 170.82 1ir1 n ASN 57 N -0.31 0.61 -4.66 9.88 5.15 -1.26 -4.81 115.26 119.86 1ir1 n ASN 57 Ca -0.17 -1.01 -0.30 0.00 -0.60 0.00 0.00 54.58 52.50 1ir1 n ASN 57 Cb 0.65 0.00 0.17 0.00 -0.53 0.00 0.00 39.78 40.06 1ir1 n ASN 57 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ir1 s SER 58 N -0.01 2.85 0.24 1.20 1.04 -1.26 -4.90 113.70 112.86 1ir1 s SER 58 Ca 0.00 1.73 -0.31 0.00 0.48 0.00 0.00 55.95 57.85 1ir1 s SER 58 Cb 0.00 -2.35 -0.13 0.00 0.10 0.00 0.00 66.02 63.64 1ir1 s SER 58 CO 0.00 -3.07 1.46 -2.65 0.98 0.00 0.00 173.24 169.96 1ir1 n PRO 59 N -4.18 2.16 -0.73 4.02 -0.02 -1.26 -2.14 135.00 132.85 1ir1 n PRO 59 Ca 0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1ir1 n PRO 59 Cb 0.54 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 2.32 1.28 3.70 -1.23 0.00 -1.26 -5.00 105.19 104.99 1ir1 n GLY 60 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.44 3.37 -0.03 1.61 6.14 -0.91 -5.07 117.35 119.02 1ir1 s TYR 61 Ca 0.00 0.28 -0.13 0.00 0.64 0.00 0.00 57.07 57.86 1ir1 s TYR 61 Cb 0.00 -2.21 0.02 0.00 0.42 0.00 0.00 41.96 40.19 1ir1 s TYR 61 CO 0.00 0.19 0.28 0.71 0.64 0.00 0.00 175.55 177.37 1ir1 s TYR 62 N 0.67 -0.17 0.21 4.97 2.02 -1.26 -4.74 117.35 119.05 1ir1 s TYR 62 Ca 0.08 0.30 0.03 0.00 -0.37 0.00 0.00 57.07 57.11 1ir1 s TYR 62 Cb -0.12 0.07 -0.03 0.00 -0.40 0.00 0.00 41.96 41.48 1ir1 s TYR 62 CO 0.01 -0.33 0.35 -0.51 -1.57 0.00 0.00 175.55 173.50 1ir1 s ASP 63 N -1.04 6.33 0.00 2.29 1.01 0.68 -4.50 116.67 121.45 1ir1 s ASP 63 Ca -0.11 0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.31 1ir1 s ASP 63 Cb -0.05 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 41.98 1ir1 s ASP 63 CO 0.03 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 175.98 1ir1 n GLY 64 N -1.09 0.75 0.15 0.21 0.00 -1.26 -1.77 105.19 102.18 1ir1 n GLY 64 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 3.28 0.50 -6.31 1.61 3.08 -1.93 -3.41 114.38 111.20 1ir1 h ARG 65 Ca 0.00 -0.86 -0.55 0.00 0.07 0.00 0.00 59.98 58.65 1ir1 h ARG 65 Cb 0.00 0.32 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1ir1 h ARG 65 CO 0.00 1.41 0.37 0.71 -1.07 0.00 0.00 179.97 181.39 1ir1 s TYR 66 N -2.60 3.61 0.45 3.04 2.02 -1.26 -5.05 117.35 117.56 1ir1 s TYR 66 Ca -0.10 1.60 0.03 0.00 -0.37 0.00 0.00 57.07 58.23 1ir1 s TYR 66 Cb 0.04 -3.08 0.03 0.00 -0.40 0.00 0.00 41.96 38.55 1ir1 s TYR 66 CO 0.93 -0.05 0.24 0.91 -1.57 0.00 0.00 175.55 176.01 1ir1 n TRP 67 N 4.14 -0.21 -3.60 2.71 7.02 -1.26 -5.08 117.44 121.16 1ir1 n TRP 67 Ca 0.05 -1.98 -0.38 0.00 -1.02 0.00 0.00 57.50 54.17 1ir1 n TRP 67 Cb 0.51 -0.34 -0.06 0.00 -2.42 0.00 0.00 31.31 28.99 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 -2.35 5.16 0.02 -0.99 2.01 0.15 -4.87 115.64 114.78 1ir1 s THR 68 Ca 0.18 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 1ir1 s THR 68 Cb -0.01 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1ir1 s THR 68 CO 0.11 0.58 0.92 -0.32 -0.69 0.00 0.00 174.62 175.23 1ir1 s MET 69 N -1.01 4.57 -0.47 4.92 1.75 -1.26 -0.45 119.30 127.35 1ir1 s MET 69 Ca 0.21 1.33 -0.23 0.00 -1.25 0.00 0.00 55.69 55.75 1ir1 s MET 69 Cb -0.15 -3.43 0.03 0.00 2.84 0.00 0.00 34.83 34.12 1ir1 s MET 69 CO 0.11 0.06 0.78 -0.46 -0.65 0.00 0.00 175.02 174.86 1ir1 s TRP 70 N 0.64 2.97 0.00 4.11 -0.11 -0.17 -4.88 118.94 121.49 1ir1 s TRP 70 Ca 0.48 0.04 0.00 0.00 1.22 0.00 0.00 56.10 57.84 1ir1 s TRP 70 Cb -0.21 -3.69 0.00 0.00 -1.50 0.00 0.00 33.47 28.07 1ir1 s TRP 70 CO 0.27 -1.04 0.00 1.63 -4.62 0.00 0.00 176.95 173.18 1ir1 n LYS 71 N 6.75 0.00 -4.24 5.86 5.02 -1.26 -4.53 118.16 125.76 1ir1 n LYS 71 Ca 0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 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 2.21 0.41 -0.35 1.43 -1.26 -5.09 118.68 116.03 1ir1 s LEU 72 Ca 0.00 -1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 51.70 1ir1 s LEU 72 Cb 0.00 -0.10 -0.09 0.00 0.03 0.00 0.00 46.19 46.03 1ir1 s LEU 72 CO 0.00 -0.53 1.44 -2.84 0.23 0.00 0.00 176.35 174.65 1ir1 s PRO 73 N -3.89 3.90 -1.40 1.29 0.02 -1.26 -4.83 135.00 128.83 1ir1 s PRO 73 Ca 0.22 2.47 -0.12 0.00 0.02 0.00 0.00 61.00 63.59 1ir1 s PRO 73 Cb 0.06 -2.81 0.08 0.00 0.02 0.00 0.00 34.50 31.85 1ir1 s PRO 73 CO 0.03 -0.66 2.16 -1.33 -0.33 0.00 0.00 177.00 176.87 1ir1 n MET 74 N 0.13 3.24 -1.71 5.54 2.81 -0.21 -4.98 117.12 121.95 1ir1 n MET 74 Ca 0.03 -2.92 -0.43 0.00 -1.81 0.00 0.00 57.70 52.57 1ir1 n MET 74 Cb 0.41 -3.11 -0.02 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 5.00 2.55 -0.39 2.03 3.72 -1.26 -1.91 117.46 127.19 1ir1 n PHE 75 Ca 0.50 0.33 0.00 0.00 -0.05 0.00 0.00 57.45 58.23 1ir1 n PHE 75 Cb 0.36 -2.54 0.00 0.00 -0.94 0.00 0.00 39.48 36.37 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 2.17 2.08 3.73 1.37 0.00 -1.26 -5.00 105.19 108.27 1ir1 n GLY 76 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 3.53 0.00 -3.87 0.00 -2.24 -1.26 -4.98 114.28 105.46 1ir1 n THR 78 Ca 0.13 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.30 1ir1 n THR 78 Cb 0.38 1.34 -0.14 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.15 4.62 0.60 3.42 2.15 -1.26 -4.99 116.67 121.06 1ir1 s ASP 79 Ca 0.00 -0.67 0.33 0.00 0.43 0.00 0.00 52.55 52.64 1ir1 s ASP 79 Cb 0.00 -1.77 1.94 0.00 -0.30 0.00 0.00 42.92 42.79 1ir1 s ASP 79 CO 0.00 -0.12 2.27 1.55 -0.17 0.00 0.00 175.17 178.70 1ir1 h PRO 80 N 8.12 0.00 -0.09 4.34 0.13 -1.95 -1.76 132.00 140.79 1ir1 h PRO 80 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1ir1 h PRO 80 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1ir1 h PRO 80 CO 0.59 0.01 -0.22 0.00 -0.23 0.00 0.00 178.00 178.15 1ir1 h ALA 81 N 1.99 1.45 -0.34 -0.56 0.00 -1.99 -1.87 119.26 117.95 1ir1 h ALA 81 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1ir1 h ALA 81 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ir1 h ALA 81 CO 0.00 0.39 -0.24 1.96 0.00 0.00 0.00 179.25 181.37 1ir1 h GLN 82 N 0.15 0.66 -0.14 0.00 4.20 -1.75 -0.97 115.11 117.27 1ir1 h GLN 82 Ca 0.03 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 1ir1 h GLN 82 Cb 0.49 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1ir1 h GLN 82 CO 0.03 0.84 -0.26 0.28 -0.67 0.00 0.00 178.83 179.05 1ir1 h VAL 83 N 0.58 1.37 -0.09 -0.54 2.07 -1.53 -2.78 116.25 115.32 1ir1 h VAL 83 Ca 0.08 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 1ir1 h VAL 83 Cb 0.71 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1ir1 h VAL 83 CO 0.05 0.45 -0.05 -0.07 0.02 0.00 0.00 177.57 177.97 1ir1 h LEU 84 N 0.02 0.12 -0.21 2.57 4.07 -1.25 -2.16 115.31 118.47 1ir1 h LEU 84 Ca 0.01 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.89 1ir1 h LEU 84 Cb 0.85 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 1ir1 h LEU 84 CO 0.06 0.20 -0.10 -1.13 -1.08 0.00 0.00 178.44 176.38 1ir1 h ASN 85 N 0.13 0.45 -0.18 -0.43 -0.73 -1.10 -2.63 115.58 111.09 1ir1 h ASN 85 Ca 0.03 -0.41 -0.04 0.00 1.87 0.00 0.00 56.30 57.75 1ir1 h ASN 85 Cb 0.18 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 1ir1 h ASN 85 CO 0.01 0.76 -0.00 -0.33 -0.37 0.00 0.00 177.43 177.50 1ir1 h GLU 86 N 0.13 0.44 -0.38 6.67 4.39 -1.19 -1.40 114.58 123.24 1ir1 h GLU 86 Ca 0.05 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1ir1 h GLU 86 Cb 0.59 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1ir1 h GLU 86 CO 0.03 0.47 0.25 1.25 -1.16 0.00 0.00 179.01 179.85 1ir1 h LEU 87 N 0.43 0.43 -0.91 1.33 5.85 -1.25 0.17 115.31 121.36 1ir1 h LEU 87 Ca 0.09 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1ir1 h LEU 87 Cb 0.29 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1ir1 h LEU 87 CO 0.01 0.31 0.09 -0.33 -0.34 0.00 0.00 178.44 178.18 1ir1 h GLU 88 N 0.51 0.89 -0.31 1.25 4.39 -1.03 -0.30 114.58 119.98 1ir1 h GLU 88 Ca 0.14 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1ir1 h GLU 88 Cb -0.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1ir1 h GLU 88 CO -0.04 0.83 0.09 0.93 -1.16 0.00 0.00 179.01 179.66 1ir1 h GLU 89 N 0.84 0.49 -0.55 2.33 5.08 -0.68 -1.65 114.58 120.44 1ir1 h GLU 89 Ca 0.17 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1ir1 h GLU 89 Cb 0.38 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1ir1 h GLU 89 CO 0.01 0.54 0.23 0.00 -1.00 0.00 0.00 179.01 178.80 1ir1 h LYS 91 N 0.74 0.97 -0.32 0.00 1.57 -0.92 0.20 116.57 118.81 1ir1 h LYS 91 Ca 0.18 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1ir1 h LYS 91 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ir1 h LYS 91 CO -0.02 0.65 -0.35 -0.22 -0.57 0.00 0.00 179.45 178.94 1ir1 h LYS 92 N 0.99 0.73 0.00 3.15 3.64 -0.93 -2.01 116.57 122.13 1ir1 h LYS 92 Ca 0.26 -0.35 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1ir1 h LYS 92 Cb -0.09 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1ir1 h LYS 92 CO -0.05 0.97 -0.98 1.49 -2.27 0.00 0.00 179.45 178.60 1ir1 h GLU 93 N 0.61 0.00 -2.08 1.90 4.81 -1.00 -3.39 114.58 115.42 1ir1 h GLU 93 Ca 0.06 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.73 1ir1 h GLU 93 Cb 0.88 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.86 1ir1 h GLU 93 CO 0.08 0.60 -0.94 0.66 -0.73 0.00 0.00 179.01 178.68 1ir1 n TYR 94 N -3.17 1.31 0.31 0.92 4.01 0.68 -4.92 117.16 116.30 1ir1 n TYR 94 Ca -0.03 -3.82 0.14 0.00 -0.16 0.00 0.00 57.90 54.03 1ir1 n TYR 94 Cb 0.85 -0.43 0.63 0.00 -0.31 0.00 0.00 39.34 40.08 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 3.74 0.00 -0.65 -0.72 0.13 -1.58 -2.56 132.00 130.36 1ir1 h PRO 95 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 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 0.61 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.65 1ir1 n ASN 96 N -2.49 3.70 -4.63 1.44 6.94 -1.26 -4.59 115.26 114.37 1ir1 n ASN 96 Ca 0.00 -2.10 -0.23 0.00 -0.02 0.00 0.00 54.58 52.24 1ir1 n ASN 96 Cb 0.18 -0.46 -0.08 0.00 -2.36 0.00 0.00 39.78 37.06 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 -1.29 3.15 -0.01 -2.53 0.00 -0.96 -4.77 121.76 115.34 1ir1 s ALA 97 Ca 0.44 -1.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.44 1ir1 s ALA 97 Cb 0.24 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1ir1 s ALA 97 CO 0.28 0.21 0.64 -0.06 0.00 0.00 0.00 175.76 176.84 1ir1 s PHE 98 N -2.39 3.66 -0.10 0.00 0.40 -0.32 -3.88 117.98 115.35 1ir1 s PHE 98 Ca 0.32 1.24 0.03 0.00 -0.60 0.00 0.00 56.93 57.93 1ir1 s PHE 98 Cb -0.05 -2.68 -0.00 0.00 0.51 0.00 0.00 43.02 40.80 1ir1 s PHE 98 CO 0.19 0.28 -0.22 0.42 0.70 0.00 0.00 175.22 176.59 1ir1 s ILE 99 N 0.06 2.26 -0.04 0.64 1.01 -0.23 -1.98 121.20 122.92 1ir1 s ILE 99 Ca 0.33 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1ir1 s ILE 99 Cb -0.18 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 1ir1 s ILE 99 CO 0.18 0.55 -0.23 -0.60 0.00 0.00 0.00 174.94 174.85 1ir1 s ARG 100 N 0.31 2.30 -0.19 2.79 3.52 0.67 -0.58 118.95 127.77 1ir1 s ARG 100 Ca -0.17 -0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 54.53 1ir1 s ARG 100 Cb -0.17 -2.15 -0.02 0.00 -1.56 0.00 0.00 34.95 31.04 1ir1 s ARG 100 CO 0.08 0.54 -0.02 0.42 -0.81 0.00 0.00 175.30 175.51 1ir1 s ILE 101 N -0.55 3.85 0.26 4.11 1.01 -0.75 -1.05 121.20 128.10 1ir1 s ILE 101 Ca 0.08 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.45 1ir1 s ILE 101 Cb -0.11 -2.72 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1ir1 s ILE 101 CO 0.00 0.45 -0.10 0.27 0.00 0.00 0.00 174.94 175.56 1ir1 s ILE 102 N 0.84 1.79 -0.05 2.92 -4.36 0.06 -2.23 121.20 120.17 1ir1 s ILE 102 Ca -0.00 -2.18 -0.01 0.00 -0.26 0.00 0.00 60.65 58.20 1ir1 s ILE 102 Cb -0.14 -2.34 0.03 0.00 1.25 0.00 0.00 42.46 41.25 1ir1 s ILE 102 CO 0.02 -0.38 -0.00 -0.83 0.24 0.00 0.00 174.94 173.98 1ir1 s GLY 103 N -3.43 0.40 0.04 6.27 0.00 -0.53 -1.32 107.32 108.75 1ir1 s GLY 103 Ca 0.28 -0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.83 1ir1 s GLY 103 CO 0.11 0.90 0.43 -1.36 0.00 0.00 0.00 173.10 173.18 1ir1 s PHE 104 N 1.56 3.69 -0.40 1.90 0.08 0.38 -1.11 117.98 124.08 1ir1 s PHE 104 Ca -0.02 0.97 -0.05 0.00 0.12 0.00 0.00 56.93 57.95 1ir1 s PHE 104 Cb -0.13 -2.28 0.09 0.00 -0.57 0.00 0.00 43.02 40.13 1ir1 s PHE 104 CO -0.03 0.59 0.20 0.34 -0.10 0.00 0.00 175.22 176.21 1ir1 s ASP 105 N -1.32 5.36 0.50 1.36 -1.08 -0.68 -0.91 116.67 119.90 1ir1 s ASP 105 Ca 0.28 -1.68 0.32 0.00 -0.52 0.00 0.00 52.55 50.95 1ir1 s ASP 105 Cb -0.16 -1.88 1.38 0.00 -1.46 0.00 0.00 42.92 40.80 1ir1 s ASP 105 CO 0.16 -0.50 1.96 0.77 0.52 0.00 0.00 175.17 178.08 1ir1 h SER 106 N 8.20 0.00 0.11 -0.34 4.64 -1.91 0.48 113.55 124.73 1ir1 h SER 106 Ca -0.19 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.89 1ir1 h SER 106 Cb 1.07 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1ir1 h SER 106 CO 0.70 0.00 -1.02 0.78 -0.87 0.00 0.00 176.83 176.42 1ir1 h ASN 107 N 0.00 0.70 0.45 4.97 2.35 -1.96 -3.31 115.58 118.78 1ir1 h ASN 107 Ca 0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 56.30 54.90 1ir1 h ASN 107 Cb 0.43 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ir1 h ASN 107 CO 0.00 1.48 -1.06 0.54 -1.65 0.00 0.00 177.43 176.75 1ir1 n ARG 108 N -3.97 0.32 -3.53 0.81 1.74 -1.20 -4.99 116.66 105.85 1ir1 n ARG 108 Ca -0.13 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.75 1ir1 n ARG 108 Cb 0.89 -1.60 0.06 0.00 -1.02 0.00 0.00 32.46 30.78 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 -2.02 -4.72 -4.01 5.56 7.27 0.17 -5.02 117.38 114.61 1ir1 n GLN 109 Ca 0.02 0.73 -0.12 0.00 0.07 0.00 0.00 57.00 57.69 1ir1 n GLN 109 Cb 0.45 -5.43 -0.12 0.00 2.41 0.00 0.00 30.24 27.54 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 -3.50 0.27 -0.26 1.69 -7.23 -1.10 -4.97 120.40 105.31 1ir1 s VAL 110 Ca 0.12 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 59.29 1ir1 s VAL 110 Cb -0.02 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 36.58 1ir1 s VAL 110 CO 0.78 -0.29 1.02 -1.10 -0.31 0.00 0.00 175.10 175.19 1ir1 s GLN 111 N -1.07 4.20 0.00 4.82 -0.21 -1.26 -1.68 119.66 124.45 1ir1 s GLN 111 Ca -0.09 1.22 0.24 0.00 0.02 0.00 0.00 55.36 56.75 1ir1 s GLN 111 Cb -0.07 -3.67 0.27 0.00 1.00 0.00 0.00 33.01 30.54 1ir1 s GLN 111 CO -0.00 -0.68 1.25 0.00 -2.12 0.00 0.00 175.29 173.73 1ir1 s VAL 113 N -3.01 0.01 -0.30 0.00 1.01 -1.21 -4.97 120.40 111.93 1ir1 s VAL 113 Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1ir1 s VAL 113 Cb 0.17 -0.19 0.15 0.00 0.00 0.00 0.00 36.38 36.51 1ir1 s VAL 113 CO 0.75 -0.07 0.90 -0.55 0.00 0.00 0.00 175.10 176.13 1ir1 s SER 114 N -0.17 -0.72 -0.17 3.32 0.15 -1.25 -1.46 113.70 113.40 1ir1 s SER 114 Ca -0.02 1.01 -0.28 0.00 0.70 0.00 0.00 55.95 57.36 1ir1 s SER 114 Cb -0.02 1.78 0.08 0.00 -1.71 0.00 0.00 66.02 66.15 1ir1 s SER 114 CO 0.00 -0.14 0.73 0.72 1.20 0.00 0.00 173.24 175.75 1ir1 s PHE 115 N 2.46 -0.70 0.14 3.44 -0.12 -0.95 -4.51 117.98 117.75 1ir1 s PHE 115 Ca -0.04 1.48 -0.31 0.00 -0.05 0.00 0.00 56.93 58.01 1ir1 s PHE 115 Cb -0.07 0.34 -0.08 0.00 -0.63 0.00 0.00 43.02 42.58 1ir1 s PHE 115 CO -0.18 -0.47 1.32 0.42 -0.05 0.00 0.00 175.22 176.27 1ir1 s ILE 116 N -0.38 3.41 -0.04 -4.49 1.09 -1.26 -1.80 121.20 117.73 1ir1 s ILE 116 Ca -0.05 1.06 0.15 0.00 -1.10 0.00 0.00 60.65 60.71 1ir1 s ILE 116 Cb -0.03 -3.68 -0.22 0.00 -1.06 0.00 0.00 42.46 37.47 1ir1 s ILE 116 CO 0.04 0.11 0.33 0.00 -0.10 0.00 0.00 174.94 175.32 1ir1 n ALA 117 N 3.44 2.58 -3.36 9.38 0.00 0.25 -4.92 120.51 127.87 1ir1 n ALA 117 Ca 0.09 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1ir1 n ALA 117 Cb 0.43 -0.50 -0.10 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 -3.00 -0.45 -0.01 0.00 5.04 -1.04 -4.99 117.35 112.90 1ir1 s TYR 118 Ca -0.05 1.07 0.05 0.00 -2.44 0.00 0.00 57.07 55.69 1ir1 s TYR 118 Cb 0.09 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.56 1ir1 s TYR 118 CO 0.61 -0.23 -0.15 0.15 -1.34 0.00 0.00 175.55 174.58 1ir1 s LYS 119 N 0.45 1.28 0.54 4.97 1.02 -1.26 -1.07 119.74 125.67 1ir1 s LYS 119 Ca -0.02 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.33 1ir1 s LYS 119 Cb -0.04 -1.23 0.14 0.00 -0.52 0.00 0.00 37.83 36.18 1ir1 s LYS 119 CO -0.02 0.32 0.43 -0.35 -0.92 0.00 0.00 175.35 174.81 1ir1 n PRO 120 N 2.76 -2.23 -2.26 -1.68 -0.04 -1.25 -4.92 135.00 125.38 1ir1 n PRO 120 Ca -0.15 -0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 62.19 1ir1 n PRO 120 Cb 0.55 -0.71 -0.03 0.00 -0.04 0.00 0.00 33.50 33.27 1ir1 n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ir1 s ALA 121 N -2.77 3.57 0.00 0.55 0.00 -1.26 -3.47 121.76 118.38 1ir1 s ALA 121 Ca 0.29 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1ir1 s ALA 121 Cb -0.03 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1ir1 s ALA 121 CO 0.23 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1ir1 n GLY 122 N 3.59 0.93 0.00 0.00 0.00 -1.26 -5.18 105.19 103.27 1ir1 n GLY 122 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ir1 n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60