#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it5 s PRO 2 N 0.00 1.78 0.50 0.00 0.02 -1.26 -4.91 135.00 131.13 1it5 s PRO 2 Ca 0.00 1.76 0.16 0.00 0.02 0.00 0.00 61.00 62.94 1it5 s PRO 2 Cb 0.00 -1.79 1.22 0.00 0.02 0.00 0.00 34.50 33.94 1it5 s PRO 2 CO 0.00 -2.11 2.10 0.00 -0.33 0.00 0.00 177.00 176.66 1it5 h ALA 3 N -0.73 2.03 -0.43 -1.55 0.00 -2.04 -2.62 119.26 113.92 1it5 h ALA 3 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1it5 h ALA 3 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1it5 h ALA 3 CO 0.47 -0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 1it5 n ASP 4 N -4.50 3.44 -0.20 0.00 5.75 -1.26 -4.50 116.55 115.29 1it5 n ASP 4 Ca 0.01 -2.34 -0.02 0.00 -0.01 0.00 0.00 54.79 52.43 1it5 n ASP 4 Cb 0.18 -0.49 0.09 0.00 -1.03 0.00 0.00 41.12 39.87 1it5 n ASP 4 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1it5 h LYS 5 N 2.72 0.47 -0.70 0.11 3.64 -1.83 -0.57 116.57 120.41 1it5 h LYS 5 Ca 0.00 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1it5 h LYS 5 Cb 1.11 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1it5 h LYS 5 CO 0.18 0.31 0.46 -1.35 -2.27 0.00 0.00 179.45 176.78 1it5 h PRO 6 N 0.49 0.83 -0.09 1.90 0.11 -1.86 0.10 132.00 133.48 1it5 h PRO 6 Ca 0.28 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.14 1it5 h PRO 6 Cb 0.27 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1it5 h PRO 6 CO -0.23 0.55 -0.77 1.96 -0.21 0.00 0.00 178.00 179.29 1it5 h GLN 7 N 0.85 0.54 -0.47 1.05 7.50 -1.71 -2.12 115.11 120.75 1it5 h GLN 7 Ca 0.28 -0.46 -0.07 0.00 0.50 0.00 0.00 58.65 58.90 1it5 h GLN 7 Cb 0.05 0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 1it5 h GLN 7 CO -0.08 1.08 0.03 0.28 -1.50 0.00 0.00 178.83 178.65 1it5 h VAL 8 N 0.36 1.26 -0.67 -0.54 2.07 -0.58 -0.59 116.25 117.55 1it5 h VAL 8 Ca -0.04 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1it5 h VAL 8 Cb 1.37 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1it5 h VAL 8 CO 0.14 0.35 0.26 0.25 0.02 0.00 0.00 177.57 178.59 1it5 h LEU 9 N 0.67 0.91 -0.47 2.57 5.85 -0.96 -1.84 115.31 122.04 1it5 h LEU 9 Ca 0.14 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1it5 h LEU 9 Cb 0.46 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1it5 h LEU 9 CO 0.02 0.82 -0.04 0.00 -0.34 0.00 0.00 178.44 178.90 1it5 h ALA 10 N 1.31 0.64 -0.03 1.25 0.00 -1.10 -2.93 119.26 118.39 1it5 h ALA 10 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1it5 h ALA 10 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1it5 h ALA 10 CO -0.02 0.47 -0.10 0.77 0.00 0.00 0.00 179.25 180.37 1it5 h SER 11 N 0.70 0.04 0.64 0.00 0.02 -0.53 -2.08 113.55 112.35 1it5 h SER 11 Ca 0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1it5 h SER 11 Cb 0.56 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1it5 h SER 11 CO 0.03 0.16 -0.19 0.49 -1.14 0.00 0.00 176.83 176.17 1it5 n PHE 12 N -4.39 0.00 -1.92 3.45 3.72 -0.75 -4.22 117.46 113.35 1it5 n PHE 12 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 1it5 n PHE 12 Cb 0.19 -0.32 0.11 0.00 -0.94 0.00 0.00 39.48 38.52 1it5 n PHE 12 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1it5 n THR 13 N -1.33 2.09 -3.39 4.37 -2.24 -0.78 -4.75 114.28 108.26 1it5 n THR 13 Ca 0.09 -3.43 -0.22 0.00 -2.27 0.00 0.00 64.05 58.23 1it5 n THR 13 Cb 0.32 -0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1it5 n THR 13 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1it5 s GLN 14 N -3.16 3.24 0.22 -0.78 -1.52 -1.23 -4.62 119.66 111.81 1it5 s GLN 14 Ca 0.42 -0.65 0.25 0.00 -1.95 0.00 0.00 55.36 53.44 1it5 s GLN 14 Cb 0.38 -2.72 0.87 0.00 -0.22 0.00 0.00 33.01 31.33 1it5 s GLN 14 CO -0.03 0.05 1.76 0.25 -0.25 0.00 0.00 175.29 177.07 1it5 n THR 15 N -1.77 0.64 -1.31 -0.19 -2.24 -1.26 -4.58 114.28 103.58 1it5 n THR 15 Ca -0.02 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1it5 n THR 15 Cb 0.57 -0.74 0.09 0.00 -2.10 0.00 0.00 70.33 68.15 1it5 n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1it5 s SER 16 N -4.40 4.36 0.27 3.42 1.04 -1.26 -4.82 113.70 112.32 1it5 s SER 16 Ca 0.09 1.98 0.01 0.00 0.48 0.00 0.00 55.95 58.51 1it5 s SER 16 Cb 0.12 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 64.07 1it5 s SER 16 CO 0.54 -2.14 1.72 0.00 0.98 0.00 0.00 173.24 174.34 1it5 h ALA 17 N -0.88 1.09 -0.26 5.32 0.00 -1.99 -2.59 119.26 119.95 1it5 h ALA 17 Ca -0.45 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.07 1it5 h ALA 17 Cb 1.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1it5 h ALA 17 CO 0.50 0.56 -0.11 0.66 0.00 0.00 0.00 179.25 180.86 1it5 h SER 18 N 0.51 0.41 -0.26 0.00 4.64 -1.96 0.73 113.55 117.62 1it5 h SER 18 Ca 0.08 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1it5 h SER 18 Cb 0.63 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1it5 h SER 18 CO 0.04 0.56 -0.29 -1.28 -0.87 0.00 0.00 176.83 175.00 1it5 h SER 19 N 0.40 0.70 -0.71 4.97 0.87 -1.74 -1.10 113.55 116.95 1it5 h SER 19 Ca 0.08 -0.48 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 1it5 h SER 19 Cb 0.45 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1it5 h SER 19 CO 0.03 1.04 0.17 -0.61 -0.53 0.00 0.00 176.83 176.92 1it5 h GLN 20 N 0.38 1.13 -0.50 2.24 4.15 -1.10 -1.07 115.11 120.34 1it5 h GLN 20 Ca 0.04 -0.28 -0.07 0.00 0.77 0.00 0.00 58.65 59.11 1it5 h GLN 20 Cb 0.85 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1it5 h GLN 20 CO 0.07 1.00 0.03 -0.91 -1.93 0.00 0.00 178.83 177.09 1it5 h ASN 21 N 1.07 0.79 -0.37 -0.69 2.35 -0.77 0.74 115.58 118.70 1it5 h ASN 21 Ca 0.22 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1it5 h ASN 21 Cb 0.38 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1it5 h ASN 21 CO 0.00 0.84 -0.23 0.00 -1.65 0.00 0.00 177.43 176.39 1it5 h ALA 22 N 1.25 0.53 -0.52 -0.83 0.00 -0.93 -2.56 119.26 116.21 1it5 h ALA 22 Ca 0.15 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1it5 h ALA 22 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1it5 h ALA 22 CO 0.02 0.50 -0.13 2.35 0.00 0.00 0.00 179.25 181.99 1it5 h TRP 23 N 0.60 1.09 -0.90 0.00 7.01 -0.84 -2.43 115.95 120.49 1it5 h TRP 23 Ca 0.08 -0.23 -0.01 0.00 2.11 0.00 0.00 58.89 60.84 1it5 h TRP 23 Cb 0.79 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.53 1it5 h TRP 23 CO 0.06 1.03 0.54 -0.07 -2.79 0.00 0.00 178.44 177.21 1it5 h LEU 24 N 0.87 1.08 -0.69 0.65 3.38 -0.78 0.16 115.31 119.98 1it5 h LEU 24 Ca 0.13 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1it5 h LEU 24 Cb 0.68 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1it5 h LEU 24 CO 0.05 0.83 -0.04 0.00 0.09 0.00 0.00 178.44 179.38 1it5 h ALA 25 N 1.30 0.90 -0.45 1.53 0.00 -1.32 -2.33 119.26 118.87 1it5 h ALA 25 Ca 0.32 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1it5 h ALA 25 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1it5 h ALA 25 CO -0.06 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.75 1it5 h ALA 26 N 1.06 0.62 -0.63 0.00 0.00 -0.90 -2.31 119.26 117.10 1it5 h ALA 26 Ca 0.15 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1it5 h ALA 26 Cb 0.57 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1it5 h ALA 26 CO 0.03 0.50 0.41 -0.97 0.00 0.00 0.00 179.25 179.22 1it5 h ASN 27 N 0.70 0.61 1.38 0.00 -0.00 -0.51 0.14 115.58 117.90 1it5 h ASN 27 Ca 0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1it5 h ASN 27 Cb 0.63 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 1it5 h ASN 27 CO 0.04 0.41 -0.06 0.54 -0.00 0.00 0.00 177.43 178.36 1it5 n ARG 28 N -4.47 0.25 -2.59 6.67 1.74 -0.90 -3.82 116.66 113.55 1it5 n ARG 28 Ca 0.08 0.19 -0.14 0.00 -0.77 0.00 0.00 57.85 57.21 1it5 n ARG 28 Cb 0.16 -1.77 0.02 0.00 -1.02 0.00 0.00 32.46 29.85 1it5 n ARG 28 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1it5 n ASN 29 N -2.20 2.62 -0.35 0.55 3.02 -0.16 -4.93 115.26 113.80 1it5 n ASN 29 Ca 0.05 -2.95 0.12 0.00 -0.03 0.00 0.00 54.58 51.77 1it5 n ASN 29 Cb 0.43 -0.49 0.31 0.00 -0.61 0.00 0.00 39.78 39.42 1it5 n ASN 29 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1it5 h GLN 30 N 2.75 0.77 -0.23 3.52 4.20 -0.92 -1.12 115.11 124.09 1it5 h GLN 30 Ca 0.04 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1it5 h GLN 30 Cb 1.16 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1it5 h GLN 30 CO 0.56 0.51 0.16 0.66 -0.67 0.00 0.00 178.83 180.05 1it5 h SER 31 N 0.80 0.16 0.63 1.46 4.64 -1.92 0.34 113.55 119.66 1it5 h SER 31 Ca 0.57 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1it5 h SER 31 Cb 0.84 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1it5 h SER 31 CO -0.37 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 175.70 1it5 h ALA 32 N 1.87 1.00 -0.42 5.18 0.00 -1.56 -2.35 119.26 122.99 1it5 h ALA 32 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1it5 h ALA 32 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1it5 h ALA 32 CO -0.02 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.14 1it5 n TRP 33 N -2.45 0.78 -0.23 0.00 7.02 0.10 -4.69 117.44 117.97 1it5 n TRP 33 Ca 0.01 -0.59 0.20 0.00 -1.02 0.00 0.00 57.50 56.10 1it5 n TRP 33 Cb 0.20 -0.12 0.54 0.00 -2.42 0.00 0.00 31.31 29.52 1it5 n TRP 33 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1it5 h ALA 34 N 2.54 2.30 -0.29 6.99 0.00 -1.31 -1.15 119.26 128.33 1it5 h ALA 34 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1it5 h ALA 34 Cb 1.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1it5 h ALA 34 CO 0.08 -0.58 0.20 0.00 0.00 0.00 0.00 179.25 178.95 1it5 h ALA 35 N 1.61 2.07 0.00 0.00 0.00 -1.84 -2.11 119.26 118.98 1it5 h ALA 35 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1it5 h ALA 35 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1it5 h ALA 35 CO -0.16 -0.13 0.00 0.66 0.00 0.00 0.00 179.25 179.63 1it5 n TYR 36 N -4.48 0.77 -3.91 0.00 4.02 -0.44 -4.28 117.16 108.85 1it5 n TYR 36 Ca 0.03 0.23 -0.25 0.00 -0.01 0.00 0.00 57.90 57.90 1it5 n TYR 36 Cb 0.25 -0.87 -0.01 0.00 -0.02 0.00 0.00 39.34 38.69 1it5 n TYR 36 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1it5 n GLU 37 N -2.14 -3.44 -2.12 -0.72 1.02 -0.80 -4.92 120.64 107.54 1it5 n GLU 37 Ca 0.06 0.43 -0.32 0.00 -0.02 0.00 0.00 57.16 57.31 1it5 n GLU 37 Cb 0.41 -4.59 -0.01 0.00 -0.02 0.00 0.00 31.44 27.23 1it5 n GLU 37 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1it5 s PHE 38 N -3.91 3.33 -0.46 -0.32 0.08 -1.26 -5.00 117.98 110.45 1it5 s PHE 38 Ca 0.02 1.44 -0.23 0.00 0.12 0.00 0.00 56.93 58.28 1it5 s PHE 38 Cb -0.01 -2.84 0.03 0.00 -0.57 0.00 0.00 43.02 39.63 1it5 s PHE 38 CO 0.88 -0.71 0.77 0.34 -0.10 0.00 0.00 175.22 176.40 1it5 s ASP 39 N -3.29 6.39 -0.07 1.36 -1.08 -1.26 -4.90 116.67 113.82 1it5 s ASP 39 Ca 0.59 -0.17 0.19 0.00 -0.52 0.00 0.00 52.55 52.64 1it5 s ASP 39 Cb -0.12 -2.38 0.67 0.00 -1.46 0.00 0.00 42.92 39.63 1it5 s ASP 39 CO 0.40 -0.92 1.57 0.79 0.52 0.00 0.00 175.17 177.53 1it5 n TRP 40 N 6.70 1.28 -2.65 -5.34 7.02 -1.26 -4.78 117.44 118.41 1it5 n TRP 40 Ca 0.02 -0.54 -0.38 0.00 -1.02 0.00 0.00 57.50 55.58 1it5 n TRP 40 Cb 0.48 -0.16 -0.05 0.00 -2.42 0.00 0.00 31.31 29.16 1it5 n TRP 40 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1it5 s SER 41 N -0.91 7.24 -0.03 -0.99 1.04 -1.26 -5.04 113.70 113.74 1it5 s SER 41 Ca 0.49 2.00 -0.21 0.00 0.48 0.00 0.00 55.95 58.70 1it5 s SER 41 Cb 0.29 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.86 1it5 s SER 41 CO 0.27 -0.15 0.46 0.28 0.98 0.00 0.00 173.24 175.08 1it5 s THR 42 N -1.45 0.03 -1.50 2.02 -1.32 -1.26 -4.62 115.64 107.55 1it5 s THR 42 Ca 0.49 -0.28 0.17 0.00 -1.21 0.00 0.00 61.69 60.85 1it5 s THR 42 Cb -0.24 -0.77 0.45 0.00 -1.51 0.00 0.00 72.50 70.44 1it5 s THR 42 CO 0.30 -0.16 1.37 0.47 -2.21 0.00 0.00 174.62 174.40 1it5 n ASP 43 N 1.14 3.37 0.00 8.08 8.00 -1.26 -5.06 116.55 130.82 1it5 n ASP 43 Ca -0.21 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.31 1it5 n ASP 43 Cb 0.56 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1it5 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1it5 n LEU 44 N 1.07 0.00 -2.02 0.64 4.32 -1.26 -2.15 117.00 117.60 1it5 n LEU 44 Ca 0.18 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 56.12 1it5 n LEU 44 Cb 0.52 0.00 0.32 0.00 -1.62 0.00 0.00 43.42 42.64 1it5 n LEU 44 CO 0.12 0.00 1.03 0.00 -1.22 0.00 0.00 177.39 177.32 1it5 h THR 46 N 2.86 0.28 -0.52 0.00 1.35 -1.85 -2.26 112.91 112.77 1it5 h THR 46 Ca 0.24 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1it5 h THR 46 Cb 2.33 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1it5 h THR 46 CO 0.73 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 176.07 1it5 n GLN 47 N -3.32 3.53 -2.97 4.72 1.13 -1.26 -4.97 117.38 114.24 1it5 n GLN 47 Ca -0.01 -2.77 -0.18 0.00 -1.94 0.00 0.00 57.00 52.10 1it5 n GLN 47 Cb 0.26 -1.81 0.02 0.00 0.11 0.00 0.00 30.24 28.81 1it5 n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1it5 s ALA 48 N -1.97 4.31 1.20 -1.58 0.00 -0.85 -5.10 121.76 117.77 1it5 s ALA 48 Ca 0.45 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 1it5 s ALA 48 Cb 0.30 -1.77 0.28 0.00 0.00 0.00 0.00 23.12 21.94 1it5 s ALA 48 CO 0.20 -0.37 1.07 -2.14 0.00 0.00 0.00 175.76 174.51 1it5 s PRO 49 N -4.44 -1.19 0.72 0.00 0.02 -1.26 -4.96 135.00 123.89 1it5 s PRO 49 Ca 0.54 0.15 -0.16 0.00 0.02 0.00 0.00 61.00 61.56 1it5 s PRO 49 Cb -0.10 -1.58 0.03 0.00 0.02 0.00 0.00 34.50 32.87 1it5 s PRO 49 CO 0.34 -3.74 1.24 -0.25 -0.33 0.00 0.00 177.00 174.26 1it5 n ASP 50 N -4.82 1.54 -3.35 2.53 8.00 -1.26 -4.98 116.55 114.22 1it5 n ASP 50 Ca 0.10 0.72 -0.26 0.00 0.71 0.00 0.00 54.79 56.07 1it5 n ASP 50 Cb 0.59 -1.53 -0.08 0.00 -0.02 0.00 0.00 41.12 40.08 1it5 n ASP 50 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1it5 n ASN 51 N -2.46 0.95 -0.11 -2.24 2.85 -1.26 -5.00 115.26 108.00 1it5 n ASN 51 Ca 0.15 -2.81 0.17 0.00 -0.11 0.00 0.00 54.58 51.98 1it5 n ASN 51 Cb 0.49 -0.64 0.57 0.00 1.24 0.00 0.00 39.78 41.45 1it5 n ASN 51 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1it5 h PRO 52 N 4.55 0.26 -0.02 1.20 0.13 -2.00 -1.79 132.00 134.32 1it5 h PRO 52 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1it5 h PRO 52 Cb 0.83 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1it5 h PRO 52 CO 0.53 0.17 -0.05 1.19 -0.23 0.00 0.00 178.00 179.61 1it5 n PHE 53 N -4.44 0.00 -3.39 1.56 3.72 -1.26 -4.99 117.46 108.66 1it5 n PHE 53 Ca 0.13 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.34 1it5 n PHE 53 Cb 0.56 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.16 1it5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1it5 n GLY 54 N 1.29 -0.32 3.77 1.37 0.00 -0.68 -4.99 105.19 105.63 1it5 n GLY 54 Ca 0.15 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1it5 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1it5 s PHE 55 N -3.29 3.28 -1.14 1.61 0.08 -1.26 -4.91 117.98 112.35 1it5 s PHE 55 Ca 0.37 1.57 -0.22 0.00 0.12 0.00 0.00 56.93 58.76 1it5 s PHE 55 Cb -0.16 -3.45 -0.02 0.00 -0.57 0.00 0.00 43.02 38.82 1it5 s PHE 55 CO 0.63 -1.18 1.81 -1.25 -0.10 0.00 0.00 175.22 175.14 1it5 s PRO 56 N -1.76 3.07 0.00 0.24 0.04 -1.26 -4.72 135.00 130.61 1it5 s PRO 56 Ca 0.49 -1.22 0.21 0.00 0.04 0.00 0.00 61.00 60.51 1it5 s PRO 56 Cb -0.34 -5.31 0.19 0.00 0.04 0.00 0.00 34.50 29.08 1it5 s PRO 56 CO 0.45 -3.14 1.18 1.19 0.04 0.00 0.00 177.00 176.71 1it5 n PHE 57 N 11.89 0.06 -0.23 0.56 3.72 -1.26 -4.66 117.46 127.53 1it5 n PHE 57 Ca 0.43 -0.03 0.03 0.00 -0.05 0.00 0.00 57.45 57.83 1it5 n PHE 57 Cb 0.47 -0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.15 1it5 n PHE 57 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1it5 h ASN 58 N 4.04 -0.28 0.40 4.37 -0.26 -1.97 0.33 115.58 122.21 1it5 h ASN 58 Ca 0.00 0.17 -0.07 0.00 -0.56 0.00 0.00 56.30 55.84 1it5 h ASN 58 Cb 0.87 0.30 -0.01 0.00 -1.06 0.00 0.00 38.32 38.41 1it5 h ASN 58 CO 0.00 -0.14 -0.34 0.71 -1.06 0.00 0.00 177.43 176.61 1it5 h THR 59 N 0.13 1.16 -0.16 2.81 1.35 -1.99 0.47 112.91 116.68 1it5 h THR 59 Ca 0.37 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 65.01 1it5 h THR 59 Cb 0.63 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1it5 h THR 59 CO -0.59 0.33 -0.04 0.00 -0.25 0.00 0.00 175.52 174.97 1it5 h ALA 60 N 1.66 0.22 -0.78 6.62 0.00 -1.33 -2.21 119.26 123.45 1it5 h ALA 60 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1it5 h ALA 60 Cb 0.63 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1it5 h ALA 60 CO 0.04 -0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.70 1it5 h ALA 62 N 1.22 0.69 -0.03 0.00 0.00 -0.78 -0.03 119.26 120.32 1it5 h ALA 62 Ca 0.27 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1it5 h ALA 62 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1it5 h ALA 62 CO -0.04 0.14 -0.43 -0.09 0.00 0.00 0.00 179.25 178.83 1it5 h ARG 63 N 0.73 0.07 -0.43 0.00 2.43 -1.26 -1.03 114.38 114.90 1it5 h ARG 63 Ca 0.20 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 1it5 h ARG 63 Cb -0.07 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1it5 h ARG 63 CO -0.04 0.49 -0.26 1.25 -1.51 0.00 0.00 179.97 179.90 1it5 h HIS 64 N 0.06 1.09 -0.56 2.20 2.76 -0.85 -1.21 115.15 118.64 1it5 h HIS 64 Ca 0.00 -0.29 -0.03 0.00 -2.20 0.00 0.00 60.37 57.86 1it5 h HIS 64 Cb 0.79 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 1it5 h HIS 64 CO 0.00 1.10 0.23 -0.44 -1.30 0.00 0.00 177.93 177.53 1it5 h ASP 65 N 0.77 0.77 -0.16 3.26 3.32 -0.69 -1.22 116.42 122.48 1it5 h ASP 65 Ca 0.09 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.00 1it5 h ASP 65 Cb 0.84 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1it5 h ASP 65 CO 0.07 0.73 -0.01 0.15 -1.72 0.00 0.00 179.24 178.46 1it5 h PHE 66 N 0.77 -0.03 -0.08 4.55 3.57 -0.96 -0.51 116.94 124.26 1it5 h PHE 66 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1it5 h PHE 66 Cb 0.19 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1it5 h PHE 66 CO 0.01 -0.04 0.04 0.78 -2.23 0.00 0.00 178.31 176.87 1it5 h GLY 67 N 0.04 0.10 0.99 2.40 0.00 -0.94 -1.70 103.07 103.95 1it5 h GLY 67 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1it5 h GLY 67 CO -0.14 0.03 -0.32 -0.97 0.00 0.00 0.00 176.54 175.14 1it5 h TYR 68 N 0.09 -0.84 -0.78 5.60 -1.99 -1.04 -1.81 116.97 116.20 1it5 h TYR 68 Ca 0.03 -0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1it5 h TYR 68 Cb -0.00 0.28 -0.05 0.00 2.00 0.00 0.00 36.73 38.96 1it5 h TYR 68 CO -0.08 -0.51 0.50 0.00 -0.00 0.00 0.00 178.16 178.07 1it5 h ARG 69 N -0.88 0.95 0.00 4.88 3.08 -1.11 -1.03 114.38 120.27 1it5 h ARG 69 Ca -0.09 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.73 1it5 h ARG 69 Cb 0.68 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1it5 h ARG 69 CO 0.14 0.63 -0.82 -0.91 -1.07 0.00 0.00 179.97 177.94 1it5 h ASN 70 N 0.98 0.00 1.31 7.04 2.35 -1.33 -1.86 115.58 124.07 1it5 h ASN 70 Ca 0.31 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.93 1it5 h ASN 70 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1it5 h ASN 70 CO -0.11 0.82 -0.61 1.88 -1.65 0.00 0.00 177.43 177.76 1it5 h TYR 71 N 0.00 0.00 -0.14 1.19 0.05 -1.17 -2.28 116.97 114.62 1it5 h TYR 71 Ca -0.01 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.59 1it5 h TYR 71 Cb 1.51 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.25 1it5 h TYR 71 CO 0.00 0.61 -0.65 0.87 -1.05 0.00 0.00 178.16 177.93 1it5 h LYS 72 N 0.00 0.53 0.00 4.88 1.57 -1.13 -1.80 116.57 120.61 1it5 h LYS 72 Ca -0.01 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 1it5 h LYS 72 Cb 1.43 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1it5 h LYS 72 CO 0.08 1.00 -0.28 0.00 -0.57 0.00 0.00 179.45 179.68 1it5 h ALA 73 N 0.90 1.26 -0.01 3.86 0.00 -1.18 -2.03 119.26 122.07 1it5 h ALA 73 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1it5 h ALA 73 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1it5 h ALA 73 CO 0.12 0.35 -0.26 0.00 0.00 0.00 0.00 179.25 179.46 1it5 n ALA 74 N -2.36 3.06 -2.05 0.00 0.00 -0.87 -4.94 120.51 113.34 1it5 n ALA 74 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1it5 n ALA 74 Cb 0.37 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1it5 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1it5 n GLY 75 N 1.36 0.14 2.65 0.00 0.00 -0.76 -4.93 105.19 103.64 1it5 n GLY 75 Ca 0.11 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1it5 n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1it5 n SER 76 N 0.13 1.94 -0.02 1.61 3.41 -0.72 -4.96 113.62 115.01 1it5 n SER 76 Ca -0.12 -2.72 -0.12 0.00 -0.26 0.00 0.00 58.87 55.66 1it5 n SER 76 Cb 0.55 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1it5 n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1it5 h PHE 77 N 2.85 -0.06 -1.01 7.33 3.57 -1.87 -3.34 116.94 124.42 1it5 h PHE 77 Ca -0.05 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.68 1it5 h PHE 77 Cb 1.18 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.84 1it5 h PHE 77 CO 0.55 0.58 0.62 -0.44 -2.23 0.00 0.00 178.31 177.39 1it5 h ASP 78 N -0.85 0.63 1.42 0.41 3.32 -1.92 -0.18 116.42 119.25 1it5 h ASP 78 Ca -0.01 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1it5 h ASP 78 Cb 0.67 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1it5 h ASP 78 CO 0.01 0.17 -0.05 0.00 -1.72 0.00 0.00 179.24 177.65 1it5 n ALA 79 N -2.38 2.33 0.41 3.45 0.00 -1.26 -3.79 120.51 119.28 1it5 n ALA 79 Ca 0.25 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1it5 n ALA 79 Cb 0.72 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1it5 n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1it5 n ASN 80 N -2.24 0.51 -0.23 0.00 3.02 -0.48 -4.70 115.26 111.14 1it5 n ASN 80 Ca 0.05 -0.75 0.02 0.00 -0.03 0.00 0.00 54.58 53.87 1it5 n ASN 80 Cb 0.43 0.93 0.15 0.00 -0.61 0.00 0.00 39.78 40.68 1it5 n ASN 80 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1it5 h LYS 81 N 0.13 0.43 -0.17 3.52 3.64 -1.18 -2.30 116.57 120.64 1it5 h LYS 81 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1it5 h LYS 81 Cb 0.22 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1it5 h LYS 81 CO 0.00 0.29 0.02 1.03 -2.27 0.00 0.00 179.45 178.52 1it5 h SER 82 N 0.45 -0.02 -0.68 4.20 0.87 -1.84 -0.51 113.55 116.02 1it5 h SER 82 Ca 0.36 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.89 1it5 h SER 82 Cb 0.48 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1it5 h SER 82 CO -0.35 0.01 0.19 -0.09 -0.53 0.00 0.00 176.83 176.07 1it5 h ARG 83 N 0.08 1.07 -0.64 2.24 2.43 -1.82 -0.53 114.38 117.22 1it5 h ARG 83 Ca 0.08 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1it5 h ARG 83 Cb 0.08 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1it5 h ARG 83 CO -0.12 0.94 0.26 0.82 -1.51 0.00 0.00 179.97 180.36 1it5 h ILE 84 N 1.01 1.23 -0.60 1.20 1.08 -1.17 0.16 117.51 120.42 1it5 h ILE 84 Ca 0.22 -0.73 -0.07 0.00 -0.39 0.00 0.00 64.86 63.89 1it5 h ILE 84 Cb 0.33 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 1it5 h ILE 84 CO -0.00 0.29 0.11 0.44 -0.69 0.00 0.00 178.15 178.30 1it5 h ASP 85 N 0.89 0.94 -0.56 1.72 3.32 -0.85 -2.00 116.42 119.87 1it5 h ASP 85 Ca 0.21 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1it5 h ASP 85 Cb 0.20 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1it5 h ASP 85 CO -0.02 0.95 -0.03 0.28 -1.72 0.00 0.00 179.24 178.70 1it5 h SER 86 N 0.88 1.01 -0.55 6.45 0.02 -0.65 -2.19 113.55 118.52 1it5 h SER 86 Ca 0.18 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1it5 h SER 86 Cb 0.40 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1it5 h SER 86 CO 0.01 1.08 0.19 0.00 -1.14 0.00 0.00 176.83 176.96 1it5 h ALA 87 N 1.02 1.22 -0.25 3.77 0.00 -0.54 -0.48 119.26 124.00 1it5 h ALA 87 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1it5 h ALA 87 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1it5 h ALA 87 CO 0.03 0.55 0.15 0.35 0.00 0.00 0.00 179.25 180.34 1it5 h PHE 88 N 0.86 0.32 -0.55 0.00 3.57 -1.09 0.52 116.94 120.59 1it5 h PHE 88 Ca 0.20 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1it5 h PHE 88 Cb 0.25 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1it5 h PHE 88 CO 0.02 0.24 0.27 -0.92 -2.23 0.00 0.00 178.31 175.69 1it5 h TYR 89 N 0.31 0.79 -0.52 0.41 3.20 -0.89 -1.93 116.97 118.33 1it5 h TYR 89 Ca 0.09 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1it5 h TYR 89 Cb 0.01 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1it5 h TYR 89 CO -0.05 0.60 0.03 0.93 -1.64 0.00 0.00 178.16 178.04 1it5 h GLU 90 N 0.74 0.86 -0.67 1.82 4.39 -0.82 -0.51 114.58 120.39 1it5 h GLU 90 Ca 0.19 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1it5 h GLU 90 Cb 0.11 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1it5 h GLU 90 CO -0.03 0.84 0.22 -0.44 -1.16 0.00 0.00 179.01 178.45 1it5 h ASP 91 N 0.81 0.97 -0.35 1.42 3.32 -0.56 -1.66 116.42 120.37 1it5 h ASP 91 Ca 0.16 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.86 1it5 h ASP 91 Cb 0.44 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1it5 h ASP 91 CO 0.02 0.91 -0.32 0.24 -1.72 0.00 0.00 179.24 178.37 1it5 h MET 92 N 0.98 0.89 -0.17 3.56 2.86 -1.06 -2.92 114.93 119.06 1it5 h MET 92 Ca 0.22 -0.43 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1it5 h MET 92 Cb 0.28 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1it5 h MET 92 CO -0.01 1.08 -0.08 0.87 1.06 0.00 0.00 176.91 179.83 1it5 h LYS 93 N 0.74 0.26 -0.48 1.72 1.57 -0.82 -1.62 116.57 117.94 1it5 h LYS 93 Ca 0.08 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1it5 h LYS 93 Cb 0.90 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1it5 h LYS 93 CO 0.08 0.36 0.09 0.00 -0.57 0.00 0.00 179.45 179.41 1it5 h ARG 94 N 0.25 0.74 -0.27 3.15 3.08 -1.12 -2.29 114.38 117.93 1it5 h ARG 94 Ca 0.06 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1it5 h ARG 94 Cb 0.31 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1it5 h ARG 94 CO 0.01 0.69 0.08 0.28 -1.07 0.00 0.00 179.97 179.96 1it5 h VAL 95 N 0.71 1.20 0.00 2.04 2.07 -1.21 -3.06 116.25 118.00 1it5 h VAL 95 Ca 0.16 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1it5 h VAL 95 Cb 0.30 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1it5 h VAL 95 CO 0.00 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 1it5 n THR 97 N -3.89 1.09 1.69 0.00 -2.24 -0.95 -1.69 114.28 108.30 1it5 n THR 97 Ca -0.03 0.27 0.15 0.00 -2.27 0.00 0.00 64.05 62.17 1it5 n THR 97 Cb 0.12 -1.09 0.70 0.00 -2.10 0.00 0.00 70.33 67.96 1it5 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1it5 n GLY 98 N -0.37 -0.50 3.43 3.38 0.00 -0.85 -4.85 105.19 105.42 1it5 n GLY 98 Ca 0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1it5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1it5 s TYR 99 N -2.05 2.21 0.30 1.61 2.02 -0.68 -5.09 117.35 115.67 1it5 s TYR 99 Ca 0.41 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 1it5 s TYR 99 Cb 0.21 -1.04 -0.06 0.00 -0.40 0.00 0.00 41.96 40.67 1it5 s TYR 99 CO 0.36 0.56 -0.00 0.95 -1.57 0.00 0.00 175.55 175.85 1it5 s THR 100 N -2.09 1.39 0.00 -0.71 -4.23 -1.26 -4.42 115.64 104.32 1it5 s THR 100 Ca 0.24 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1it5 s THR 100 Cb -0.06 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1it5 s THR 100 CO 0.11 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1it5 n GLY 101 N -0.62 2.11 0.28 3.99 0.00 -1.26 -3.01 105.19 106.69 1it5 n GLY 101 Ca -0.04 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.59 1it5 n GLY 101 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1it5 h GLU 102 N 0.00 0.40 -1.00 1.61 4.81 -1.99 -1.26 114.58 117.14 1it5 h GLU 102 Ca 0.00 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1it5 h GLU 102 Cb 0.00 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 1it5 h GLU 102 CO 0.00 0.26 0.66 0.87 -0.73 0.00 0.00 179.01 180.07 1it5 h LYS 103 N 0.41 1.24 -0.41 1.92 1.57 -1.93 0.27 116.57 119.64 1it5 h LYS 103 Ca 0.44 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 1it5 h LYS 103 Cb 0.72 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1it5 h LYS 103 CO -0.45 0.82 0.16 -0.97 -0.57 0.00 0.00 179.45 178.44 1it5 h ASN 104 N 1.27 0.57 -0.58 0.86 -0.73 -1.16 0.14 115.58 115.96 1it5 h ASN 104 Ca 0.40 -0.17 -0.11 0.00 1.87 0.00 0.00 56.30 58.29 1it5 h ASN 104 Cb -0.00 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 1it5 h ASN 104 CO -0.12 0.59 -0.06 0.74 -0.37 0.00 0.00 177.43 178.21 1it5 h THR 105 N 0.52 1.27 -0.46 -3.57 2.02 -0.90 -1.03 112.91 110.75 1it5 h THR 105 Ca 0.14 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 65.98 1it5 h THR 105 Cb 0.20 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1it5 h THR 105 CO -0.01 0.44 -0.15 0.00 0.37 0.00 0.00 175.52 176.17 1it5 h ALA 106 N 0.96 0.86 -0.24 6.16 0.00 -0.31 -1.08 119.26 125.62 1it5 h ALA 106 Ca 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1it5 h ALA 106 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1it5 h ALA 106 CO 0.04 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.96 1it5 h ASN 108 N 0.20 0.20 -0.43 0.00 2.35 -1.08 -0.71 115.58 116.12 1it5 h ASN 108 Ca 0.07 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 1it5 h ASN 108 Cb 0.36 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1it5 h ASN 108 CO 0.01 0.39 -0.29 -1.28 -1.65 0.00 0.00 177.43 174.61 1it5 h SER 109 N 0.20 1.00 -0.38 5.81 0.87 -0.93 -1.11 113.55 119.01 1it5 h SER 109 Ca 0.04 -0.41 -0.15 0.00 -1.23 0.00 0.00 61.79 60.04 1it5 h SER 109 Cb 0.42 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1it5 h SER 109 CO 0.03 1.21 -0.34 0.74 -0.53 0.00 0.00 176.83 177.94 1it5 h THR 110 N 0.81 1.28 -0.80 2.23 2.02 -0.86 -1.68 112.91 115.89 1it5 h THR 110 Ca 0.09 -1.51 0.01 0.00 0.77 0.00 0.00 66.41 65.77 1it5 h THR 110 Cb 0.87 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1it5 h THR 110 CO 0.08 0.51 0.53 0.00 0.37 0.00 0.00 175.52 177.00 1it5 h ALA 111 N 0.77 1.03 -0.62 6.16 0.00 -1.02 -0.74 119.26 124.85 1it5 h ALA 111 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1it5 h ALA 111 Cb 0.93 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1it5 h ALA 111 CO 0.09 0.40 0.12 2.35 0.00 0.00 0.00 179.25 182.21 1it5 h TRP 112 N 1.07 1.07 -0.78 0.00 7.01 -1.02 -1.35 115.95 121.94 1it5 h TRP 112 Ca 0.30 -0.14 -0.05 0.00 2.11 0.00 0.00 58.89 61.11 1it5 h TRP 112 Cb -0.09 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.64 1it5 h TRP 112 CO -0.02 0.91 0.30 1.15 -2.79 0.00 0.00 178.44 177.99 1it5 h THR 113 N 0.92 1.26 -0.26 2.65 2.02 -0.68 0.66 112.91 119.48 1it5 h THR 113 Ca 0.19 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1it5 h THR 113 Cb 0.41 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1it5 h THR 113 CO 0.01 0.34 0.04 1.88 0.37 0.00 0.00 175.52 178.16 1it5 h TYR 114 N 1.14 0.46 -0.31 3.16 -1.99 -0.94 -2.01 116.97 116.48 1it5 h TYR 114 Ca 0.26 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1it5 h TYR 114 Cb 0.24 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 1it5 h TYR 114 CO 0.02 0.54 0.20 -0.92 -0.00 0.00 0.00 178.16 178.01 1it5 h TYR 115 N 0.25 0.40 -0.05 4.88 3.20 -0.92 -2.57 116.97 122.16 1it5 h TYR 115 Ca 0.08 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1it5 h TYR 115 Cb 0.33 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1it5 h TYR 115 CO 0.02 0.26 -0.15 1.96 -1.64 0.00 0.00 178.16 178.61 1it5 h GLN 116 N 0.42 0.07 0.00 1.82 1.08 -0.81 -0.76 115.11 116.93 1it5 h GLN 116 Ca 0.11 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1it5 h GLN 116 Cb -0.03 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1it5 h GLN 116 CO -0.02 0.23 0.00 0.00 -0.95 0.00 0.00 178.83 178.09 1it5 h ALA 117 N 1.78 1.00 0.00 3.87 0.00 -0.94 -2.11 119.26 122.86 1it5 h ALA 117 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1it5 h ALA 117 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1it5 h ALA 117 CO 0.02 0.00 -1.98 1.33 0.00 0.00 0.00 179.25 178.62 1it5 n VAL 118 N -2.72 0.75 0.25 0.00 0.24 -0.94 -4.34 118.33 111.57 1it5 n VAL 118 Ca 0.02 -0.58 0.12 0.00 -2.04 0.00 0.00 64.34 61.86 1it5 n VAL 118 Cb 0.29 -0.38 0.60 0.00 -1.47 0.00 0.00 33.84 32.88 1it5 n VAL 118 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1it5 h LYS 119 N 0.00 0.00 0.00 7.34 1.63 -0.98 -2.75 116.57 121.81 1it5 h LYS 119 Ca -0.30 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.49 1it5 h LYS 119 Cb 1.61 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.23 1it5 h LYS 119 CO 0.02 0.16 -0.05 0.97 -3.45 0.00 0.00 179.45 177.10 1it5 h ILE 120 N 0.00 0.25 0.00 2.00 -0.00 -1.58 -2.17 117.51 116.01 1it5 h ILE 120 Ca -0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 64.86 64.51 1it5 h ILE 120 Cb 0.55 1.27 0.00 0.00 -0.00 0.00 0.00 36.82 38.65 1it5 h ILE 120 CO 0.02 0.05 -0.04 0.49 -0.00 0.00 0.00 178.15 178.67 1it5 n PHE 121 N -3.34 0.23 0.00 2.19 3.72 -1.04 -5.15 117.46 114.08 1it5 n PHE 121 Ca -0.02 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1it5 n PHE 121 Cb 0.20 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 1it5 n PHE 121 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12