#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o s GLN 4 N 0.00 3.38 0.34 1.20 -2.07 -1.26 -5.01 119.66 116.23 3i1o s GLN 4 Ca 0.00 2.02 -0.12 0.00 -1.82 0.00 0.00 55.36 55.44 3i1o s GLN 4 Cb 0.00 -2.30 -0.07 0.00 -1.09 0.00 0.00 33.01 29.55 3i1o s GLN 4 CO 0.00 -0.93 0.71 0.71 -1.32 0.00 0.00 175.29 174.46 3i1o s TYR 5 N -1.42 3.42 -0.01 9.60 4.12 -1.04 -4.84 117.35 127.19 3i1o s TYR 5 Ca 0.69 1.06 0.04 0.00 0.02 0.00 0.00 57.07 58.88 3i1o s TYR 5 Cb -0.35 -2.43 -0.01 0.00 -1.52 0.00 0.00 41.96 37.65 3i1o s TYR 5 CO 0.41 0.05 -0.13 -0.47 0.02 0.00 0.00 175.55 175.43 3i1o s TYR 6 N -2.12 1.19 0.01 2.71 6.04 -1.26 -2.23 117.35 121.69 3i1o s TYR 6 Ca 0.51 -0.23 0.01 0.00 0.04 0.00 0.00 57.07 57.40 3i1o s TYR 6 Cb -0.10 -0.76 -0.01 0.00 -1.04 0.00 0.00 41.96 40.05 3i1o s TYR 6 CO 0.24 -0.02 -0.03 0.20 -1.54 0.00 0.00 175.55 174.41 3i1o s GLY 7 N -0.37 0.18 -0.47 8.97 0.00 -1.07 -4.71 107.32 109.85 3i1o s GLY 7 Ca 0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 44.72 44.28 3i1o s GLY 7 CO -0.00 -0.32 0.57 -1.59 0.00 0.00 0.00 173.10 171.76 3i1o s THR 8 N -0.59 4.93 0.08 0.90 2.01 -1.26 -3.12 115.64 118.59 3i1o s THR 8 Ca -0.05 -0.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.39 3i1o s THR 8 Cb -0.04 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 3i1o s THR 8 CO -0.00 -0.65 0.67 -0.83 -0.69 0.00 0.00 174.62 173.11 3i1o s GLY 9 N 2.31 2.76 -0.21 4.40 0.00 -0.59 -4.56 107.32 111.42 3i1o s GLY 9 Ca 0.16 0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.80 3i1o s GLY 9 CO 0.14 0.74 0.69 -1.60 0.00 0.00 0.00 173.10 173.06 3i1o s ARG 10 N -0.80 0.86 0.00 2.90 3.52 -1.24 -0.90 118.95 123.29 3i1o s ARG 10 Ca 0.33 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 56.73 3i1o s ARG 10 Cb -0.21 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 3i1o s ARG 10 CO 0.22 -0.15 0.00 -2.13 -0.81 0.00 0.00 175.30 172.43 3i1o n ARG 11 N 2.30 0.00 -3.25 5.12 3.00 -1.22 -4.54 116.66 118.07 3i1o n ARG 11 Ca -0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.59 3i1o n ARG 11 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.05 3i1o n ARG 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3i1o n LYS 12 N 0.00 -1.65 -4.03 -0.14 4.81 -1.26 -3.13 118.16 112.75 3i1o n LYS 12 Ca 0.00 1.11 -0.31 0.00 -0.87 0.00 0.00 58.31 58.24 3i1o n LYS 12 Cb 0.00 -5.38 -0.00 0.00 0.02 0.00 0.00 35.03 29.67 3i1o n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1o n SER 13 N -2.45 -3.28 -4.31 3.14 2.88 -1.26 -4.68 113.62 103.66 3i1o n SER 13 Ca -0.06 -0.91 -0.28 0.00 -1.33 0.00 0.00 58.87 56.29 3i1o n SER 13 Cb 0.57 -3.32 -0.14 0.00 -0.75 0.00 0.00 64.21 60.56 3i1o n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3i1o s SER 14 N -3.54 2.90 0.08 -3.46 0.01 -1.18 -3.53 113.70 104.98 3i1o s SER 14 Ca 0.55 -0.58 0.07 0.00 1.31 0.00 0.00 55.95 57.30 3i1o s SER 14 Cb -0.29 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 3i1o s SER 14 CO 0.88 0.21 -0.13 0.00 0.41 0.00 0.00 173.24 174.61 3i1o s ALA 15 N -0.83 2.83 -0.22 1.44 0.00 -0.34 -3.37 121.76 121.26 3i1o s ALA 15 Ca 0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 3i1o s ALA 15 Cb -0.10 -0.84 0.11 0.00 0.00 0.00 0.00 23.12 22.30 3i1o s ALA 15 CO 0.02 0.61 0.29 0.00 0.00 0.00 0.00 175.76 176.69 3i1o s ALA 16 N -1.12 -0.65 -0.46 0.00 0.00 -0.08 -1.51 121.76 117.94 3i1o s ALA 16 Ca 0.19 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 3i1o s ALA 16 Cb -0.11 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.57 3i1o s ALA 16 CO 0.11 -1.22 0.86 1.03 0.00 0.00 0.00 175.76 176.54 3i1o s ARG 17 N 2.43 3.45 -0.32 0.00 0.52 -0.19 -1.54 118.95 123.31 3i1o s ARG 17 Ca 0.09 -0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.28 3i1o s ARG 17 Cb -0.15 -3.94 0.06 0.00 0.52 0.00 0.00 34.95 31.43 3i1o s ARG 17 CO -0.14 -1.19 0.04 0.08 0.02 0.00 0.00 175.30 174.11 3i1o s VAL 18 N 3.54 3.04 -0.13 3.52 1.01 -1.18 0.11 120.40 130.31 3i1o s VAL 18 Ca 0.33 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 3i1o s VAL 18 Cb -0.11 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3i1o s VAL 18 CO 0.24 -0.21 -0.08 -0.36 0.00 0.00 0.00 175.10 174.69 3i1o s PHE 19 N 1.23 2.93 -0.02 5.22 0.08 0.11 -2.61 117.98 124.93 3i1o s PHE 19 Ca -0.03 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.68 3i1o s PHE 19 Cb -0.20 -1.87 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 3i1o s PHE 19 CO -0.02 -0.03 -0.05 -1.50 -0.10 0.00 0.00 175.22 173.53 3i1o s ILE 20 N 0.14 0.43 0.03 0.64 1.10 -0.95 -2.11 121.20 120.48 3i1o s ILE 20 Ca -0.04 -0.17 -0.05 0.00 -0.51 0.00 0.00 60.65 59.88 3i1o s ILE 20 Cb -0.14 -0.40 -0.01 0.00 0.15 0.00 0.00 42.46 42.05 3i1o s ILE 20 CO 0.04 0.15 0.09 -0.54 -2.11 0.00 0.00 174.94 172.57 3i1o s LYS 21 N 0.26 0.54 -0.18 3.50 1.02 -1.26 -2.49 119.74 121.13 3i1o s LYS 21 Ca -0.03 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 3i1o s LYS 21 Cb -0.07 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 3i1o s LYS 21 CO -0.00 -0.13 1.70 -1.25 -0.92 0.00 0.00 175.35 174.75 3i1o s PRO 22 N -2.24 3.80 0.00 -1.68 0.04 -1.26 0.13 135.00 133.79 3i1o s PRO 22 Ca -0.08 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3i1o s PRO 22 Cb -0.03 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.44 3i1o s PRO 22 CO -0.03 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.13 3i1o n GLY 23 N 4.69 -0.88 3.68 0.56 0.00 -1.04 -4.74 105.19 107.47 3i1o n GLY 23 Ca 0.20 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3i1o n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1o s ASN 24 N -4.00 6.80 -1.00 1.61 4.22 -1.26 -3.02 114.94 118.28 3i1o s ASN 24 Ca 0.00 2.12 -0.04 0.00 -2.14 0.00 0.00 52.86 52.80 3i1o s ASN 24 Cb 0.00 -2.55 0.13 0.00 1.28 0.00 0.00 41.25 40.11 3i1o s ASN 24 CO 0.00 -0.79 2.45 0.61 -2.04 0.00 0.00 177.10 177.33 3i1o n GLY 25 N 3.79 5.03 3.55 0.45 0.00 -1.19 -3.34 105.19 113.47 3i1o n GLY 25 Ca 0.14 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 3i1o n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1o s LYS 26 N -1.72 2.40 0.13 1.61 -2.85 -1.26 -4.13 119.74 113.91 3i1o s LYS 26 Ca 0.54 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 54.40 3i1o s LYS 26 Cb 0.26 -2.40 -0.07 0.00 -2.06 0.00 0.00 37.83 33.56 3i1o s LYS 26 CO -0.15 0.58 1.26 0.42 0.10 0.00 0.00 175.35 177.56 3i1o s ILE 27 N -0.97 3.61 -0.57 3.79 -1.09 -1.26 -3.40 121.20 121.31 3i1o s ILE 27 Ca 0.16 1.23 0.05 0.00 -2.23 0.00 0.00 60.65 59.86 3i1o s ILE 27 Cb -0.11 -3.79 0.19 0.00 -1.58 0.00 0.00 42.46 37.17 3i1o s ILE 27 CO 0.07 0.14 0.47 0.52 -1.23 0.00 0.00 174.94 174.91 3i1o n VAL 28 N 3.34 0.50 -3.28 2.92 0.31 0.52 -3.23 118.33 119.42 3i1o n VAL 28 Ca 0.08 -4.32 -0.44 0.00 -0.01 0.00 0.00 64.34 59.64 3i1o n VAL 28 Cb 0.44 -1.97 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 3i1o n VAL 28 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3i1o s ILE 29 N -1.03 5.07 -1.00 2.52 2.07 0.10 -1.65 121.20 127.28 3i1o s ILE 29 Ca 0.30 -0.82 -0.09 0.00 -1.41 0.00 0.00 60.65 58.63 3i1o s ILE 29 Cb 0.03 -4.21 -0.04 0.00 0.13 0.00 0.00 42.46 38.37 3i1o s ILE 29 CO -0.16 -0.69 0.83 0.59 -1.91 0.00 0.00 174.94 173.60 3i1o n ASN 30 N 5.65 -6.46 0.00 4.50 3.02 -0.37 -1.84 115.26 119.76 3i1o n ASN 30 Ca -0.10 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3i1o n ASN 30 Cb 0.44 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.02 3i1o n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1o n GLN 31 N -3.18 -1.15 -4.01 3.52 10.64 -1.26 -4.92 117.38 117.02 3i1o n GLN 31 Ca -0.07 0.21 -0.29 0.00 -1.83 0.00 0.00 57.00 55.02 3i1o n GLN 31 Cb 0.59 -4.01 -0.05 0.00 -0.86 0.00 0.00 30.24 25.92 3i1o n GLN 31 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3i1o s ARG 32 N -1.15 3.11 0.90 2.61 1.81 -0.77 -5.05 118.95 120.40 3i1o s ARG 32 Ca 0.00 -0.66 -0.12 0.00 -1.72 0.00 0.00 55.73 53.23 3i1o s ARG 32 Cb 0.00 -2.82 0.18 0.00 -0.45 0.00 0.00 34.95 31.86 3i1o s ARG 32 CO 0.00 0.55 1.24 -1.54 -0.68 0.00 0.00 175.30 174.87 3i1o s SER 33 N -2.75 3.42 0.04 0.23 1.04 -1.26 0.00 113.70 114.43 3i1o s SER 33 Ca 0.32 0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.69 3i1o s SER 33 Cb -0.12 -0.20 -0.06 0.00 0.10 0.00 0.00 66.02 65.75 3i1o s SER 33 CO 0.25 -2.52 1.22 0.25 0.98 0.00 0.00 173.24 173.42 3i1o h LEU 34 N -1.35 -0.67 -0.60 2.42 5.85 -1.93 -3.06 115.31 115.97 3i1o h LEU 34 Ca -0.42 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3i1o h LEU 34 Cb 1.24 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3i1o h LEU 34 CO 0.38 -0.21 -0.08 -0.62 -0.34 0.00 0.00 178.44 177.57 3i1o n GLU 35 N -3.69 1.21 -0.33 1.25 1.02 -1.26 -2.55 120.64 116.28 3i1o n GLU 35 Ca -0.03 -0.60 0.22 0.00 -0.02 0.00 0.00 57.16 56.73 3i1o n GLU 35 Cb 0.16 -1.49 0.45 0.00 -0.02 0.00 0.00 31.44 30.54 3i1o n GLU 35 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i1o h GLN 36 N 1.46 0.31 0.00 3.49 1.08 -1.90 -3.24 115.11 116.31 3i1o h GLN 36 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3i1o h GLN 36 Cb 0.41 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3i1o h GLN 36 CO 0.00 0.21 0.00 2.48 -0.95 0.00 0.00 178.83 180.57 3i1o n TYR 37 N -5.07 0.00 0.16 2.96 -0.00 -1.26 -4.89 117.16 109.06 3i1o n TYR 37 Ca 0.30 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 58.23 3i1o n TYR 37 Cb 0.93 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 40.31 3i1o n TYR 37 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 3i1o n PHE 38 N 0.00 0.05 -2.32 -3.48 0.99 -1.21 -4.95 117.46 106.55 3i1o n PHE 38 Ca 0.00 -0.11 -0.35 0.00 -0.00 0.00 0.00 57.45 56.99 3i1o n PHE 38 Cb 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 39.48 38.43 3i1o n PHE 38 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i1o s GLY 39 N -0.58 0.72 -0.02 1.37 0.00 -1.06 -4.42 107.32 103.34 3i1o s GLY 39 Ca 0.08 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 3i1o s GLY 39 CO 0.07 3.06 0.01 0.54 0.00 0.00 0.00 173.10 176.78 3i1o n ARG 40 N 8.93 -0.33 0.00 2.90 1.74 -1.26 -4.88 116.66 123.76 3i1o n ARG 40 Ca 0.33 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 58.12 3i1o n ARG 40 Cb 0.49 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 3i1o n ARG 40 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i1o n GLU 41 N 0.11 0.00 0.00 5.56 4.71 -1.26 -4.94 120.64 124.81 3i1o n GLU 41 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.22 3i1o n GLU 41 Cb 0.04 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.49 3i1o n GLU 41 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3i1o n THR 42 N 0.00 0.00 -3.73 2.62 -1.04 -1.26 -5.01 114.28 105.86 3i1o n THR 42 Ca 0.00 -0.38 0.01 0.00 -2.04 0.00 0.00 64.05 61.64 3i1o n THR 42 Cb 0.00 1.28 0.00 0.00 -1.82 0.00 0.00 70.33 69.79 3i1o n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1o s ALA 43 N -1.90 -2.21 0.00 2.41 0.00 -1.26 -5.07 121.76 113.72 3i1o s ALA 43 Ca 0.18 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3i1o s ALA 43 Cb 0.15 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3i1o s ALA 43 CO 0.38 -1.08 0.00 -2.13 0.00 0.00 0.00 175.76 172.93 3i1o n ARG 44 N -0.60 0.00 0.34 0.00 0.63 -1.26 -4.53 116.66 111.24 3i1o n ARG 44 Ca -0.05 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.10 3i1o n ARG 44 Cb 0.62 0.00 1.18 0.00 0.45 0.00 0.00 32.46 34.70 3i1o n ARG 44 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 3i1o h MET 45 N 0.00 0.00 -1.03 -0.14 2.86 -1.97 -2.01 114.93 112.65 3i1o h MET 45 Ca 0.00 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.89 3i1o h MET 45 Cb 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 3i1o h MET 45 CO 0.00 0.00 0.65 -0.39 1.06 0.00 0.00 176.91 178.23 3i1o h VAL 46 N 0.00 0.54 0.00 -2.22 -1.51 -1.95 2.61 116.25 113.72 3i1o h VAL 46 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3i1o h VAL 46 Cb 0.05 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.26 3i1o h VAL 46 CO -0.00 0.08 -1.23 1.33 -1.23 0.00 0.00 177.57 176.52 3i1o n VAL 47 N -4.68 0.32 0.05 7.19 0.24 -0.77 -4.32 118.33 116.36 3i1o n VAL 47 Ca 0.25 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.34 61.90 3i1o n VAL 47 Cb 0.83 -0.07 -0.14 0.00 -1.47 0.00 0.00 33.84 32.98 3i1o n VAL 47 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3i1o h ARG 48 N 0.00 0.34 -0.98 7.34 2.47 0.16 -3.37 114.38 120.33 3i1o h ARG 48 Ca 0.00 -0.57 0.12 0.00 -1.26 0.00 0.00 59.98 58.26 3i1o h ARG 48 Cb 0.90 0.21 -0.08 0.00 -1.65 0.00 0.00 29.97 29.35 3i1o h ARG 48 CO 0.00 1.28 0.61 1.96 0.56 0.00 0.00 179.97 184.38 3i1o h GLN 49 N -0.07 0.95 -0.28 0.04 4.20 0.40 -3.32 115.11 117.03 3i1o h GLN 49 Ca -0.32 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.36 3i1o h GLN 49 Cb 1.95 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 3i1o h GLN 49 CO 0.13 0.63 -0.17 -2.30 -0.67 0.00 0.00 178.83 176.45 3i1o n PRO 50 N -4.63 -0.12 -0.26 1.46 -0.02 -1.26 -1.04 135.00 129.12 3i1o n PRO 50 Ca 0.18 0.68 0.08 0.00 -2.02 0.00 0.00 63.50 62.42 3i1o n PRO 50 Cb 0.34 -1.01 0.22 0.00 -0.02 0.00 0.00 33.50 33.04 3i1o n PRO 50 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i1o n LEU 51 N -3.65 2.71 -0.05 2.45 4.32 -1.25 -4.29 117.00 117.24 3i1o n LEU 51 Ca 0.01 -1.35 0.00 0.00 -0.02 0.00 0.00 56.01 54.64 3i1o n LEU 51 Cb 0.07 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 3i1o n LEU 51 CO -0.04 0.68 0.09 -0.62 -1.22 0.00 0.00 177.39 176.27 3i1o n GLU 52 N 0.98 0.19 -0.06 3.23 -0.58 -0.21 0.64 120.64 124.82 3i1o n GLU 52 Ca 0.17 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.03 3i1o n GLU 52 Cb 0.43 -1.01 0.13 0.00 -0.57 0.00 0.00 31.44 30.42 3i1o n GLU 52 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3i1o n LEU 53 N -0.41 3.12 -0.16 -4.62 -0.00 -1.26 -4.42 117.00 109.25 3i1o n LEU 53 Ca 0.00 -1.16 0.00 0.00 -0.00 0.00 0.00 56.01 54.85 3i1o n LEU 53 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 3i1o n LEU 53 CO 0.00 0.58 0.08 1.33 -0.00 0.00 0.00 177.39 179.38 3i1o n VAL 54 N 1.38 0.00 -2.20 1.96 0.24 0.21 -5.13 118.33 114.78 3i1o n VAL 54 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3i1o n VAL 54 Cb 0.59 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3i1o n VAL 54 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i1o n ASP 55 N 0.00 -7.60 0.00 -1.34 -0.08 0.49 -5.01 116.55 103.00 3i1o n ASP 55 Ca 0.00 1.60 0.00 0.00 -1.51 0.00 0.00 54.79 54.88 3i1o n ASP 55 Cb 0.49 -4.50 0.00 0.00 2.34 0.00 0.00 41.12 39.45 3i1o n ASP 55 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 3i1o n MET 56 N 1.89 3.76 -3.26 -0.67 0.00 -1.26 -4.54 117.12 113.05 3i1o n MET 56 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 3i1o n MET 56 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.25 3i1o n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3i1o n VAL 57 N 0.00 -1.97 0.00 3.17 0.31 -1.26 -4.38 118.33 114.20 3i1o n VAL 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1o n VAL 57 Cb 0.00 -3.19 0.00 0.00 -0.91 0.00 0.00 33.84 29.74 3i1o n VAL 57 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3i1o n GLU 58 N -4.19 0.00 -0.27 5.55 0.28 -1.26 -4.54 120.64 116.21 3i1o n GLU 58 Ca -0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.00 3i1o n GLU 58 Cb 0.59 0.00 0.20 0.00 1.43 0.00 0.00 31.44 33.66 3i1o n GLU 58 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3i1o h LYS 59 N 0.00 0.49 -4.07 3.44 3.64 -1.76 -3.33 116.57 114.97 3i1o h LYS 59 Ca 0.00 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3i1o h LYS 59 Cb 0.00 -0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 31.57 3i1o h LYS 59 CO 0.00 0.32 -0.47 -0.48 -2.27 0.00 0.00 179.45 176.55 3i1o s LEU 60 N -10.42 1.48 0.00 5.20 0.05 -1.17 -2.49 118.68 111.34 3i1o s LEU 60 Ca -0.12 -0.94 -0.05 0.00 0.05 0.00 0.00 54.13 53.07 3i1o s LEU 60 Cb 0.21 0.77 0.08 0.00 -2.05 0.00 0.00 46.19 45.20 3i1o s LEU 60 CO 0.77 -0.77 0.23 -0.90 -0.55 0.00 0.00 176.35 175.13 3i1o n ASP 61 N -0.11 -1.72 -3.26 1.48 5.75 0.34 -3.17 116.55 115.87 3i1o n ASP 61 Ca -0.09 -0.48 -0.21 0.00 -0.01 0.00 0.00 54.79 53.99 3i1o n ASP 61 Cb 0.63 -0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.41 3i1o n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3i1o s LEU 62 N 0.00 0.62 -0.54 -2.12 2.01 -1.22 -4.67 118.68 112.76 3i1o s LEU 62 Ca 0.16 -2.58 -0.16 0.00 0.01 0.00 0.00 54.13 51.56 3i1o s LEU 62 Cb -0.02 0.16 0.12 0.00 0.01 0.00 0.00 46.19 46.46 3i1o s LEU 62 CO 0.13 -0.16 0.53 -0.47 1.01 0.00 0.00 176.35 177.38 3i1o s TYR 63 N 0.44 3.21 -0.02 0.29 6.14 -0.90 -0.35 117.35 126.15 3i1o s TYR 63 Ca 0.30 -1.21 0.07 0.00 0.64 0.00 0.00 57.07 56.86 3i1o s TYR 63 Cb -0.01 -3.80 -0.02 0.00 0.42 0.00 0.00 41.96 38.55 3i1o s TYR 63 CO -0.14 -1.05 -0.22 0.42 0.64 0.00 0.00 175.55 175.20 3i1o s ILE 64 N 1.78 1.79 0.05 3.14 1.09 -0.66 0.07 121.20 128.46 3i1o s ILE 64 Ca 0.04 -0.96 0.06 0.00 -1.10 0.00 0.00 60.65 58.69 3i1o s ILE 64 Cb -0.29 -1.49 -0.02 0.00 -1.06 0.00 0.00 42.46 39.60 3i1o s ILE 64 CO 0.04 0.51 -0.16 -0.89 -0.10 0.00 0.00 174.94 174.33 3i1o s THR 65 N -0.44 1.32 -0.19 2.92 2.01 0.29 -1.23 115.64 120.32 3i1o s THR 65 Ca 0.06 -1.13 -0.15 0.00 0.31 0.00 0.00 61.69 60.79 3i1o s THR 65 Cb -0.10 -1.18 0.05 0.00 0.01 0.00 0.00 72.50 71.28 3i1o s THR 65 CO -0.00 0.04 0.48 0.54 -0.69 0.00 0.00 174.62 174.98 3i1o s VAL 66 N -0.90 -0.01 -0.09 3.82 0.11 -1.26 -1.02 120.40 121.06 3i1o s VAL 66 Ca 0.03 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 3i1o s VAL 66 Cb -0.08 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 3i1o s VAL 66 CO 0.02 0.01 0.27 -0.75 -3.33 0.00 0.00 175.10 171.32 3i1o s LYS 67 N 0.66 0.37 0.10 1.54 2.47 -0.57 -4.94 119.74 119.36 3i1o s LYS 67 Ca -0.03 0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.65 3i1o s LYS 67 Cb -0.05 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.50 3i1o s LYS 67 CO -0.04 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 175.82 3i1o n GLY 68 N 2.66 -4.13 0.00 5.54 0.00 -1.26 -1.20 105.19 106.79 3i1o n GLY 68 Ca -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3i1o n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1o n GLY 69 N 0.34 0.40 3.53 -0.02 0.00 -1.23 -3.52 105.19 104.68 3i1o n GLY 69 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3i1o n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1o s GLY 70 N 0.00 -0.54 0.00 -0.02 0.00 -1.26 -4.89 107.32 100.61 3i1o s GLY 70 Ca 0.00 2.59 0.00 0.00 0.00 0.00 0.00 44.72 47.31 3i1o s GLY 70 CO 0.00 3.16 0.00 0.29 0.00 0.00 0.00 173.10 176.55 3i1o n ILE 71 N 5.28 0.00 0.07 0.90 -6.64 -1.26 0.26 119.36 117.97 3i1o n ILE 71 Ca -0.10 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.86 3i1o n ILE 71 Cb 0.50 0.00 0.26 0.00 -1.44 0.00 0.00 39.64 38.96 3i1o n ILE 71 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3i1o h SER 72 N 0.00 0.33 0.08 7.28 0.02 -1.98 0.69 113.55 119.97 3i1o h SER 72 Ca 0.00 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3i1o h SER 72 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3i1o h SER 72 CO 0.00 0.60 -0.04 1.23 -1.14 0.00 0.00 176.83 177.48 3i1o h GLY 73 N 1.02 -0.12 0.24 -3.77 0.00 0.32 -2.65 103.07 98.12 3i1o h GLY 73 Ca 0.04 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.42 3i1o h GLY 73 CO 0.05 -0.04 -0.51 1.46 0.00 0.00 0.00 176.54 177.49 3i1o h GLN 74 N -0.72 -0.78 -0.90 4.80 4.20 -1.25 -1.99 115.11 118.47 3i1o h GLN 74 Ca -0.01 0.05 0.22 0.00 0.06 0.00 0.00 58.65 58.97 3i1o h GLN 74 Cb 0.57 0.18 -0.16 0.00 0.30 0.00 0.00 27.48 28.36 3i1o h GLN 74 CO 0.02 -0.52 -0.03 0.00 -0.67 0.00 0.00 178.83 177.63 3i1o h ALA 75 N -0.57 0.92 -0.23 3.87 0.00 0.30 1.07 119.26 124.63 3i1o h ALA 75 Ca -0.02 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3i1o h ALA 75 Cb 0.78 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3i1o h ALA 75 CO -0.23 -0.48 0.10 0.78 0.00 0.00 0.00 179.25 179.43 3i1o h GLY 76 N 0.04 0.30 0.95 0.00 0.00 -1.11 1.08 103.07 104.33 3i1o h GLY 76 Ca 0.50 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 3i1o h GLY 76 CO -0.84 0.05 0.11 0.00 0.00 0.00 0.00 176.54 175.86 3i1o h ALA 77 N 1.13 0.25 -0.40 3.60 0.00 0.31 0.65 119.26 124.78 3i1o h ALA 77 Ca 0.10 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3i1o h ALA 77 Cb 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 3i1o h ALA 77 CO -0.08 -0.23 -0.37 0.82 0.00 0.00 0.00 179.25 179.39 3i1o h ILE 78 N 0.21 0.17 -0.14 0.00 2.04 0.15 1.01 117.51 120.96 3i1o h ILE 78 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3i1o h ILE 78 Cb 0.05 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 3i1o h ILE 78 CO -0.01 0.00 -0.35 -0.09 0.00 0.00 0.00 178.15 177.70 3i1o h ARG 79 N -0.29 -0.32 -0.94 2.37 2.43 0.18 0.14 114.38 117.96 3i1o h ARG 79 Ca 0.16 0.02 0.27 0.00 -0.81 0.00 0.00 59.98 59.62 3i1o h ARG 79 Cb 0.56 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.04 3i1o h ARG 79 CO -0.56 -0.22 0.39 1.25 -1.51 0.00 0.00 179.97 179.32 3i1o h HIS 80 N -0.34 0.62 0.30 2.20 2.76 0.18 0.76 115.15 121.63 3i1o h HIS 80 Ca 0.03 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3i1o h HIS 80 Cb 0.42 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.26 3i1o h HIS 80 CO -0.58 -0.18 -0.14 0.78 -1.30 0.00 0.00 177.93 176.50 3i1o h GLY 81 N 0.28 -0.42 -0.12 5.26 0.00 0.25 0.61 103.07 108.93 3i1o h GLY 81 Ca 0.63 0.16 0.07 0.00 0.00 0.00 0.00 47.33 48.18 3i1o h GLY 81 CO -0.63 -0.15 -0.37 -2.22 0.00 0.00 0.00 176.54 173.17 3i1o h ILE 82 N -0.50 0.19 -0.67 2.60 2.04 0.16 0.82 117.51 122.16 3i1o h ILE 82 Ca -0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 3i1o h ILE 82 Cb 0.37 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3i1o h ILE 82 CO 0.07 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.37 3i1o h THR 83 N -0.33 1.26 0.00 -0.27 1.03 -1.37 0.16 112.91 113.38 3i1o h THR 83 Ca 0.14 -0.96 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 3i1o h THR 83 Cb 0.57 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 3i1o h THR 83 CO -0.50 0.37 0.00 0.54 -0.01 0.00 0.00 175.52 175.92 3i1o n ARG 84 N -4.23 0.04 -0.00 0.00 5.12 0.21 -1.95 116.66 115.85 3i1o n ARG 84 Ca 0.05 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.50 3i1o n ARG 84 Cb 0.26 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 3i1o n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1o n ALA 85 N -1.57 2.21 -2.16 7.54 0.00 0.26 -3.93 120.51 122.86 3i1o n ALA 85 Ca -0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 53.44 52.43 3i1o n ALA 85 Cb 0.01 -0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.48 3i1o n ALA 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1o n LEU 86 N -0.29 4.44 0.00 0.00 7.94 -0.44 -4.64 117.00 124.02 3i1o n LEU 86 Ca 0.00 -4.54 0.00 0.00 -1.11 0.00 0.00 56.01 50.36 3i1o n LEU 86 Cb 0.15 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 43.86 3i1o n LEU 86 CO 0.00 1.97 0.18 1.15 -1.11 0.00 0.00 177.39 179.58 3i1o n MET 87 N -0.67 0.21 -0.07 1.96 0.00 -1.26 -4.81 117.12 112.48 3i1o n MET 87 Ca 0.39 -0.41 -0.13 0.00 0.00 0.00 0.00 57.70 57.55 3i1o n MET 87 Cb 0.93 -0.60 -0.10 0.00 0.00 0.00 0.00 33.22 33.44 3i1o n MET 87 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3i1o h GLU 88 N 0.00 0.00 -0.93 3.17 3.07 -1.91 -3.35 114.58 114.63 3i1o h GLU 88 Ca 0.00 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.12 3i1o h GLU 88 Cb 0.64 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 28.39 3i1o h GLU 88 CO 0.00 0.79 0.10 -0.92 -1.40 0.00 0.00 179.01 177.57 3i1o h TYR 89 N -1.00 0.09 -3.50 4.33 5.03 -1.91 -3.38 116.97 116.63 3i1o h TYR 89 Ca -0.07 0.06 -0.36 0.00 2.58 0.00 0.00 58.73 60.95 3i1o h TYR 89 Cb 0.87 0.11 -0.34 0.00 1.55 0.00 0.00 36.73 38.92 3i1o h TYR 89 CO 0.17 -0.36 -0.75 0.34 -1.32 0.00 0.00 178.16 176.24 3i1o s ASP 90 N -5.02 0.52 -0.03 -2.11 -1.08 -1.25 -5.02 116.67 102.68 3i1o s ASP 90 Ca -0.13 -0.05 0.05 0.00 -0.52 0.00 0.00 52.55 51.91 3i1o s ASP 90 Cb 0.28 -0.27 0.20 0.00 -1.46 0.00 0.00 42.92 41.67 3i1o s ASP 90 CO 0.77 -0.08 1.02 1.21 0.52 0.00 0.00 175.17 178.62 3i1o n GLU 91 N 4.06 1.73 -1.44 4.34 4.07 -1.26 -3.49 120.64 128.66 3i1o n GLU 91 Ca -0.26 -0.80 -0.08 0.00 -0.06 0.00 0.00 57.16 55.97 3i1o n GLU 91 Cb 0.51 -1.39 0.10 0.00 -0.06 0.00 0.00 31.44 30.60 3i1o n GLU 91 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3i1o n SER 92 N 0.13 3.06 -0.01 4.31 3.41 -1.26 -4.60 113.62 118.66 3i1o n SER 92 Ca 0.07 -3.58 0.04 0.00 -0.26 0.00 0.00 58.87 55.15 3i1o n SER 92 Cb 0.32 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 3i1o n SER 92 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i1o n LEU 93 N -0.79 0.44 0.48 1.04 7.99 -1.23 -4.68 117.00 120.25 3i1o n LEU 93 Ca 0.28 -0.51 -0.20 0.00 -0.01 0.00 0.00 56.01 55.57 3i1o n LEU 93 Cb 0.85 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 44.06 3i1o n LEU 93 CO 0.16 0.11 0.57 0.03 -1.51 0.00 0.00 177.39 176.74 3i1o h ARG 94 N 0.04 -1.19 -0.87 3.23 2.47 -1.84 -3.11 114.38 113.12 3i1o h ARG 94 Ca 0.00 0.08 0.21 0.00 -1.26 0.00 0.00 59.98 59.01 3i1o h ARG 94 Cb 0.21 0.27 -0.12 0.00 -1.65 0.00 0.00 29.97 28.67 3i1o h ARG 94 CO 0.00 -0.79 0.34 1.03 0.56 0.00 0.00 179.97 181.11 3i1o h SER 95 N -1.23 0.25 0.00 7.04 0.87 -1.93 0.66 113.55 119.21 3i1o h SER 95 Ca -0.12 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3i1o h SER 95 Cb 0.95 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 3i1o h SER 95 CO 0.19 -0.02 0.00 -0.62 -0.53 0.00 0.00 176.83 175.86 3i1o n GLU 96 N -5.08 0.59 -0.00 2.24 -0.58 -1.18 -3.09 120.64 113.54 3i1o n GLU 96 Ca 0.21 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.94 3i1o n GLU 96 Cb 0.62 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 30.13 3i1o n GLU 96 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3i1o n LEU 97 N -0.85 0.36 -0.19 -4.62 4.77 0.22 -4.35 117.00 112.33 3i1o n LEU 97 Ca 0.10 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 3i1o n LEU 97 Cb 0.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3i1o n LEU 97 CO 0.08 0.06 1.02 0.03 -1.33 0.00 0.00 177.39 177.25 3i1o h ARG 98 N 0.00 0.77 -0.82 3.23 3.08 -1.28 0.60 114.38 119.95 3i1o h ARG 98 Ca -0.00 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.05 3i1o h ARG 98 Cb 1.00 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.85 3i1o h ARG 98 CO 0.00 0.61 0.53 1.57 -1.07 0.00 0.00 179.97 181.61 3i1o h LYS 99 N 0.73 0.72 0.00 0.04 2.10 -1.80 0.90 116.57 119.26 3i1o h LYS 99 Ca 0.19 -0.04 -0.16 0.00 -2.00 0.00 0.00 60.65 58.64 3i1o h LYS 99 Cb 0.08 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.22 3i1o h LYS 99 CO -0.03 0.47 -0.75 0.00 -2.00 0.00 0.00 179.45 177.14 3i1o h ALA 100 N 1.59 0.70 -1.07 0.07 0.00 -1.61 -3.48 119.26 115.46 3i1o h ALA 100 Ca 0.38 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3i1o h ALA 100 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i1o h ALA 100 CO -0.15 0.94 0.00 0.41 0.00 0.00 0.00 179.25 180.45 3i1o n GLY 101 N 0.76 0.67 0.21 0.00 0.00 0.31 -5.03 105.19 102.11 3i1o n GLY 101 Ca -0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 3i1o n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1o n PHE 102 N -1.09 0.00 0.61 1.61 3.72 -0.88 -4.59 117.46 116.83 3i1o n PHE 102 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i1o n PHE 102 Cb 0.34 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3i1o n PHE 102 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3i1o n VAL 103 N -3.06 0.33 -4.55 -4.37 0.24 -1.26 -4.65 118.33 101.01 3i1o n VAL 103 Ca -0.23 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.78 3i1o n VAL 103 Cb 0.72 -0.58 -0.17 0.00 -1.47 0.00 0.00 33.84 32.34 3i1o n VAL 103 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i1o s THR 104 N -0.24 1.66 -0.52 3.34 2.01 -1.26 -5.05 115.64 115.57 3i1o s THR 104 Ca 0.00 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 3i1o s THR 104 Cb 0.00 -1.49 0.03 0.00 0.01 0.00 0.00 72.50 71.05 3i1o s THR 104 CO 0.00 0.47 1.12 -0.60 -0.69 0.00 0.00 174.62 174.92 3i1o s ARG 105 N 0.90 3.59 -0.91 4.92 3.00 -1.26 -4.95 118.95 124.24 3i1o s ARG 105 Ca -0.08 0.33 -0.24 0.00 -1.00 0.00 0.00 55.73 54.74 3i1o s ARG 105 Cb -0.15 -3.96 -0.04 0.00 0.00 0.00 0.00 34.95 30.79 3i1o s ARG 105 CO -0.01 -1.49 1.91 0.16 0.00 0.00 0.00 175.30 175.86 3i1o s ASP 106 N 2.67 5.25 0.00 -2.12 1.47 -1.26 -4.82 116.67 117.85 3i1o s ASP 106 Ca 0.43 -0.72 0.00 0.00 1.18 0.00 0.00 52.55 53.45 3i1o s ASP 106 Cb -0.08 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 3i1o s ASP 106 CO 0.28 -2.64 0.80 0.00 0.68 0.00 0.00 175.17 174.28 3i1o n ALA 107 N 13.56 2.38 -1.75 2.11 0.00 -1.26 -4.46 120.51 131.09 3i1o n ALA 107 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 3i1o n ALA 107 Cb 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3i1o n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1o n ARG 108 N 0.93 2.87 -1.77 0.00 1.74 -1.26 -4.96 116.66 114.21 3i1o n ARG 108 Ca 0.00 -2.62 -0.30 0.00 -0.77 0.00 0.00 57.85 54.15 3i1o n ARG 108 Cb 0.32 -3.29 0.06 0.00 -1.02 0.00 0.00 32.46 28.53 3i1o n ARG 108 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3i1o s GLN 109 N 3.17 2.69 0.79 5.56 0.74 -1.26 -4.90 119.66 126.44 3i1o s GLN 109 Ca 0.47 0.56 -0.11 0.00 0.05 0.00 0.00 55.36 56.33 3i1o s GLN 109 Cb 0.14 -1.99 0.06 0.00 1.10 0.00 0.00 33.01 32.32 3i1o s GLN 109 CO -0.09 -1.18 1.09 0.14 -0.55 0.00 0.00 175.29 174.70 3i1o s VAL 110 N -3.27 3.30 -0.22 1.34 -7.23 -1.26 -5.02 120.40 108.04 3i1o s VAL 110 Ca 0.59 0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 61.06 3i1o s VAL 110 Cb -0.12 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.78 3i1o s VAL 110 CO 0.53 -0.55 0.23 -0.70 -0.31 0.00 0.00 175.10 174.29 3i1o s GLU 111 N -4.97 4.12 0.23 4.82 2.56 -1.26 -5.04 118.70 119.16 3i1o s GLU 111 Ca 0.61 -0.12 -0.32 0.00 0.00 0.00 0.00 54.97 55.15 3i1o s GLU 111 Cb -0.16 -3.52 -0.12 0.00 2.00 0.00 0.00 34.13 32.33 3i1o s GLU 111 CO 0.56 0.08 1.68 2.89 -0.56 0.00 0.00 175.26 179.91 3i1o n ARG 112 N 4.20 2.73 -1.02 4.30 1.85 -1.26 -4.71 116.66 122.74 3i1o n ARG 112 Ca -0.13 0.98 -0.34 0.00 -1.00 0.00 0.00 57.85 57.36 3i1o n ARG 112 Cb 0.52 -2.81 0.10 0.00 -1.05 0.00 0.00 32.46 29.22 3i1o n ARG 112 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3i1o n LYS 113 N 3.45 0.01 -4.41 2.89 4.81 -1.26 -4.39 118.16 119.26 3i1o n LYS 113 Ca 0.14 0.05 -0.19 0.00 -0.87 0.00 0.00 58.31 57.44 3i1o n LYS 113 Cb 0.35 -1.90 -0.15 0.00 0.02 0.00 0.00 35.03 33.35 3i1o n LYS 113 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3i1o s LYS 114 N -3.31 0.80 0.09 1.64 1.02 -1.26 -4.73 119.74 113.99 3i1o s LYS 114 Ca 0.62 -0.37 -0.31 0.00 0.02 0.00 0.00 55.97 55.93 3i1o s LYS 114 Cb -0.28 -0.77 -0.10 0.00 -0.52 0.00 0.00 37.83 36.17 3i1o s LYS 114 CO 0.62 0.21 1.84 0.54 -0.92 0.00 0.00 175.35 177.64 3i1o s VAL 115 N -0.27 2.75 0.00 3.17 0.11 -1.26 -1.11 120.40 123.80 3i1o s VAL 115 Ca 0.04 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 3i1o s VAL 115 Cb -0.04 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 3i1o s VAL 115 CO -0.00 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 3i1o n GLY 116 N 4.29 0.27 3.46 6.54 0.00 -1.26 -5.06 105.19 113.43 3i1o n GLY 116 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3i1o n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1o s LEU 117 N 0.00 2.67 0.59 0.99 1.43 -0.26 -4.65 118.68 119.45 3i1o s LEU 117 Ca 0.00 -0.22 0.36 0.00 -1.03 0.00 0.00 54.13 53.24 3i1o s LEU 117 Cb 0.00 -1.53 1.84 0.00 0.03 0.00 0.00 46.19 46.52 3i1o s LEU 117 CO 0.00 0.34 2.18 0.03 0.23 0.00 0.00 176.35 179.13 3i1o h ARG 118 N 5.37 0.00 -0.24 1.70 3.08 -1.67 -3.41 114.38 119.20 3i1o h ARG 118 Ca -0.46 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.67 3i1o h ARG 118 Cb 1.15 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.03 3i1o h ARG 118 CO 0.50 0.03 -0.13 -1.59 -1.07 0.00 0.00 179.97 177.71 3i1o s LYS 119 N -4.04 0.22 0.00 0.04 -2.85 -1.25 -5.01 119.74 106.85 3i1o s LYS 119 Ca -0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 3i1o s LYS 119 Cb 0.12 0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 3i1o s LYS 119 CO 0.50 -0.30 0.00 0.00 0.10 0.00 0.00 175.35 175.65 3i1o n ALA 120 N 3.31 0.00 0.00 0.59 0.00 -1.26 -2.95 120.51 120.20 3i1o n ALA 120 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i1o n ALA 120 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3i1o n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1o n ARG 121 N 0.00 0.00 -1.54 0.00 5.12 -1.26 -4.55 116.66 114.43 3i1o n ARG 121 Ca 0.00 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 3i1o n ARG 121 Cb 0.00 -0.35 -0.06 0.00 -1.16 0.00 0.00 32.46 30.89 3i1o n ARG 121 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i1o n ARG 122 N -1.18 0.83 -2.98 5.56 3.00 -1.15 -4.92 116.66 115.81 3i1o n ARG 122 Ca 0.00 0.02 -0.38 0.00 -0.00 0.00 0.00 57.85 57.49 3i1o n ARG 122 Cb 0.00 -2.97 -0.06 0.00 0.00 0.00 0.00 32.46 29.43 3i1o n ARG 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i1o s ARG 123 N 8.34 4.48 0.55 -0.14 6.06 -1.26 -2.02 118.95 134.95 3i1o s ARG 123 Ca 1.07 1.11 -0.18 0.00 -2.50 0.00 0.00 55.73 55.23 3i1o s ARG 123 Cb -0.45 -3.06 -0.06 0.00 0.06 0.00 0.00 34.95 31.45 3i1o s ARG 123 CO 0.32 0.46 1.04 -2.14 -2.50 0.00 0.00 175.30 172.49 3i1o s PRO 124 N -1.58 3.55 0.00 5.12 0.02 -1.26 -4.94 135.00 135.91 3i1o s PRO 124 Ca 0.41 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.67 3i1o s PRO 124 Cb -0.20 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.25 3i1o s PRO 124 CO 0.24 -0.62 0.00 1.04 -0.33 0.00 0.00 177.00 177.33 3i1o n GLN 125 N -1.59 -1.18 -2.32 5.54 3.00 -1.26 -5.05 117.38 114.52 3i1o n GLN 125 Ca 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.06 3i1o n GLN 125 Cb 0.53 0.00 0.08 0.00 0.00 0.00 0.00 30.24 30.85 3i1o n GLN 125 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 3i1o n PHE 126 N -2.52 -1.39 -0.16 1.08 1.16 -1.26 -5.17 117.46 109.20 3i1o n PHE 126 Ca 0.00 -1.16 -0.06 0.00 -1.87 0.00 0.00 57.45 54.36 3i1o n PHE 126 Cb 0.00 1.25 0.06 0.00 -1.61 0.00 0.00 39.48 39.17 3i1o n PHE 126 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3i1o n SER 127 N -0.96 -2.18 0.00 5.98 3.41 -1.26 -3.82 113.62 114.79 3i1o n SER 127 Ca -0.12 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3i1o n SER 127 Cb 0.75 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3i1o n SER 127 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3i1o n LYS 128 N -2.63 0.00 -0.99 4.33 3.00 -1.26 -5.35 118.16 115.26 3i1o n LYS 128 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 3i1o n LYS 128 Cb 0.12 -2.72 0.00 0.00 0.00 0.00 0.00 35.03 32.43 3i1o n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94