#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n LYS 2 N 0.00 0.00 0.00 0.00 4.01 -1.26 -5.18 118.16 115.73 3i1r n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i1r n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3i1r n LYS 2 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3i1r n LYS 3 N 0.00 0.00 -2.69 1.97 0.00 -1.26 -5.13 118.16 111.05 3i1r n LYS 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 3i1r n LYS 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3i1r n LYS 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3i1r s VAL 4 N 1.46 4.79 0.00 3.15 1.01 -1.26 -4.84 120.40 124.71 3i1r s VAL 4 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.02 3i1r s VAL 4 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3i1r s VAL 4 CO 0.00 0.03 0.00 1.67 0.00 0.00 0.00 175.10 176.80 3i1r n GLN 5 N 4.82 0.00 0.00 2.72 7.27 -1.26 -5.12 117.38 125.82 3i1r n GLN 5 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 3i1r n GLN 5 Cb 0.49 -0.14 0.00 0.00 2.41 0.00 0.00 30.24 33.00 3i1r n GLN 5 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i1r n ALA 6 N -2.55 0.00 0.00 1.69 0.00 -1.26 -4.71 120.51 113.68 3i1r n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 6 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3i1r n ALA 6 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3i1r n TYR 7 N 0.00 0.00 -3.08 0.00 0.18 -1.25 -2.60 117.16 110.41 3i1r n TYR 7 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3i1r n TYR 7 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3i1r n TYR 7 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 3i1r n VAL 8 N -0.36 0.00 -3.29 -3.48 0.24 -1.26 -4.88 118.33 105.30 3i1r n VAL 8 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 3i1r n VAL 8 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3i1r n VAL 8 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3i1r s LYS 9 N -0.25 0.42 -0.39 7.34 -2.85 -1.26 -4.20 119.74 118.55 3i1r s LYS 9 Ca 0.00 0.39 0.04 0.00 -1.00 0.00 0.00 55.97 55.40 3i1r s LYS 9 Cb 0.00 -0.24 0.16 0.00 -2.06 0.00 0.00 37.83 35.69 3i1r s LYS 9 CO 0.00 -0.86 0.41 -0.48 0.10 0.00 0.00 175.35 174.53 3i1r s LEU 10 N 2.60 -0.09 0.00 2.77 0.05 -1.26 -5.04 118.68 117.70 3i1r s LEU 10 Ca 0.12 -1.70 -0.03 0.00 0.05 0.00 0.00 54.13 52.57 3i1r s LEU 10 Cb -0.14 0.64 0.01 0.00 -2.05 0.00 0.00 46.19 44.65 3i1r s LEU 10 CO -0.24 -0.23 0.20 0.00 -0.55 0.00 0.00 176.35 175.53 3i1r n GLN 11 N 4.01 0.29 0.02 1.48 -0.00 -1.26 -4.88 117.38 117.04 3i1r n GLN 11 Ca 0.14 -0.73 0.00 0.00 -0.00 0.00 0.00 57.00 56.40 3i1r n GLN 11 Cb 0.47 0.82 0.00 0.00 -0.00 0.00 0.00 30.24 31.53 3i1r n GLN 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3i1r n VAL 12 N -0.17 0.11 -3.91 -0.39 0.24 -1.26 -5.01 118.33 107.95 3i1r n VAL 12 Ca -0.02 0.04 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 3i1r n VAL 12 Cb 0.18 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 31.84 3i1r n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1r s ALA 13 N -2.00 -0.10 -0.25 2.33 0.00 -1.26 -3.97 121.76 116.50 3i1r s ALA 13 Ca 0.00 -0.23 0.28 0.00 0.00 0.00 0.00 51.96 52.01 3i1r s ALA 13 Cb 0.00 0.06 1.06 0.00 0.00 0.00 0.00 23.12 24.25 3i1r s ALA 13 CO 0.00 -0.14 1.83 0.00 0.00 0.00 0.00 175.76 177.45 3i1r h ALA 14 N 4.93 1.00 -0.43 0.00 0.00 -1.68 -3.21 119.26 119.86 3i1r h ALA 14 Ca -0.30 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3i1r h ALA 14 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3i1r h ALA 14 CO 0.42 0.00 0.20 0.78 0.00 0.00 0.00 179.25 180.65 3i1r h GLY 15 N 2.58 0.59 -6.50 0.00 0.00 -1.81 -3.18 103.07 94.75 3i1r h GLY 15 Ca 0.00 -0.13 -0.77 0.00 0.00 0.00 0.00 47.33 46.43 3i1r h GLY 15 CO 0.00 0.08 0.59 1.03 0.00 0.00 0.00 176.54 178.24 3i1r n MET 16 N -4.94 4.46 -1.67 4.80 2.81 -1.21 -4.95 117.12 116.41 3i1r n MET 16 Ca 0.03 -4.63 -0.38 0.00 -1.81 0.00 0.00 57.70 50.90 3i1r n MET 16 Cb 0.13 -2.45 0.05 0.00 -0.71 0.00 0.00 33.22 30.23 3i1r n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1r n ALA 17 N 0.72 0.81 -3.86 3.04 0.00 -1.20 -3.66 120.51 116.36 3i1r n ALA 17 Ca 0.33 0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 3i1r n ALA 17 Cb 0.32 -2.22 0.03 0.00 0.00 0.00 0.00 19.45 17.58 3i1r n ALA 17 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1r n ASN 18 N -0.81 -4.65 -4.70 0.00 5.15 -1.26 -4.98 115.26 104.01 3i1r n ASN 18 Ca 0.12 -1.14 -0.29 0.00 -0.60 0.00 0.00 54.58 52.67 3i1r n ASN 18 Cb 0.45 -2.62 0.14 0.00 -0.53 0.00 0.00 39.78 37.22 3i1r n ASN 18 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3i1r s PRO 19 N -6.64 0.98 0.04 1.20 0.04 -1.24 -5.04 135.00 124.34 3i1r s PRO 19 Ca 0.47 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.75 3i1r s PRO 19 Cb -0.21 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3i1r s PRO 19 CO 0.91 -2.29 0.00 0.45 0.04 0.00 0.00 177.00 176.11 3i1r n SER 20 N -3.82 0.42 -0.22 6.66 2.88 -1.26 -3.53 113.62 114.75 3i1r n SER 20 Ca 0.07 0.05 -0.06 0.00 -1.33 0.00 0.00 58.87 57.60 3i1r n SER 20 Cb 0.59 -0.13 0.04 0.00 -0.75 0.00 0.00 64.21 63.96 3i1r n SER 20 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3i1r h PRO 21 N 0.00 0.84 0.00 -1.46 0.11 -1.98 0.14 132.00 129.65 3i1r h PRO 21 Ca 0.00 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3i1r h PRO 21 Cb 0.62 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.55 3i1r h PRO 21 CO 0.00 0.62 -0.15 -1.35 -0.21 0.00 0.00 178.00 176.92 3i1r h PRO 22 N 0.83 0.00 0.00 1.05 0.11 -2.02 -3.43 132.00 128.53 3i1r h PRO 22 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3i1r h PRO 22 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3i1r h PRO 22 CO -0.04 0.15 0.00 1.33 -0.21 0.00 0.00 178.00 179.23 3i1r n VAL 23 N -3.37 0.00 0.00 3.15 0.24 -1.04 -5.02 118.33 112.29 3i1r n VAL 23 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1r n VAL 23 Cb 0.35 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 3i1r n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1r n GLY 24 N 1.47 1.99 0.28 7.63 0.00 0.46 -2.75 105.19 114.28 3i1r n GLY 24 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3i1r n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i1r h PRO 25 N 0.00 0.67 0.00 1.61 0.11 -1.93 -3.07 132.00 129.39 3i1r h PRO 25 Ca 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3i1r h PRO 25 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 3i1r h PRO 25 CO 0.00 0.70 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 3i1r h ALA 26 N 1.36 1.00 0.00 -0.75 0.00 -1.90 -3.13 119.26 115.84 3i1r h ALA 26 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i1r h ALA 26 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3i1r h ALA 26 CO 0.02 0.00 0.00 1.37 0.00 0.00 0.00 179.25 180.64 3i1r h LEU 27 N 0.00 0.00 -5.56 0.00 8.10 -1.69 -3.42 115.31 112.74 3i1r h LEU 27 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 3i1r h LEU 27 Cb 0.62 0.00 -0.18 0.00 -0.44 0.00 0.00 40.66 40.66 3i1r h LEU 27 CO 0.00 0.00 -0.29 -0.83 -4.11 0.00 0.00 178.44 173.21 3i1r s GLY 28 N -3.71 -1.42 -0.45 0.17 0.00 -1.18 -4.99 107.32 95.74 3i1r s GLY 28 Ca 0.07 0.67 0.05 0.00 0.00 0.00 0.00 44.72 45.51 3i1r s GLY 28 CO 0.53 3.98 0.41 -0.18 0.00 0.00 0.00 173.10 177.84 3i1r n GLN 29 N 3.95 0.58 0.00 2.90 7.27 -1.25 -4.38 117.38 126.44 3i1r n GLN 29 Ca 0.09 -3.39 0.00 0.00 0.07 0.00 0.00 57.00 53.77 3i1r n GLN 29 Cb 0.60 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.59 3i1r n GLN 29 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i1r n GLN 30 N 2.35 0.00 0.00 3.69 0.00 -1.26 -4.93 117.38 117.22 3i1r n GLN 30 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.27 3i1r n GLN 30 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.71 3i1r n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1r n GLY 31 N 0.00 -0.25 3.36 2.61 0.00 -1.26 -5.05 105.19 104.60 3i1r n GLY 31 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i1r n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1r s VAL 32 N 0.00 3.52 -0.30 1.61 1.01 -1.26 -4.16 120.40 120.82 3i1r s VAL 32 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3i1r s VAL 32 Cb 0.00 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3i1r s VAL 32 CO 0.00 0.44 1.03 0.21 0.00 0.00 0.00 175.10 176.78 3i1r s ASN 33 N 1.20 6.94 0.20 3.32 3.84 -1.26 -4.33 114.94 124.85 3i1r s ASN 33 Ca 0.03 1.08 0.11 0.00 0.21 0.00 0.00 52.86 54.28 3i1r s ASN 33 Cb -0.14 -2.53 0.62 0.00 -0.55 0.00 0.00 41.25 38.65 3i1r s ASN 33 CO -0.01 -0.80 1.29 -0.38 -2.79 0.00 0.00 177.10 174.41 3i1r n ILE 34 N 5.71 1.16 -0.03 -5.21 2.08 -1.26 -0.51 119.36 121.29 3i1r n ILE 34 Ca 0.11 0.65 0.01 0.00 0.56 0.00 0.00 62.75 64.09 3i1r n ILE 34 Cb 0.47 -1.65 -0.10 0.00 -0.75 0.00 0.00 39.64 37.61 3i1r n ILE 34 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 3i1r n MET 35 N -1.89 1.06 0.00 0.38 1.56 -1.26 -4.41 117.12 112.56 3i1r n MET 35 Ca -0.01 -0.07 0.14 0.00 -0.27 0.00 0.00 57.70 57.48 3i1r n MET 35 Cb 0.13 -1.31 0.52 0.00 2.15 0.00 0.00 33.22 34.71 3i1r n MET 35 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3i1r n GLU 36 N -2.15 0.23 -0.18 2.12 0.00 0.33 -3.53 120.64 117.47 3i1r n GLU 36 Ca -0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 57.16 56.99 3i1r n GLU 36 Cb 0.56 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.56 3i1r n GLU 36 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3i1r n PHE 37 N -1.33 0.43 -0.53 4.31 -0.00 -0.72 -3.03 117.46 116.60 3i1r n PHE 37 Ca 0.09 -0.38 0.00 0.00 -0.00 0.00 0.00 57.45 57.16 3i1r n PHE 37 Cb 0.32 -0.25 0.00 0.00 -0.00 0.00 0.00 39.48 39.54 3i1r n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i1r n LYS 39 N -0.25 0.11 0.09 0.00 3.00 -1.17 -4.34 118.16 115.61 3i1r n LYS 39 Ca 0.00 0.04 0.02 0.00 -0.00 0.00 0.00 58.31 58.37 3i1r n LYS 39 Cb 0.38 -0.57 0.36 0.00 0.00 0.00 0.00 35.03 35.21 3i1r n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1r h ALA 40 N -0.95 1.45 0.57 3.14 0.00 -1.90 0.71 119.26 122.28 3i1r h ALA 40 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3i1r h ALA 40 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i1r h ALA 40 CO 0.00 0.38 -0.27 0.35 0.00 0.00 0.00 179.25 179.71 3i1r h PHE 41 N 0.29 -0.70 0.00 0.00 3.57 -1.85 -2.95 116.94 115.29 3i1r h PHE 41 Ca 0.06 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3i1r h PHE 41 Cb 0.39 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3i1r h PHE 41 CO 0.01 -0.44 0.00 0.09 -2.23 0.00 0.00 178.31 175.74 3i1r n ASN 42 N -4.48 0.00 0.20 0.41 3.02 -1.19 -0.41 115.26 112.80 3i1r n ASN 42 Ca -0.09 -0.22 0.14 0.00 -0.03 0.00 0.00 54.58 54.38 3i1r n ASN 42 Cb 0.30 -0.12 0.50 0.00 -0.61 0.00 0.00 39.78 39.85 3i1r n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1r h ALA 43 N 2.79 1.00 0.00 5.41 0.00 -0.67 -3.24 119.26 124.55 3i1r h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1r h ALA 43 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i1r h ALA 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.42 3i1r n LYS 44 N -2.69 0.00 -0.09 0.00 3.00 -0.62 -4.68 118.16 113.07 3i1r n LYS 44 Ca 0.02 -0.09 -0.18 0.00 -0.00 0.00 0.00 58.31 58.06 3i1r n LYS 44 Cb 0.33 -0.49 -0.11 0.00 0.00 0.00 0.00 35.03 34.77 3i1r n LYS 44 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3i1r h THR 45 N 1.39 0.98 0.00 3.15 2.02 -0.81 -3.33 112.91 116.30 3i1r h THR 45 Ca 0.00 -2.06 -0.04 0.00 0.77 0.00 0.00 66.41 65.07 3i1r h THR 45 Cb 0.60 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 3i1r h THR 45 CO 0.00 0.33 -0.20 0.44 0.37 0.00 0.00 175.52 176.46 3i1r h ASP 46 N -1.00 0.00 -0.32 4.18 3.45 -1.81 -2.33 116.42 118.59 3i1r h ASP 46 Ca -0.23 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.29 3i1r h ASP 46 Cb 1.13 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.84 3i1r h ASP 46 CO -0.14 0.20 -0.07 -1.28 -1.57 0.00 0.00 179.24 176.38 3i1r h SER 47 N 0.00 -0.27 0.00 6.45 0.87 -1.77 -3.38 113.55 115.45 3i1r h SER 47 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3i1r h SER 47 Cb 0.68 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 3i1r h SER 47 CO 0.03 -0.10 0.00 2.30 -0.53 0.00 0.00 176.83 178.53 3i1r n ILE 48 N -5.25 0.00 -3.56 2.23 -5.35 -1.19 -5.11 119.36 101.13 3i1r n ILE 48 Ca 0.00 0.27 -0.06 0.00 -0.27 0.00 0.00 62.75 62.69 3i1r n ILE 48 Cb 0.18 -1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 36.92 3i1r n ILE 48 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3i1r s GLU 49 N -0.53 0.61 -0.05 6.28 -6.30 -0.88 -5.11 118.70 112.70 3i1r s GLU 49 Ca 0.00 -0.24 0.05 0.00 -2.50 0.00 0.00 54.97 52.28 3i1r s GLU 49 Cb 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 34.13 34.40 3i1r s GLU 49 CO 0.00 -0.27 -0.20 0.15 0.02 0.00 0.00 175.26 174.97 3i1r s LYS 50 N -2.80 2.12 0.00 4.30 3.01 -1.26 -4.68 119.74 120.43 3i1r s LYS 50 Ca 0.08 -0.70 0.00 0.00 -1.01 0.00 0.00 55.97 54.33 3i1r s LYS 50 Cb -0.01 -1.79 0.00 0.00 -1.01 0.00 0.00 37.83 35.03 3i1r s LYS 50 CO -0.06 0.26 0.00 0.41 0.51 0.00 0.00 175.35 176.47 3i1r n GLY 51 N 3.18 0.96 3.69 -3.33 0.00 -1.26 -4.51 105.19 103.91 3i1r n GLY 51 Ca -0.18 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3i1r n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1r s LEU 52 N 0.00 4.32 0.19 0.99 1.02 -1.26 -3.94 118.68 120.00 3i1r s LEU 52 Ca 0.00 2.12 -0.32 0.00 0.02 0.00 0.00 54.13 55.94 3i1r s LEU 52 Cb 0.00 -3.56 -0.15 0.00 0.02 0.00 0.00 46.19 42.50 3i1r s LEU 52 CO 0.00 -0.70 1.25 -2.65 0.02 0.00 0.00 176.35 174.27 3i1r n PRO 53 N 5.20 1.43 -3.58 1.29 -0.02 -1.25 -3.93 135.00 134.13 3i1r n PRO 53 Ca 0.13 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 3i1r n PRO 53 Cb 0.44 -2.06 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 3i1r n PRO 53 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i1r s ILE 54 N -0.11 0.26 0.66 4.25 1.01 -1.26 -3.79 121.20 122.21 3i1r s ILE 54 Ca 0.72 -1.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 3i1r s ILE 54 Cb -0.79 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 40.50 3i1r s ILE 54 CO 0.51 -0.78 0.98 -2.16 0.00 0.00 0.00 174.94 173.49 3i1r s PRO 55 N 1.70 2.52 -0.06 2.79 0.04 -1.26 -4.92 135.00 135.81 3i1r s PRO 55 Ca 0.11 -0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.75 3i1r s PRO 55 Cb -0.18 -2.20 0.11 0.00 0.04 0.00 0.00 34.50 32.27 3i1r s PRO 55 CO -0.25 -1.01 0.91 0.54 0.04 0.00 0.00 177.00 177.22 3i1r s VAL 56 N -3.15 0.00 1.07 -0.36 0.11 -1.26 -4.82 120.40 111.98 3i1r s VAL 56 Ca 0.58 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.46 3i1r s VAL 56 Cb -0.11 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.82 3i1r s VAL 56 CO 0.45 0.00 0.09 0.52 -3.33 0.00 0.00 175.10 172.84 3i1r n VAL 57 N 0.21 0.00 -3.03 2.04 0.31 -1.26 -4.34 118.33 112.26 3i1r n VAL 57 Ca -0.10 -0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 63.81 3i1r n VAL 57 Cb 0.60 -0.59 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 3i1r n VAL 57 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i1r n ILE 58 N -4.15 -0.02 -1.60 2.52 2.08 -1.14 -4.14 119.36 112.91 3i1r n ILE 58 Ca 0.02 -3.70 -0.14 0.00 0.56 0.00 0.00 62.75 59.49 3i1r n ILE 58 Cb 0.60 0.24 -0.07 0.00 -0.75 0.00 0.00 39.64 39.65 3i1r n ILE 58 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3i1r s THR 59 N -1.85 3.04 -0.14 1.39 2.01 0.17 -3.82 115.64 116.44 3i1r s THR 59 Ca 0.34 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 3i1r s THR 59 Cb 0.35 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3i1r s THR 59 CO -0.06 -0.08 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.10 3i1r s VAL 60 N 14.88 4.25 0.00 3.82 1.01 -1.26 -3.21 120.40 139.89 3i1r s VAL 60 Ca 0.90 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3i1r s VAL 60 Cb -0.11 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3i1r s VAL 60 CO 0.09 0.52 0.00 -1.22 0.00 0.00 0.00 175.10 174.49 3i1r n TYR 61 N 3.08 0.00 -1.11 5.22 0.53 -1.26 -4.60 117.16 119.02 3i1r n TYR 61 Ca -0.18 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.73 3i1r n TYR 61 Cb 0.53 0.00 0.03 0.00 -1.03 0.00 0.00 39.34 38.87 3i1r n TYR 61 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i1r n ALA 62 N -3.00 1.79 -1.58 -0.72 0.00 -1.26 -4.92 120.51 110.82 3i1r n ALA 62 Ca 0.00 -1.23 -0.31 0.00 0.00 0.00 0.00 53.44 51.90 3i1r n ALA 62 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 3i1r n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1r n ASP 63 N -0.42 7.08 0.00 0.00 9.92 -1.26 -4.95 116.55 126.91 3i1r n ASP 63 Ca 0.04 -3.02 0.00 0.00 -0.53 0.00 0.00 54.79 51.27 3i1r n ASP 63 Cb 0.54 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 3i1r n ASP 63 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3i1r n ARG 64 N 1.66 0.00 0.00 -1.24 3.00 -1.26 -4.69 116.66 114.13 3i1r n ARG 64 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 3i1r n ARG 64 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 3i1r n ARG 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3i1r n SER 65 N 9.34 0.00 -3.50 6.15 7.64 -1.26 -4.86 113.62 127.13 3i1r n SER 65 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3i1r n SER 65 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3i1r n SER 65 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 3i1r s PHE 66 N 0.00 -0.52 -0.18 1.43 -0.12 -1.26 -4.72 117.98 112.61 3i1r s PHE 66 Ca 0.00 0.65 -0.00 0.00 -0.05 0.00 0.00 56.93 57.52 3i1r s PHE 66 Cb 0.00 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.88 3i1r s PHE 66 CO 0.00 -0.62 -0.15 0.95 -0.05 0.00 0.00 175.22 175.35 3i1r s THR 67 N -2.27 2.53 -0.32 -4.49 -4.23 -1.20 -4.98 115.64 100.68 3i1r s THR 67 Ca -0.03 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 3i1r s THR 67 Cb -0.01 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 71.84 3i1r s THR 67 CO -0.02 0.50 0.04 0.72 -0.54 0.00 0.00 174.62 175.33 3i1r s PHE 68 N 1.24 3.36 -0.23 3.99 -0.71 -1.26 -0.65 117.98 123.72 3i1r s PHE 68 Ca 0.03 -2.71 -0.29 0.00 -1.04 0.00 0.00 56.93 52.92 3i1r s PHE 68 Cb -0.14 -2.60 -0.00 0.00 -1.21 0.00 0.00 43.02 39.07 3i1r s PHE 68 CO -0.08 -0.93 1.21 0.08 -1.34 0.00 0.00 175.22 174.17 3i1r s VAL 69 N 1.05 4.35 0.45 -2.49 1.01 -1.26 -4.85 120.40 118.66 3i1r s VAL 69 Ca 0.08 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.57 3i1r s VAL 69 Cb -0.19 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3i1r s VAL 69 CO -0.10 -0.26 0.81 0.28 0.00 0.00 0.00 175.10 175.83 3i1r s THR 70 N 3.66 4.80 0.00 3.92 -1.32 -1.26 -4.29 115.64 121.15 3i1r s THR 70 Ca 0.52 0.57 0.00 0.00 -1.21 0.00 0.00 61.69 61.56 3i1r s THR 70 Cb -0.18 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 3i1r s THR 70 CO 0.15 -0.68 0.00 2.29 -2.21 0.00 0.00 174.62 174.17 3i1r n LYS 71 N -1.70 0.00 -4.38 7.08 0.00 -1.26 -5.13 118.16 112.77 3i1r n LYS 71 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.09 3i1r n LYS 71 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.46 3i1r n LYS 71 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3i1r s THR 72 N -0.23 2.07 0.21 0.58 -4.23 -1.26 -5.10 115.64 107.69 3i1r s THR 72 Ca 0.00 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 3i1r s THR 72 Cb 0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3i1r s THR 72 CO 0.00 -0.23 0.22 -2.16 -0.54 0.00 0.00 174.62 171.92 3i1r s PRO 73 N -2.75 3.09 0.01 3.99 0.04 -1.26 -4.63 135.00 133.49 3i1r s PRO 73 Ca 0.18 -0.88 -0.34 0.00 0.04 0.00 0.00 61.00 60.01 3i1r s PRO 73 Cb -0.07 -2.71 -0.13 0.00 0.04 0.00 0.00 34.50 31.64 3i1r s PRO 73 CO 0.08 0.45 1.76 -0.35 0.04 0.00 0.00 177.00 178.98 3i1r n PRO 74 N -0.88 2.16 0.05 0.56 -0.04 -1.25 -4.88 135.00 130.72 3i1r n PRO 74 Ca -0.08 0.79 0.12 0.00 -0.04 0.00 0.00 63.50 64.29 3i1r n PRO 74 Cb 0.56 -2.60 0.48 0.00 -0.04 0.00 0.00 33.50 31.90 3i1r n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1r n ALA 75 N 5.31 2.08 0.43 0.55 0.00 -1.26 -2.81 120.51 124.81 3i1r n ALA 75 Ca 0.20 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.70 3i1r n ALA 75 Cb 0.29 -1.41 0.26 0.00 0.00 0.00 0.00 19.45 18.59 3i1r n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n ALA 76 N -1.62 2.43 0.76 0.00 0.00 -1.26 -2.83 120.51 118.00 3i1r n ALA 76 Ca 0.05 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.71 3i1r n ALA 76 Cb 0.31 -0.96 0.16 0.00 0.00 0.00 0.00 19.45 18.96 3i1r n ALA 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1r n VAL 77 N 1.07 0.19 0.37 0.00 0.24 -1.12 -4.15 118.33 114.92 3i1r n VAL 77 Ca 0.18 -0.58 -0.05 0.00 -2.04 0.00 0.00 64.34 61.85 3i1r n VAL 77 Cb 0.48 1.27 0.03 0.00 -1.47 0.00 0.00 33.84 34.15 3i1r n VAL 77 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3i1r n LEU 78 N 1.37 4.07 -0.32 1.34 4.77 -1.13 -3.26 117.00 123.84 3i1r n LEU 78 Ca 0.16 -2.05 0.03 0.00 -0.03 0.00 0.00 56.01 54.13 3i1r n LEU 78 Cb 0.60 -0.66 0.05 0.00 -2.33 0.00 0.00 43.42 41.08 3i1r n LEU 78 CO 0.15 0.69 0.37 0.18 -1.33 0.00 0.00 177.39 177.45 3i1r n LEU 79 N 0.33 0.86 0.00 2.23 4.77 -1.26 -3.94 117.00 119.99 3i1r n LEU 79 Ca 0.12 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 3i1r n LEU 79 Cb 0.69 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3i1r n LEU 79 CO 0.12 0.41 -0.24 0.29 -1.33 0.00 0.00 177.39 176.64 3i1r n LYS 80 N -0.51 2.42 -0.03 3.23 5.02 -1.20 -2.87 118.16 124.22 3i1r n LYS 80 Ca 0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3i1r n LYS 80 Cb 0.66 -0.74 -0.04 0.00 -0.02 0.00 0.00 35.03 34.88 3i1r n LYS 80 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3i1r n LYS 81 N -1.03 2.76 -1.54 1.97 2.85 -1.26 -4.57 118.16 117.35 3i1r n LYS 81 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 3i1r n LYS 81 Cb 0.14 -1.15 0.09 0.00 -0.65 0.00 0.00 35.03 33.47 3i1r n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1r n ALA 82 N -2.27 3.71 0.00 0.58 0.00 -1.26 -4.85 120.51 116.42 3i1r n ALA 82 Ca -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.13 3i1r n ALA 82 Cb 0.68 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3i1r n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n ALA 83 N -0.63 0.00 0.00 0.00 0.00 -1.25 -4.77 120.51 113.85 3i1r n ALA 83 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3i1r n ALA 83 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.32 3i1r n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 84 N -1.24 -0.41 3.37 0.00 0.00 -1.14 -4.93 105.19 100.84 3i1r n GLY 84 Ca 0.00 0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 3i1r n GLY 84 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i1r n ILE 85 N 0.00 1.36 0.70 -0.61 -6.64 -1.20 -4.14 119.36 108.83 3i1r n ILE 85 Ca 0.00 -0.50 0.12 0.00 -1.77 0.00 0.00 62.75 60.60 3i1r n ILE 85 Cb 0.00 -0.12 0.48 0.00 -1.44 0.00 0.00 39.64 38.56 3i1r n ILE 85 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3i1r n LYS 86 N 1.08 0.09 0.00 6.28 4.01 -1.26 -3.84 118.16 124.52 3i1r n LYS 86 Ca 0.14 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 58.11 3i1r n LYS 86 Cb 0.34 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3i1r n LYS 86 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3i1r n SER 87 N -1.79 0.00 0.00 4.39 3.41 -1.26 -5.01 113.62 113.36 3i1r n SER 87 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3i1r n SER 87 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3i1r n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1r n GLY 88 N 4.60 -0.27 0.00 5.00 0.00 -1.26 -4.94 105.19 108.31 3i1r n GLY 88 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3i1r n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1r n SER 89 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.84 113.62 116.77 3i1r n SER 89 Ca 0.00 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.80 3i1r n SER 89 Cb 0.00 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 3i1r n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1r n GLY 90 N -0.93 1.91 3.03 0.23 0.00 -1.26 -3.82 105.19 104.35 3i1r n GLY 90 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3i1r n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1r s LYS 91 N 0.00 3.00 0.00 1.61 -0.14 -1.26 -5.05 119.74 117.90 3i1r s LYS 91 Ca 0.00 -3.32 0.00 0.00 -1.36 0.00 0.00 55.97 51.29 3i1r s LYS 91 Cb 0.00 -3.77 0.00 0.00 -1.68 0.00 0.00 37.83 32.38 3i1r s LYS 91 CO 0.00 -1.27 0.00 -2.30 -0.76 0.00 0.00 175.35 171.02 3i1r n PRO 92 N 2.17 0.00 -2.84 -1.68 -0.02 -1.25 -4.29 135.00 127.09 3i1r n PRO 92 Ca 0.21 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3i1r n PRO 92 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.85 3i1r n PRO 92 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i1r n ASN 93 N 0.00 6.72 -0.00 2.55 4.13 -1.26 -4.02 115.26 123.37 3i1r n ASN 93 Ca 0.00 -3.49 0.01 0.00 1.68 0.00 0.00 54.58 52.79 3i1r n ASN 93 Cb 0.00 -1.25 -0.02 0.00 -1.54 0.00 0.00 39.78 36.97 3i1r n ASN 93 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3i1r n LYS 94 N 0.98 5.39 -3.56 3.52 4.76 -1.26 -5.02 118.16 122.97 3i1r n LYS 94 Ca 0.34 -0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.61 3i1r n LYS 94 Cb 0.31 -0.68 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 3i1r n LYS 94 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i1r s ASP 95 N -1.39 -0.69 -0.73 4.39 2.15 -1.26 -5.05 116.67 114.10 3i1r s ASP 95 Ca 0.01 1.00 -0.05 0.00 0.43 0.00 0.00 52.55 53.94 3i1r s ASP 95 Cb 0.02 0.90 -0.05 0.00 -0.30 0.00 0.00 42.92 43.49 3i1r s ASP 95 CO 0.12 -0.47 1.96 0.29 -0.17 0.00 0.00 175.17 176.90 3i1r n LYS 96 N 1.60 1.73 -0.39 4.34 4.01 -1.26 -4.75 118.16 123.44 3i1r n LYS 96 Ca -0.17 -1.26 -0.10 0.00 -0.51 0.00 0.00 58.31 56.27 3i1r n LYS 96 Cb 0.56 -2.34 -0.09 0.00 -0.51 0.00 0.00 35.03 32.66 3i1r n LYS 96 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3i1r n VAL 97 N 4.18 -0.63 -4.59 -0.18 0.31 -1.26 -4.77 118.33 111.40 3i1r n VAL 97 Ca 0.37 2.33 -0.26 0.00 -0.01 0.00 0.00 64.34 66.76 3i1r n VAL 97 Cb 0.14 -2.88 -0.06 0.00 -0.91 0.00 0.00 33.84 30.13 3i1r n VAL 97 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1r n GLY 98 N -1.23 3.62 3.56 2.92 0.00 -1.25 -5.05 105.19 107.76 3i1r n GLY 98 Ca 0.02 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.75 3i1r n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1r s LYS 99 N -3.48 0.22 0.00 1.61 -2.85 -1.26 -0.94 119.74 113.03 3i1r s LYS 99 Ca 0.03 0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 3i1r s LYS 99 Cb 0.00 0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.88 3i1r s LYS 99 CO 0.02 -0.05 0.00 -0.89 0.10 0.00 0.00 175.35 174.53 3i1r n ILE 100 N 3.81 0.00 -3.74 3.79 2.08 -1.19 -4.86 119.36 119.25 3i1r n ILE 100 Ca -0.15 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.07 3i1r n ILE 100 Cb 0.56 -0.22 0.02 0.00 -0.75 0.00 0.00 39.64 39.25 3i1r n ILE 100 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3i1r n SER 101 N 0.00 -1.83 -0.03 4.38 3.41 -1.26 -1.62 113.62 116.67 3i1r n SER 101 Ca 0.00 -2.42 -0.15 0.00 -0.26 0.00 0.00 58.87 56.04 3i1r n SER 101 Cb 0.00 3.09 -0.10 0.00 -0.26 0.00 0.00 64.21 66.94 3i1r n SER 101 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i1r h ARG 102 N 0.00 0.24 -0.25 4.33 2.43 -1.78 -3.28 114.38 116.06 3i1r h ARG 102 Ca -0.28 -0.20 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 3i1r h ARG 102 Cb 1.06 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 3i1r h ARG 102 CO 0.36 0.86 -0.17 0.00 -1.51 0.00 0.00 179.97 179.51 3i1r h ALA 103 N 0.38 0.01 -2.48 2.80 0.00 -1.92 -3.36 119.26 114.68 3i1r h ALA 103 Ca -0.02 0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.45 3i1r h ALA 103 Cb 0.92 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3i1r h ALA 103 CO 0.05 -0.58 0.44 -0.65 0.00 0.00 0.00 179.25 178.51 3i1r s GLN 104 N -6.14 4.55 0.00 0.00 -0.21 -1.24 -3.24 119.66 113.37 3i1r s GLN 104 Ca -0.14 1.57 0.00 0.00 0.02 0.00 0.00 55.36 56.80 3i1r s GLN 104 Cb 0.12 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.74 3i1r s GLN 104 CO 0.69 -0.06 0.00 1.28 -2.12 0.00 0.00 175.29 175.08 3i1r n LEU 105 N 3.56 0.00 0.27 2.90 4.77 -1.26 -4.36 117.00 122.88 3i1r n LEU 105 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 3i1r n LEU 105 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 3i1r n LEU 105 CO 0.53 0.00 0.32 -0.61 -1.33 0.00 0.00 177.39 176.30 3i1r h GLN 106 N 3.99 -0.71 -0.44 3.23 4.15 -1.70 -1.97 115.11 121.66 3i1r h GLN 106 Ca 0.00 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 3i1r h GLN 106 Cb 0.00 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3i1r h GLN 106 CO 0.00 -0.46 0.20 0.93 -1.93 0.00 0.00 178.83 177.58 3i1r h GLU 107 N -1.18 0.62 -0.46 1.69 3.07 -1.95 -0.79 114.58 115.58 3i1r h GLU 107 Ca -0.08 -0.07 0.09 0.00 -0.50 0.00 0.00 59.36 58.80 3i1r h GLU 107 Cb 0.58 -0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 28.29 3i1r h GLU 107 CO 0.12 0.49 -0.12 0.82 -1.40 0.00 0.00 179.01 178.93 3i1r h ILE 108 N 0.62 0.54 0.00 3.13 2.04 -1.94 -0.56 117.51 121.34 3i1r h ILE 108 Ca 0.16 -0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.82 3i1r h ILE 108 Cb 0.08 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3i1r h ILE 108 CO -0.02 0.00 -1.03 0.00 0.00 0.00 0.00 178.15 177.10 3i1r h ALA 109 N 1.46 0.53 -0.11 1.87 0.00 -1.23 -3.31 119.26 118.49 3i1r h ALA 109 Ca 0.22 -0.88 0.02 0.00 0.00 0.00 0.00 54.91 54.27 3i1r h ALA 109 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i1r h ALA 109 CO -0.48 1.11 0.07 0.37 0.00 0.00 0.00 179.25 180.32 3i1r h GLN 110 N 0.00 0.07 -0.59 0.00 4.15 -0.08 -2.93 115.11 115.72 3i1r h GLN 110 Ca -0.07 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 3i1r h GLN 110 Cb 1.69 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.34 3i1r h GLN 110 CO 0.10 0.05 0.08 1.79 -1.93 0.00 0.00 178.83 178.92 3i1r h THR 111 N 0.07 1.26 0.00 2.39 1.35 -1.23 -3.30 112.91 113.45 3i1r h THR 111 Ca 0.04 -1.02 -0.18 0.00 -0.55 0.00 0.00 66.41 64.71 3i1r h THR 111 Cb 0.09 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 3i1r h THR 111 CO -0.01 0.37 0.96 0.29 -0.25 0.00 0.00 175.52 176.88 3i1r n LYS 112 N -4.29 1.27 0.15 4.72 5.02 -1.11 -4.54 118.16 119.39 3i1r n LYS 112 Ca 0.03 -0.80 0.11 0.00 -2.02 0.00 0.00 58.31 55.62 3i1r n LYS 112 Cb 0.29 -1.99 0.56 0.00 -0.02 0.00 0.00 35.03 33.87 3i1r n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1r n ALA 113 N 3.36 1.07 -1.41 7.82 0.00 -1.25 -1.41 120.51 128.70 3i1r n ALA 113 Ca 0.27 0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.97 3i1r n ALA 113 Cb 0.31 -1.31 0.18 0.00 0.00 0.00 0.00 19.45 18.64 3i1r n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n ALA 114 N -1.76 3.14 -3.15 0.00 0.00 -1.26 -4.94 120.51 112.53 3i1r n ALA 114 Ca -0.01 -3.05 0.04 0.00 0.00 0.00 0.00 53.44 50.42 3i1r n ALA 114 Cb 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 3i1r n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i1r s ASP 115 N -3.10 -1.51 0.00 0.00 -1.08 -0.50 -5.05 116.67 105.43 3i1r s ASP 115 Ca 0.36 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.87 3i1r s ASP 115 Cb 0.34 2.08 0.00 0.00 -1.46 0.00 0.00 42.92 43.88 3i1r s ASP 115 CO -0.03 -0.28 0.00 0.23 0.52 0.00 0.00 175.17 175.61 3i1r n MET 116 N 5.42 0.00 -3.12 4.34 2.81 -1.26 -4.81 117.12 120.50 3i1r n MET 116 Ca 0.02 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.47 3i1r n MET 116 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 3i1r n MET 116 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i1r n THR 117 N -0.16 4.88 0.00 2.03 -2.24 -1.26 -4.84 114.28 112.70 3i1r n THR 117 Ca 0.00 -5.55 0.00 0.00 -2.27 0.00 0.00 64.05 56.23 3i1r n THR 117 Cb 0.00 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 65.88 3i1r n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1r n GLY 118 N 2.17 -0.96 0.34 3.38 0.00 -1.26 -4.87 105.19 103.99 3i1r n GLY 118 Ca 0.26 0.90 0.18 0.00 0.00 0.00 0.00 46.02 47.36 3i1r n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r h ALA 119 N 0.00 1.42 -2.43 4.61 0.00 -2.02 -3.41 119.26 117.43 3i1r h ALA 119 Ca 0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3i1r h ALA 119 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i1r h ALA 119 CO 0.00 -0.26 0.79 0.34 0.00 0.00 0.00 179.25 180.12 3i1r s ASP 120 N -5.04 6.85 0.41 0.00 -1.08 -1.26 -4.91 116.67 111.63 3i1r s ASP 120 Ca -0.04 2.18 0.25 0.00 -0.52 0.00 0.00 52.55 54.41 3i1r s ASP 120 Cb 0.12 -2.57 0.53 0.00 -1.46 0.00 0.00 42.92 39.54 3i1r s ASP 120 CO 0.40 -0.69 1.68 0.40 0.52 0.00 0.00 175.17 177.48 3i1r h ILE 121 N 4.70 0.00 0.00 4.11 2.04 -2.02 -3.17 117.51 123.17 3i1r h ILE 121 Ca -0.40 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3i1r h ILE 121 Cb 1.19 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3i1r h ILE 121 CO 0.89 0.00 -0.98 1.21 0.00 0.00 0.00 178.15 179.26 3i1r n GLU 122 N -2.93 0.05 -0.07 2.37 4.07 -1.26 -4.52 120.64 118.34 3i1r n GLU 122 Ca 0.04 -0.01 -0.22 0.00 -0.06 0.00 0.00 57.16 56.91 3i1r n GLU 122 Cb 0.49 -1.51 -0.12 0.00 -0.06 0.00 0.00 31.44 30.24 3i1r n GLU 122 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i1r n ALA 123 N -1.55 1.08 0.43 4.31 0.00 -1.20 -3.93 120.51 119.65 3i1r n ALA 123 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3i1r n ALA 123 Cb 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3i1r n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n MET 124 N -3.67 0.23 0.01 0.00 -0.00 -1.20 -3.07 117.12 109.41 3i1r n MET 124 Ca -0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 57.70 57.30 3i1r n MET 124 Cb 0.95 -1.01 -0.00 0.00 -0.00 0.00 0.00 33.22 33.15 3i1r n MET 124 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 3i1r h THR 125 N 0.00 0.00 0.00 3.17 2.02 -1.82 -3.33 112.91 112.95 3i1r h THR 125 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3i1r h THR 125 Cb 0.01 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3i1r h THR 125 CO 0.00 0.00 0.06 -2.11 0.37 0.00 0.00 175.52 173.84 3i1r n ARG 126 N -3.14 0.08 0.29 6.66 0.00 -1.17 -0.95 116.66 118.42 3i1r n ARG 126 Ca -0.01 0.56 -0.11 0.00 -0.00 0.00 0.00 57.85 58.29 3i1r n ARG 126 Cb 0.02 -1.83 -0.05 0.00 -0.00 0.00 0.00 32.46 30.60 3i1r n ARG 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i1r h SER 127 N 0.00 -0.63 0.61 2.89 4.64 -1.69 -2.93 113.55 116.44 3i1r h SER 127 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i1r h SER 127 Cb 0.11 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3i1r h SER 127 CO 0.00 -0.43 0.00 -0.38 -0.87 0.00 0.00 176.83 175.15 3i1r n ILE 128 N -4.13 0.91 0.28 0.95 2.08 -0.30 -3.05 119.36 116.09 3i1r n ILE 128 Ca -0.09 0.28 -0.16 0.00 0.56 0.00 0.00 62.75 63.34 3i1r n ILE 128 Cb 0.29 -1.18 -0.08 0.00 -0.75 0.00 0.00 39.64 37.92 3i1r n ILE 128 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 3i1r h GLU 129 N 0.00 -0.64 -0.05 0.38 5.08 -0.94 -2.52 114.58 115.88 3i1r h GLU 129 Ca 0.00 0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3i1r h GLU 129 Cb 0.30 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3i1r h GLU 129 CO 0.00 -0.41 -0.26 0.78 -1.00 0.00 0.00 179.01 178.13 3i1r h GLY 130 N -0.72 0.10 0.62 -3.84 0.00 -1.44 -2.56 103.07 95.24 3i1r h GLY 130 Ca -0.07 -0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.31 3i1r h GLY 130 CO 0.11 0.06 0.58 -0.84 0.00 0.00 0.00 176.54 176.45 3i1r h THR 131 N 0.08 0.91 -0.88 4.70 2.02 -1.47 0.43 112.91 118.71 3i1r h THR 131 Ca 0.01 -0.28 -0.47 0.00 0.77 0.00 0.00 66.41 66.45 3i1r h THR 131 Cb 0.51 0.02 -0.27 0.00 -1.74 0.00 0.00 68.15 66.67 3i1r h THR 131 CO 0.04 0.15 0.53 0.00 0.37 0.00 0.00 175.52 176.60 3i1r n ALA 132 N -2.41 5.42 -0.58 6.16 0.00 -0.96 -3.76 120.51 124.38 3i1r n ALA 132 Ca 0.16 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.62 3i1r n ALA 132 Cb 0.38 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3i1r n ALA 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1r n ARG 133 N -1.13 0.20 -0.11 0.00 0.63 0.11 -4.49 116.66 111.88 3i1r n ARG 133 Ca 0.55 -0.04 0.02 0.00 -0.92 0.00 0.00 57.85 57.47 3i1r n ARG 133 Cb 1.51 -0.38 0.08 0.00 0.45 0.00 0.00 32.46 34.12 3i1r n ARG 133 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i1r n SER 134 N -0.04 1.12 0.00 6.15 7.64 0.99 -2.98 113.62 126.50 3i1r n SER 134 Ca 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.84 3i1r n SER 134 Cb 0.14 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 3i1r n SER 134 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 3i1r n MET 135 N 0.01 -0.35 0.00 1.43 0.00 -1.26 -4.87 117.12 112.08 3i1r n MET 135 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 57.70 57.41 3i1r n MET 135 Cb 0.21 -0.83 0.00 0.00 0.00 0.00 0.00 33.22 32.59 3i1r n MET 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i1r n GLY 136 N 0.05 1.35 3.73 3.17 0.00 -1.16 -4.17 105.19 108.15 3i1r n GLY 136 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1r n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1r s LEU 137 N 0.00 4.47 -0.41 0.99 1.43 -1.26 -3.83 118.68 120.08 3i1r s LEU 137 Ca 0.00 1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 54.89 3i1r s LEU 137 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.64 3i1r s LEU 137 CO 0.00 -0.21 0.48 -0.69 0.23 0.00 0.00 176.35 176.16 3i1r s VAL 138 N 0.07 5.04 0.15 -1.59 1.01 -0.12 -4.69 120.40 120.27 3i1r s VAL 138 Ca 0.50 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 3i1r s VAL 138 Cb -0.27 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 3i1r s VAL 138 CO 0.32 -0.40 1.30 0.54 0.00 0.00 0.00 175.10 176.86 3i1r s VAL 139 N 2.28 3.40 -0.78 2.92 0.11 -1.26 -3.14 120.40 123.92 3i1r s VAL 139 Ca 0.15 1.09 -0.03 0.00 -2.93 0.00 0.00 61.98 60.26 3i1r s VAL 139 Cb -0.16 -3.70 0.20 0.00 -1.53 0.00 0.00 36.38 31.18 3i1r s VAL 139 CO 0.14 0.13 0.64 -1.61 -3.33 0.00 0.00 175.10 171.08 3i1r s GLU 140 N 0.37 3.00 0.00 1.54 8.01 -0.64 -4.97 118.70 126.01 3i1r s GLU 140 Ca 0.59 -2.96 0.29 0.00 0.01 0.00 0.00 54.97 52.89 3i1r s GLU 140 Cb -0.35 -3.88 1.20 0.00 -4.31 0.00 0.00 34.13 26.79 3i1r s GLU 140 CO 0.34 -1.23 1.83 -3.47 0.01 0.00 0.00 175.26 172.74