#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm h THR 2 N 0.00 0.70 -3.03 0.00 1.03 -1.75 -3.14 112.91 106.71 1orm h THR 2 Ca 0.00 -0.17 -0.62 0.00 -0.01 0.00 0.00 66.41 65.61 1orm h THR 2 Cb 0.00 0.17 -0.41 0.00 -1.07 0.00 0.00 68.15 66.84 1orm h THR 2 CO 0.00 0.09 -0.66 -0.44 -0.01 0.00 0.00 175.52 174.50 1orm s SER 3 N -5.62 4.12 0.00 0.00 0.01 -1.26 -4.72 113.70 106.23 1orm s SER 3 Ca -0.09 -3.42 0.06 0.00 1.31 0.00 0.00 55.95 53.81 1orm s SER 3 Cb 0.23 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 1orm s SER 3 CO 0.79 -0.15 -0.19 0.28 0.41 0.00 0.00 173.24 174.38 1orm s THR 4 N -0.79 2.69 -0.10 1.44 -1.32 -1.19 -3.62 115.64 112.76 1orm s THR 4 Ca 0.23 -1.05 -0.05 0.00 -1.21 0.00 0.00 61.69 59.62 1orm s THR 4 Cb -0.10 -2.07 0.05 0.00 -1.51 0.00 0.00 72.50 68.86 1orm s THR 4 CO -0.12 0.46 0.23 0.54 -2.21 0.00 0.00 174.62 173.52 1orm s VAL 5 N -0.80 -0.09 -0.11 5.08 0.11 -1.26 -4.82 120.40 118.52 1orm s VAL 5 Ca 0.13 0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 59.30 1orm s VAL 5 Cb -0.10 -0.36 0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1orm s VAL 5 CO 0.03 0.07 0.24 0.28 -3.33 0.00 0.00 175.10 172.38 1orm s THR 6 N 1.41 -0.16 -0.37 5.04 -1.32 -1.26 -3.81 115.64 115.17 1orm s THR 6 Ca -0.08 0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1orm s THR 6 Cb -0.11 -0.38 0.14 0.00 -1.51 0.00 0.00 72.50 70.65 1orm s THR 6 CO -0.08 0.08 0.23 -0.83 -2.21 0.00 0.00 174.62 171.82 1orm s GLY 7 N 1.65 0.99 0.00 6.08 0.00 -1.26 -4.37 107.32 110.41 1orm s GLY 7 Ca -0.06 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.64 1orm s GLY 7 CO -0.08 2.04 0.00 0.61 0.00 0.00 0.00 173.10 175.67 1orm n GLY 8 N 3.81 7.43 3.05 0.20 0.00 -1.26 -4.68 105.19 113.74 1orm n GLY 8 Ca 0.14 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1orm n GLY 8 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1orm s TYR 9 N 0.71 -0.24 0.62 1.61 1.13 -1.21 -4.66 117.35 115.31 1orm s TYR 9 Ca 0.00 0.59 -0.02 0.00 -1.41 0.00 0.00 57.07 56.23 1orm s TYR 9 Cb 0.00 0.05 0.05 0.00 -1.10 0.00 0.00 41.96 40.96 1orm s TYR 9 CO 0.00 -0.15 0.88 0.00 -2.51 0.00 0.00 175.55 173.78 1orm s ALA 10 N 0.56 3.59 -0.31 9.51 0.00 -0.66 -4.13 121.76 130.32 1orm s ALA 10 Ca -0.04 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.76 1orm s ALA 10 Cb -0.05 -2.28 0.19 0.00 0.00 0.00 0.00 23.12 20.99 1orm s ALA 10 CO -0.03 -1.01 0.68 -1.14 0.00 0.00 0.00 175.76 174.25 1orm s GLN 11 N -4.98 0.53 0.16 0.00 0.74 -1.07 -3.71 119.66 111.33 1orm s GLN 11 Ca 0.59 0.34 0.11 0.00 0.05 0.00 0.00 55.36 56.45 1orm s GLN 11 Cb -0.10 0.19 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 1orm s GLN 11 CO 0.41 -0.94 -0.22 -1.54 -0.55 0.00 0.00 175.29 172.46 1orm s SER 12 N 2.66 3.60 0.72 6.67 1.04 -1.26 0.34 113.70 127.46 1orm s SER 12 Ca 0.14 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.84 1orm s SER 12 Cb -0.07 -0.36 0.14 0.00 0.10 0.00 0.00 66.02 65.82 1orm s SER 12 CO -0.22 0.14 0.98 -1.81 0.98 0.00 0.00 173.24 173.31 1orm s ASP 13 N -2.46 4.36 -0.43 7.02 -0.00 -1.22 -4.38 116.67 119.56 1orm s ASP 13 Ca 0.19 -0.59 0.05 0.00 -0.00 0.00 0.00 52.55 52.20 1orm s ASP 13 Cb -0.09 0.28 0.17 0.00 -0.00 0.00 0.00 42.92 43.28 1orm s ASP 13 CO 0.10 -1.87 0.49 0.00 -0.00 0.00 0.00 175.17 173.89 1orm s ALA 14 N -3.09 -0.53 0.00 5.23 0.00 -1.26 -3.82 121.76 118.30 1orm s ALA 14 Ca 0.67 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1orm s ALA 14 Cb -0.04 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1orm s ALA 14 CO 0.44 -2.13 0.00 0.94 0.00 0.00 0.00 175.76 175.01 1orm n GLN 15 N 3.40 0.00 -2.74 0.00 7.27 -1.26 -3.66 117.38 120.39 1orm n GLN 15 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.22 1orm n GLN 15 Cb 0.50 0.00 0.02 0.00 2.41 0.00 0.00 30.24 33.17 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1orm n GLY 16 N 0.00 -0.77 2.01 1.69 0.00 -1.26 -5.00 105.19 101.87 1orm n GLY 16 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1orm n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1orm n GLN 17 N 2.80 0.00 -2.75 1.61 1.13 -1.24 -5.12 117.38 113.80 1orm n GLN 17 Ca 0.16 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.21 1orm n GLN 17 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.93 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1orm n MET 18 N -2.68 -3.29 0.00 -1.09 0.00 -1.26 -5.02 117.12 103.78 1orm n MET 18 Ca 0.00 2.67 0.00 0.00 -0.00 0.00 0.00 57.70 60.37 1orm n MET 18 Cb 0.00 -5.27 0.00 0.00 0.00 0.00 0.00 33.22 27.95 1orm n MET 18 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1orm n ASN 19 N 0.62 0.00 -0.21 6.12 3.02 -1.26 -5.09 115.26 118.47 1orm n ASN 19 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1orm n ASN 19 Cb 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1orm n ASN 19 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1orm n LYS 20 N 0.00 0.40 0.08 3.52 5.02 -1.26 -3.99 118.16 121.92 1orm n LYS 20 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1orm n LYS 20 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1orm n LYS 20 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1orm n MET 21 N 0.00 0.00 0.00 1.97 1.56 -1.24 -4.93 117.12 114.47 1orm n MET 21 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1orm n MET 21 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1orm n MET 21 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1orm n GLY 22 N -1.22 0.60 0.00 -5.12 0.00 -1.26 -1.65 105.19 96.54 1orm n GLY 22 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1orm n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 23 N 0.00 -1.24 3.63 -0.02 0.00 -1.23 -4.22 105.19 102.11 1orm n GLY 23 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 46.02 46.69 1orm n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1orm s PHE 24 N 1.51 -1.03 -1.03 1.61 0.08 -1.26 -4.82 117.98 113.03 1orm s PHE 24 Ca 0.00 1.97 -0.11 0.00 0.12 0.00 0.00 56.93 58.91 1orm s PHE 24 Cb 0.00 0.62 0.25 0.00 -0.57 0.00 0.00 43.02 43.31 1orm s PHE 24 CO 0.00 -0.51 1.04 -0.80 -0.10 0.00 0.00 175.22 174.85 1orm s ASN 25 N 1.89 7.12 -0.82 1.36 -0.87 -1.26 -4.78 114.94 117.57 1orm s ASN 25 Ca -0.09 -3.24 -0.18 0.00 -1.57 0.00 0.00 52.86 47.78 1orm s ASN 25 Cb -0.06 -2.23 0.14 0.00 -0.02 0.00 0.00 41.25 39.07 1orm s ASN 25 CO -0.19 -0.43 0.97 -0.22 -2.57 0.00 0.00 177.10 174.66 1orm s LEU 26 N -0.50 5.35 -0.05 0.60 2.96 -1.26 -4.51 118.68 121.27 1orm s LEU 26 Ca 0.28 -1.94 -0.01 0.00 -0.22 0.00 0.00 54.13 52.24 1orm s LEU 26 Cb -0.09 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1orm s LEU 26 CO -0.08 -1.03 0.01 -1.59 -1.32 0.00 0.00 176.35 172.35 1orm s LYS 27 N 2.38 2.93 -0.25 1.98 -2.85 -1.26 -4.74 119.74 117.92 1orm s LYS 27 Ca 0.25 -0.48 -0.02 0.00 -1.00 0.00 0.00 55.97 54.72 1orm s LYS 27 Cb -0.10 -2.76 0.14 0.00 -2.06 0.00 0.00 37.83 33.04 1orm s LYS 27 CO -0.04 0.67 0.40 -0.47 0.10 0.00 0.00 175.35 176.01 1orm s TYR 28 N -0.98 -0.93 0.00 1.78 5.04 -1.26 -4.73 117.35 116.27 1orm s TYR 28 Ca 0.16 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.67 1orm s TYR 28 Cb -0.11 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.25 1orm s TYR 28 CO 0.06 -0.77 0.00 -2.13 -1.34 0.00 0.00 175.55 171.38 1orm n ARG 29 N 5.37 0.92 -4.28 4.97 3.00 -1.26 -4.89 116.66 120.49 1orm n ARG 29 Ca -0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.61 1orm n ARG 29 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.85 1orm n ARG 29 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1orm s TYR 30 N -0.08 1.64 -0.25 -0.14 5.04 -1.26 -4.22 117.35 118.07 1orm s TYR 30 Ca 0.00 -0.48 -0.06 0.00 -2.44 0.00 0.00 57.07 54.09 1orm s TYR 30 Cb 0.00 -0.85 0.12 0.00 0.35 0.00 0.00 41.96 41.58 1orm s TYR 30 CO 0.00 0.22 0.51 -2.00 -1.34 0.00 0.00 175.55 172.94 1orm s GLU 31 N -2.46 0.44 -0.34 4.97 -6.30 -1.26 -4.72 118.70 109.03 1orm s GLU 31 Ca 0.10 1.07 0.16 0.00 -2.50 0.00 0.00 54.97 53.80 1orm s GLU 31 Cb -0.07 0.39 0.42 0.00 0.00 0.00 0.00 34.13 34.87 1orm s GLU 31 CO 0.05 -0.36 0.87 -1.91 0.02 0.00 0.00 175.26 173.93 1orm n GLU 32 N 5.41 1.08 0.00 4.30 2.13 -1.26 -4.30 120.64 128.00 1orm n GLU 32 Ca -0.07 -3.29 0.00 0.00 0.66 0.00 0.00 57.16 54.45 1orm n GLU 32 Cb 0.50 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1orm n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1orm n ASP 33 N 0.06 0.00 0.00 4.31 10.43 -1.26 -4.96 116.55 125.13 1orm n ASP 33 Ca 0.15 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.51 1orm n ASP 33 Cb 0.76 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.72 1orm n ASP 33 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1orm n ASN 34 N 0.00 0.00 0.00 -2.24 3.02 -1.26 -4.39 115.26 110.39 1orm n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1orm n ASN 34 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1orm n ASN 34 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1orm n SER 35 N 2.94 0.00 0.06 6.41 7.64 -1.26 -4.64 113.62 124.77 1orm n SER 35 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1orm n SER 35 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1orm n SER 35 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1orm h PRO 36 N 0.00 -0.19 -0.12 1.43 0.13 -1.88 -3.37 132.00 128.00 1orm h PRO 36 Ca 0.00 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.31 1orm h PRO 36 Cb 0.00 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 31.00 1orm h PRO 36 CO 0.00 -0.13 -0.05 -0.48 -0.23 0.00 0.00 178.00 177.11 1orm s LEU 37 N -6.90 -0.19 -0.04 1.56 0.05 -1.26 -5.00 118.68 106.90 1orm s LEU 37 Ca -0.03 -0.07 -0.30 0.00 0.05 0.00 0.00 54.13 53.78 1orm s LEU 37 Cb 0.00 0.38 -0.07 0.00 -2.05 0.00 0.00 46.19 44.46 1orm s LEU 37 CO 0.09 -0.02 1.84 -0.83 -0.55 0.00 0.00 176.35 176.87 1orm s GLY 38 N 2.15 1.38 -1.06 -3.48 0.00 -1.26 -4.89 107.32 100.16 1orm s GLY 38 Ca 0.17 1.05 -0.01 0.00 0.00 0.00 0.00 44.72 45.93 1orm s GLY 38 CO -0.17 3.29 1.89 -0.62 0.00 0.00 0.00 173.10 177.49 1orm n VAL 39 N 5.80 6.01 -2.09 1.40 0.31 -1.26 -2.67 118.33 125.82 1orm n VAL 39 Ca 0.20 -5.80 -0.31 0.00 -0.01 0.00 0.00 64.34 58.41 1orm n VAL 39 Cb 0.42 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1orm n VAL 39 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1orm s ILE 40 N -4.04 4.64 -0.43 2.52 -4.36 -1.26 -5.02 121.20 113.25 1orm s ILE 40 Ca 0.41 1.01 0.08 0.00 -0.26 0.00 0.00 60.65 61.88 1orm s ILE 40 Cb 0.19 -3.81 0.27 0.00 1.25 0.00 0.00 42.46 40.36 1orm s ILE 40 CO -0.13 -0.96 0.74 0.61 0.24 0.00 0.00 174.94 175.45 1orm n GLY 41 N -2.27 1.70 3.97 6.27 0.00 -1.26 -4.36 105.19 109.24 1orm n GLY 41 Ca 0.06 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1orm n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1orm s SER 42 N -1.53 4.26 -0.26 1.61 1.04 -1.26 -5.02 113.70 112.53 1orm s SER 42 Ca 0.33 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.65 1orm s SER 42 Cb 0.23 -0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.15 1orm s SER 42 CO -0.15 -1.93 -0.03 -0.36 0.98 0.00 0.00 173.24 171.75 1orm s PHE 43 N -3.26 2.58 -0.61 5.02 0.40 -1.26 -4.76 117.98 116.09 1orm s PHE 43 Ca 0.66 -1.95 -0.24 0.00 -0.60 0.00 0.00 56.93 54.79 1orm s PHE 43 Cb -0.06 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.74 1orm s PHE 43 CO 0.45 -0.81 1.02 0.95 0.70 0.00 0.00 175.22 177.53 1orm s THR 44 N 1.33 4.24 0.01 0.64 -4.23 -1.26 -4.83 115.64 111.55 1orm s THR 44 Ca -0.03 0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.39 1orm s THR 44 Cb -0.19 -4.65 -0.04 0.00 1.34 0.00 0.00 72.50 68.96 1orm s THR 44 CO -0.08 -1.33 0.86 -0.31 -0.54 0.00 0.00 174.62 173.21 1orm s TYR 45 N 4.33 3.68 -0.23 3.99 2.02 -1.26 -4.43 117.35 125.45 1orm s TYR 45 Ca 0.30 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.56 1orm s TYR 45 Cb -0.13 -2.96 0.05 0.00 -0.40 0.00 0.00 41.96 38.53 1orm s TYR 45 CO 0.17 0.12 -0.09 0.95 -1.57 0.00 0.00 175.55 175.13 1orm s THR 46 N 0.53 1.76 -0.06 -0.71 -4.23 -1.26 -3.55 115.64 108.12 1orm s THR 46 Ca 0.44 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1orm s THR 46 Cb -0.20 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1orm s THR 46 CO 0.25 -0.00 -0.10 -1.61 -0.54 0.00 0.00 174.62 172.61 1orm s GLU 47 N 1.30 2.66 -0.26 3.99 0.41 -1.26 -4.65 118.70 120.90 1orm s GLU 47 Ca -0.05 -0.62 0.01 0.00 -0.41 0.00 0.00 54.97 53.90 1orm s GLU 47 Cb -0.18 -2.50 0.05 0.00 -1.78 0.00 0.00 34.13 29.72 1orm s GLU 47 CO -0.06 0.63 -0.09 0.21 -0.49 0.00 0.00 175.26 175.45 1orm s LYS 48 N -0.73 2.39 0.00 1.61 2.20 -1.26 -4.25 119.74 119.70 1orm s LYS 48 Ca 0.11 -1.26 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1orm s LYS 48 Cb -0.11 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1orm s LYS 48 CO 0.01 -0.54 0.00 0.43 -0.36 0.00 0.00 175.35 174.89 1orm n SER 49 N 4.50 0.00 -2.16 1.43 7.64 -1.26 -4.24 113.62 119.53 1orm n SER 49 Ca -0.15 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.72 1orm n SER 49 Cb 0.43 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 1orm n SER 49 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1orm n ARG 50 N 0.00 -4.19 -3.23 1.43 0.63 -1.25 -4.68 116.66 105.37 1orm n ARG 50 Ca 0.00 3.15 -0.13 0.00 -0.92 0.00 0.00 57.85 59.95 1orm n ARG 50 Cb 0.00 -4.05 0.01 0.00 0.45 0.00 0.00 32.46 28.87 1orm n ARG 50 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1orm n THR 51 N 1.49 -2.53 -0.01 5.15 -2.24 -1.26 -4.96 114.28 109.92 1orm n THR 51 Ca -0.07 0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 62.05 1orm n THR 51 Cb 0.11 -3.08 -0.00 0.00 -2.10 0.00 0.00 70.33 65.25 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1orm n ALA 52 N 0.80 0.12 -2.92 6.98 0.00 -1.26 -4.93 120.51 119.31 1orm n ALA 52 Ca -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1orm n ALA 52 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1orm n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm s SER 53 N -4.24 -1.34 -1.16 0.00 0.15 -1.26 -4.97 113.70 100.89 1orm s SER 53 Ca -0.04 -1.21 -0.04 0.00 0.70 0.00 0.00 55.95 55.36 1orm s SER 53 Cb 0.00 1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 66.03 1orm s SER 53 CO 0.05 -0.09 0.90 -0.24 1.20 0.00 0.00 173.24 175.06 1orm n SER 54 N 3.48 -3.84 0.19 5.45 2.88 -1.26 -4.86 113.62 115.67 1orm n SER 54 Ca 0.14 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.96 1orm n SER 54 Cb 0.57 -4.82 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1orm n GLY 55 N -1.29 -1.12 5.00 0.46 0.00 -1.26 -5.03 105.19 101.94 1orm n GLY 55 Ca -0.20 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1orm n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1orm n ASP 56 N -3.41 0.00 0.00 1.61 8.00 -1.26 -3.82 116.55 117.68 1orm n ASP 56 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1orm n ASP 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1orm n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1orm n TYR 57 N 0.00 0.00 -3.91 1.24 4.01 -1.26 -3.95 117.16 113.29 1orm n TYR 57 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.39 1orm n TYR 57 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 1orm n TYR 57 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1orm s ASN 58 N 0.00 5.79 0.21 7.72 3.84 -1.26 -4.37 114.94 126.87 1orm s ASN 58 Ca 0.00 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.18 1orm s ASN 58 Cb 0.00 -2.00 0.00 0.00 -0.55 0.00 0.00 41.25 38.70 1orm s ASN 58 CO 0.00 0.16 0.00 1.17 -2.79 0.00 0.00 177.10 175.64 1orm n LYS 59 N 3.61 0.00 -0.68 0.43 4.81 -1.26 -4.63 118.16 120.44 1orm n LYS 59 Ca -0.16 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 56.96 1orm n LYS 59 Cb 0.52 -0.05 0.17 0.00 0.02 0.00 0.00 35.03 35.69 1orm n LYS 59 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1orm n ASN 60 N -3.28 -1.19 -4.89 3.14 4.13 -1.26 -4.99 115.26 106.92 1orm n ASN 60 Ca 0.00 0.22 -0.33 0.00 1.68 0.00 0.00 54.58 56.15 1orm n ASN 60 Cb 0.01 -1.28 -0.05 0.00 -1.54 0.00 0.00 39.78 36.92 1orm n ASN 60 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1orm s GLN 61 N -4.10 3.40 -0.13 3.52 1.11 -1.26 -5.00 119.66 117.20 1orm s GLN 61 Ca 0.62 -0.33 -0.09 0.00 0.01 0.00 0.00 55.36 55.58 1orm s GLN 61 Cb -0.21 -3.07 -0.04 0.00 -1.01 0.00 0.00 33.01 28.67 1orm s GLN 61 CO 0.64 0.68 0.17 0.71 0.01 0.00 0.00 175.29 177.49 1orm s TYR 62 N -1.30 3.56 0.12 0.91 2.02 -1.26 -5.02 117.35 116.38 1orm s TYR 62 Ca 0.26 0.53 -0.25 0.00 -0.37 0.00 0.00 57.07 57.24 1orm s TYR 62 Cb -0.13 -2.04 0.08 0.00 -0.40 0.00 0.00 41.96 39.47 1orm s TYR 62 CO 0.17 0.60 0.69 -0.47 -1.57 0.00 0.00 175.55 174.98 1orm s TYR 63 N -0.64 -0.47 0.00 2.71 5.04 -1.26 -4.19 117.35 118.54 1orm s TYR 63 Ca 0.14 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1orm s TYR 63 Cb -0.12 0.56 0.00 0.00 0.35 0.00 0.00 41.96 42.75 1orm s TYR 63 CO 0.03 -0.78 0.00 0.41 -1.34 0.00 0.00 175.55 173.88 1orm n GLY 64 N -0.35 3.33 3.23 8.97 0.00 -1.26 -4.69 105.19 114.42 1orm n GLY 64 Ca -0.14 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1orm n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1orm s ILE 65 N -0.30 2.02 0.00 -0.61 1.10 -1.26 -5.00 121.20 117.15 1orm s ILE 65 Ca 0.00 -1.01 0.07 0.00 -0.51 0.00 0.00 60.65 59.19 1orm s ILE 65 Cb 0.00 -1.73 -0.02 0.00 0.15 0.00 0.00 42.46 40.86 1orm s ILE 65 CO 0.00 0.55 -0.21 0.28 -2.11 0.00 0.00 174.94 173.45 1orm s THR 66 N 0.17 1.69 -0.27 4.00 -1.32 -1.26 -4.01 115.64 114.63 1orm s THR 66 Ca -0.13 -1.00 -0.24 0.00 -1.21 0.00 0.00 61.69 59.11 1orm s THR 66 Cb -0.16 -1.42 0.08 0.00 -1.51 0.00 0.00 72.50 69.49 1orm s THR 66 CO 0.07 0.40 0.79 0.00 -2.21 0.00 0.00 174.62 173.67 1orm s ALA 67 N -0.59 -1.85 0.00 11.08 0.00 -1.26 -4.45 121.76 124.69 1orm s ALA 67 Ca 0.08 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1orm s ALA 67 Cb -0.08 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1orm s ALA 67 CO -0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1orm n GLY 68 N 2.82 0.06 0.08 0.00 0.00 -1.09 -4.73 105.19 102.34 1orm n GLY 68 Ca -0.15 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1orm n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1orm h PRO 69 N 0.00 0.08 -2.69 1.61 0.13 -1.83 -3.42 132.00 125.88 1orm h PRO 69 Ca 0.00 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.94 1orm h PRO 69 Cb 0.00 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 30.91 1orm h PRO 69 CO 0.00 0.81 -0.21 0.00 -0.23 0.00 0.00 178.00 178.37 1orm s ALA 70 N -3.23 -1.07 0.59 -0.56 0.00 -1.26 -4.65 121.76 111.58 1orm s ALA 70 Ca -0.17 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.07 1orm s ALA 70 Cb 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 23.12 22.48 1orm s ALA 70 CO 0.71 -0.21 0.82 -0.47 0.00 0.00 0.00 175.76 176.61 1orm s TYR 71 N 0.30 1.99 0.06 0.00 5.04 -1.26 -4.75 117.35 118.72 1orm s TYR 71 Ca -0.01 -0.38 -0.38 0.00 -2.44 0.00 0.00 57.07 53.87 1orm s TYR 71 Cb -0.03 -2.61 -0.18 0.00 0.35 0.00 0.00 41.96 39.49 1orm s TYR 71 CO -0.00 -1.17 1.24 0.54 -1.34 0.00 0.00 175.55 174.82 1orm n ARG 72 N -2.40 0.73 -5.01 4.97 1.74 -1.26 -4.80 116.66 110.63 1orm n ARG 72 Ca 0.13 0.26 -0.29 0.00 -0.77 0.00 0.00 57.85 57.18 1orm n ARG 72 Cb 0.60 -1.85 -0.15 0.00 -1.02 0.00 0.00 32.46 30.04 1orm n ARG 72 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1orm s ILE 73 N 0.30 1.92 0.00 0.55 -1.16 -1.26 -4.06 121.20 117.48 1orm s ILE 73 Ca 0.87 -1.16 0.00 0.00 -0.51 0.00 0.00 60.65 59.84 1orm s ILE 73 Cb -1.07 -1.62 0.00 0.00 0.61 0.00 0.00 42.46 40.38 1orm s ILE 73 CO 0.51 0.42 0.00 0.59 -2.81 0.00 0.00 174.94 173.65 1orm n ASN 74 N 2.16 0.00 0.00 4.50 4.13 -1.26 -4.97 115.26 119.82 1orm n ASN 74 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1orm n ASN 74 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1orm n ASN 74 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1orm n ASP 75 N 0.00 1.06 -3.54 6.41 8.00 -1.26 -4.94 116.55 122.28 1orm n ASP 75 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1orm n ASP 75 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 1orm n ASP 75 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1orm s TRP 76 N -2.00 1.25 0.06 1.24 0.51 -1.26 -5.02 118.94 113.72 1orm s TRP 76 Ca 0.00 -2.03 -0.11 0.00 -2.12 0.00 0.00 56.10 51.83 1orm s TRP 76 Cb 0.00 -1.26 -0.03 0.00 -0.81 0.00 0.00 33.47 31.37 1orm s TRP 76 CO 0.00 -0.81 1.20 0.00 -0.51 0.00 0.00 176.95 176.83 1orm n ALA 77 N 3.62 -0.24 -3.24 0.98 0.00 -1.26 -4.80 120.51 115.58 1orm n ALA 77 Ca 0.14 0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.75 1orm n ALA 77 Cb 0.38 0.26 0.07 0.00 0.00 0.00 0.00 19.45 20.16 1orm n ALA 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1orm n SER 78 N -3.83 -5.30 -4.86 0.00 3.41 -1.26 -4.29 113.62 97.48 1orm n SER 78 Ca 0.01 -0.66 -0.31 0.00 -0.26 0.00 0.00 58.87 57.64 1orm n SER 78 Cb 0.10 -5.02 0.00 0.00 -0.26 0.00 0.00 64.21 59.03 1orm n SER 78 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1orm s ILE 79 N -3.37 4.66 -0.19 -1.33 1.01 -1.26 -4.59 121.20 116.13 1orm s ILE 79 Ca 0.32 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 61.90 1orm s ILE 79 Cb -0.04 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.65 1orm s ILE 79 CO 0.71 -1.06 -0.02 -0.31 0.00 0.00 0.00 174.94 174.26 1orm s TYR 80 N -3.07 1.62 0.00 3.97 1.51 -1.26 0.19 117.35 120.30 1orm s TYR 80 Ca 0.56 -1.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 1orm s TYR 80 Cb -0.11 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1orm s TYR 80 CO 0.50 -0.65 0.13 0.41 -1.11 0.00 0.00 175.55 174.83 1orm n GLY 81 N 4.89 -0.95 3.71 0.71 0.00 -0.91 -4.65 105.19 108.00 1orm n GLY 81 Ca -0.11 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1orm n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 82 N -0.30 0.00 -0.25 1.61 0.11 -1.22 -4.72 120.40 115.63 1orm s VAL 82 Ca 0.00 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1orm s VAL 82 Cb 0.00 -2.19 0.11 0.00 -1.53 0.00 0.00 36.38 32.76 1orm s VAL 82 CO 0.00 0.00 0.22 0.68 -3.33 0.00 0.00 175.10 172.67 1orm s VAL 83 N -2.51 -0.28 0.00 2.04 -7.23 -1.26 -3.88 120.40 107.28 1orm s VAL 83 Ca 0.16 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 1orm s VAL 83 Cb 0.02 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1orm s VAL 83 CO -0.02 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1orm n GLY 84 N 5.30 6.29 3.08 2.32 0.00 -1.23 -4.74 105.19 116.21 1orm n GLY 84 Ca -0.04 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 1orm n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 85 N 0.23 -0.02 0.57 1.61 0.11 -1.26 -3.89 120.40 117.76 1orm s VAL 85 Ca 0.00 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.95 1orm s VAL 85 Cb 0.00 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1orm s VAL 85 CO 0.00 0.03 1.06 -0.83 -3.33 0.00 0.00 175.10 172.03 1orm s GLY 86 N 0.65 2.24 -0.11 6.54 0.00 -1.26 -4.62 107.32 110.76 1orm s GLY 86 Ca -0.04 0.48 -0.03 0.00 0.00 0.00 0.00 44.72 45.12 1orm s GLY 86 CO -0.04 0.80 0.02 -0.19 0.00 0.00 0.00 173.10 173.69 1orm s TYR 87 N -2.31 3.21 -1.08 1.90 1.51 -1.26 -4.73 117.35 114.58 1orm s TYR 87 Ca 0.65 0.16 -0.16 0.00 -1.01 0.00 0.00 57.07 56.72 1orm s TYR 87 Cb -0.17 -1.86 0.15 0.00 -0.11 0.00 0.00 41.96 39.97 1orm s TYR 87 CO 0.33 0.40 1.30 0.20 -1.11 0.00 0.00 175.55 176.67 1orm s GLY 88 N -0.60 2.19 -0.46 0.71 0.00 -1.26 -4.68 107.32 103.22 1orm s GLY 88 Ca 0.10 -3.10 0.06 0.00 0.00 0.00 0.00 44.72 41.79 1orm s GLY 88 CO 0.02 2.03 1.07 0.58 0.00 0.00 0.00 173.10 176.80 1orm n LYS 89 N 6.05 0.97 -2.97 2.90 2.85 -1.26 -4.64 118.16 122.07 1orm n LYS 89 Ca 0.31 -1.93 -0.33 0.00 -1.05 0.00 0.00 58.31 55.32 1orm n LYS 89 Cb 0.46 -1.13 -0.06 0.00 -0.65 0.00 0.00 35.03 33.65 1orm n LYS 89 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1orm s PHE 90 N 0.29 3.35 0.48 5.58 0.40 -1.25 -4.73 117.98 122.10 1orm s PHE 90 Ca 0.24 1.38 0.07 0.00 -0.60 0.00 0.00 56.93 58.02 1orm s PHE 90 Cb 0.28 -2.67 0.01 0.00 0.51 0.00 0.00 43.02 41.14 1orm s PHE 90 CO -0.09 -0.02 0.39 -0.65 0.70 0.00 0.00 175.22 175.55 1orm s GLN 91 N -3.14 2.36 -0.17 0.44 -1.52 -1.26 -2.01 119.66 114.35 1orm s GLN 91 Ca 0.58 -1.79 -0.16 0.00 -1.95 0.00 0.00 55.36 52.03 1orm s GLN 91 Cb -0.10 -2.22 0.04 0.00 -0.22 0.00 0.00 33.01 30.52 1orm s GLN 91 CO 0.17 -0.41 0.46 0.99 -0.25 0.00 0.00 175.29 176.25 1orm s THR 92 N -2.63 0.00 0.00 -0.19 2.01 -0.72 -3.80 115.64 110.31 1orm s THR 92 Ca 0.42 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1orm s THR 92 Cb -0.02 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1orm s THR 92 CO 0.25 -0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.59 1orm n THR 93 N 2.82 0.00 0.00 -0.82 -1.04 -1.25 -3.28 114.28 110.71 1orm n THR 93 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1orm n THR 93 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1orm n THR 93 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1orm n GLU 94 N 0.00 0.00 -3.54 -2.82 0.28 -1.26 -4.75 120.64 108.55 1orm n GLU 94 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1orm n GLU 94 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1orm s TYR 95 N 0.00 -0.38 -0.28 -1.84 2.02 -1.20 -5.03 117.35 110.64 1orm s TYR 95 Ca 0.00 0.11 0.28 0.00 -0.37 0.00 0.00 57.07 57.09 1orm s TYR 95 Cb 0.00 0.47 0.88 0.00 -0.40 0.00 0.00 41.96 42.90 1orm s TYR 95 CO 0.00 -0.84 1.79 -1.00 -1.57 0.00 0.00 175.55 173.93 1orm h PRO 96 N 2.12 0.00 -0.16 -1.71 0.13 -2.02 -3.02 132.00 127.34 1orm h PRO 96 Ca -0.33 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 1orm h PRO 96 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1orm h PRO 96 CO 0.39 0.00 -0.52 1.15 -0.23 0.00 0.00 178.00 178.79 1orm h THR 97 N 0.00 1.33 -3.62 1.56 2.02 -1.96 -3.39 112.91 108.86 1orm h THR 97 Ca 0.00 -1.77 -0.68 0.00 0.77 0.00 0.00 66.41 64.73 1orm h THR 97 Cb 0.70 1.78 -0.37 0.00 -1.74 0.00 0.00 68.15 68.52 1orm h THR 97 CO 0.00 0.54 -0.65 -0.31 0.37 0.00 0.00 175.52 175.47 1orm s TYR 98 N -4.00 3.63 0.03 3.16 2.02 -1.14 -5.07 117.35 115.98 1orm s TYR 98 Ca -0.06 -2.64 -0.03 0.00 -0.37 0.00 0.00 57.07 53.97 1orm s TYR 98 Cb 0.12 -2.95 -0.02 0.00 -0.40 0.00 0.00 41.96 38.71 1orm s TYR 98 CO 0.82 -0.95 0.03 -1.59 -1.57 0.00 0.00 175.55 172.29 1orm s LYS 99 N 1.04 0.47 -1.18 -0.62 -2.85 -1.26 -1.75 119.74 113.58 1orm s LYS 99 Ca 0.08 -0.73 -0.03 0.00 -1.00 0.00 0.00 55.97 54.28 1orm s LYS 99 Cb -0.21 0.18 0.22 0.00 -2.06 0.00 0.00 37.83 35.96 1orm s LYS 99 CO -0.06 -0.10 2.11 0.09 0.10 0.00 0.00 175.35 177.49 1orm n ASN 100 N 1.07 7.69 -4.72 0.03 3.02 -0.85 -4.79 115.26 116.71 1orm n ASN 100 Ca -0.21 -3.40 -0.42 0.00 -0.03 0.00 0.00 54.58 50.52 1orm n ASN 100 Cb 0.57 -1.27 -0.03 0.00 -0.61 0.00 0.00 39.78 38.44 1orm n ASN 100 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1orm s ASP 101 N -0.45 7.05 -0.29 6.41 2.15 -1.25 -3.82 116.67 126.47 1orm s ASP 101 Ca 0.47 2.08 -0.30 0.00 0.43 0.00 0.00 52.55 55.22 1orm s ASP 101 Cb 0.19 -2.58 0.19 0.00 -0.30 0.00 0.00 42.92 40.41 1orm s ASP 101 CO -0.11 -0.48 1.37 0.28 -0.17 0.00 0.00 175.17 176.06 1orm s THR 102 N 0.93 0.00 -0.63 1.71 -1.32 -1.26 -5.02 115.64 110.05 1orm s THR 102 Ca 0.59 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.80 1orm s THR 102 Cb -0.31 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.66 1orm s THR 102 CO 0.30 0.00 1.83 -0.44 -2.21 0.00 0.00 174.62 174.10 1orm s SER 103 N -1.12 5.32 -0.27 8.08 0.01 -1.26 -4.59 113.70 119.87 1orm s SER 103 Ca 0.09 0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.63 1orm s SER 103 Cb -0.01 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.74 1orm s SER 103 CO -0.08 -2.35 -0.07 -1.81 0.41 0.00 0.00 173.24 169.34 1orm s ASP 104 N 7.82 4.59 -0.64 2.44 1.01 -1.26 -5.05 116.67 125.58 1orm s ASP 104 Ca 0.65 -1.34 -0.03 0.00 0.71 0.00 0.00 52.55 52.54 1orm s ASP 104 Cb -0.12 -1.61 0.17 0.00 1.01 0.00 0.00 42.92 42.37 1orm s ASP 104 CO 0.20 -0.21 0.46 -0.31 0.21 0.00 0.00 175.17 175.52 1orm s TYR 105 N 1.16 3.42 -0.98 4.23 2.02 -1.26 -4.23 117.35 121.71 1orm s TYR 105 Ca -0.08 -2.69 -0.04 0.00 -0.37 0.00 0.00 57.07 53.89 1orm s TYR 105 Cb -0.20 -3.23 0.24 0.00 -0.40 0.00 0.00 41.96 38.38 1orm s TYR 105 CO -0.04 -0.84 0.92 0.41 -1.57 0.00 0.00 175.55 174.43 1orm n GLY 106 N 3.47 4.18 3.69 0.71 0.00 -1.26 -4.69 105.19 111.30 1orm n GLY 106 Ca 0.08 -2.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.09 1orm n GLY 106 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1orm s PHE 107 N -1.40 2.41 -0.19 1.61 0.40 -1.26 -4.03 117.98 115.52 1orm s PHE 107 Ca 0.29 0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.78 1orm s PHE 107 Cb -0.08 -4.06 -0.03 0.00 0.51 0.00 0.00 43.02 39.37 1orm s PHE 107 CO -0.11 -4.24 0.03 -1.54 0.70 0.00 0.00 175.22 170.06 1orm s SER 108 N 2.33 5.24 0.00 1.36 1.04 -1.25 -4.08 113.70 118.33 1orm s SER 108 Ca 0.76 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 57.14 1orm s SER 108 Cb -0.43 -1.89 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 1orm s SER 108 CO 0.34 0.13 -0.00 -0.72 0.98 0.00 0.00 173.24 173.97 1orm s TYR 109 N 0.62 0.09 -0.30 5.02 -0.85 -1.26 -3.57 117.35 117.09 1orm s TYR 109 Ca 0.01 -0.18 -0.20 0.00 -0.52 0.00 0.00 57.07 56.19 1orm s TYR 109 Cb -0.14 -0.07 0.20 0.00 0.38 0.00 0.00 41.96 42.33 1orm s TYR 109 CO 0.02 -0.08 1.30 0.20 -1.52 0.00 0.00 175.55 175.47 1orm s GLY 110 N -0.55 0.30 0.10 5.49 0.00 -1.25 -3.69 107.32 107.72 1orm s GLY 110 Ca -0.06 3.68 0.08 0.00 0.00 0.00 0.00 44.72 48.43 1orm s GLY 110 CO -0.00 3.40 -0.18 0.00 0.00 0.00 0.00 173.10 176.32 1orm s ALA 111 N 2.05 2.67 0.00 3.20 0.00 -1.26 -2.13 121.76 126.29 1orm s ALA 111 Ca 0.01 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1orm s ALA 111 Cb -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1orm s ALA 111 CO -0.16 0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1orm n GLY 112 N 0.97 2.95 0.00 0.00 0.00 0.51 -4.63 105.19 105.00 1orm n GLY 112 Ca -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1orm n GLY 112 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1orm n LEU 113 N 0.00 0.00 -4.73 0.99 -0.00 -1.26 -2.88 117.00 109.12 1orm n LEU 113 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1orm n LEU 113 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1orm n LEU 113 CO 0.00 0.00 0.58 0.00 -0.00 0.00 0.00 177.39 177.97 1orm s GLN 114 N 0.00 4.58 -0.48 1.47 -2.07 -1.26 -4.69 119.66 117.21 1orm s GLN 114 Ca 0.00 1.27 -0.25 0.00 -1.82 0.00 0.00 55.36 54.56 1orm s GLN 114 Cb 0.00 -3.40 0.03 0.00 -1.09 0.00 0.00 33.01 28.55 1orm s GLN 114 CO 0.00 0.16 0.93 -0.59 -1.32 0.00 0.00 175.29 174.47 1orm s PHE 115 N 0.29 2.89 0.00 9.60 -0.71 -1.26 -4.69 117.98 124.10 1orm s PHE 115 Ca 0.45 0.30 0.00 0.00 -1.04 0.00 0.00 56.93 56.63 1orm s PHE 115 Cb -0.21 -4.00 0.00 0.00 -1.21 0.00 0.00 43.02 37.60 1orm s PHE 115 CO 0.26 -1.16 0.00 0.09 -1.34 0.00 0.00 175.22 173.07 1orm n ASN 116 N 7.24 0.00 -0.02 1.98 4.13 -1.25 -4.94 115.26 122.41 1orm n ASN 116 Ca 0.05 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.19 1orm n ASN 116 Cb 0.48 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.63 1orm n ASN 116 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1orm h PRO 117 N 0.00 -0.06 0.00 3.52 0.13 -1.86 -3.48 132.00 130.24 1orm h PRO 117 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1orm h PRO 117 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1orm h PRO 117 CO 0.00 0.57 0.00 -0.12 -0.23 0.00 0.00 178.00 178.22 1orm n MET 118 N -4.78 0.00 0.00 0.86 1.56 -1.26 -5.06 117.12 108.44 1orm n MET 118 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.35 1orm n MET 118 Cb 0.32 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.69 1orm n MET 118 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1orm n GLU 119 N 0.00 0.00 0.00 2.12 1.02 -1.26 -5.02 120.64 117.50 1orm n GLU 119 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1orm n GLU 119 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 1orm n GLU 119 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1orm n ASN 120 N -0.34 0.00 -4.19 1.62 5.15 -1.26 -5.10 115.26 111.13 1orm n ASN 120 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 1orm n ASN 120 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1orm s VAL 121 N 0.00 1.10 0.18 3.44 0.11 -1.26 -5.09 120.40 118.87 1orm s VAL 121 Ca 0.00 -1.57 0.03 0.00 -2.93 0.00 0.00 61.98 57.51 1orm s VAL 121 Cb 0.00 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1orm s VAL 121 CO 0.00 -0.43 0.31 0.00 -3.33 0.00 0.00 175.10 171.65 1orm s ALA 122 N -2.03 3.95 -0.29 1.54 0.00 -1.26 -3.78 121.76 119.89 1orm s ALA 122 Ca 0.04 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1orm s ALA 122 Cb -0.05 -1.76 0.17 0.00 0.00 0.00 0.00 23.12 21.48 1orm s ALA 122 CO 0.02 0.45 1.33 -0.48 0.00 0.00 0.00 175.76 177.07 1orm s LEU 123 N -3.46 -0.16 0.05 0.00 0.05 -1.24 -4.64 118.68 109.28 1orm s LEU 123 Ca 0.34 0.29 -0.20 0.00 0.05 0.00 0.00 54.13 54.61 1orm s LEU 123 Cb -0.10 1.31 -0.06 0.00 -2.05 0.00 0.00 46.19 45.29 1orm s LEU 123 CO 0.29 -0.06 0.59 -1.81 -0.55 0.00 0.00 176.35 174.81 1orm s ASP 124 N -0.03 7.05 -0.44 1.48 1.11 -1.26 -4.31 116.67 120.27 1orm s ASP 124 Ca 0.06 1.25 0.02 0.00 0.18 0.00 0.00 52.55 54.06 1orm s ASP 124 Cb -0.05 -2.37 0.13 0.00 1.07 0.00 0.00 42.92 41.71 1orm s ASP 124 CO -0.12 0.20 0.23 0.12 1.18 0.00 0.00 175.17 176.77 1orm s PHE 125 N -0.73 2.11 0.06 4.23 2.19 -1.14 -4.41 117.98 120.29 1orm s PHE 125 Ca 0.30 -2.46 -0.26 0.00 0.33 0.00 0.00 56.93 54.84 1orm s PHE 125 Cb -0.19 -1.99 0.07 0.00 -1.31 0.00 0.00 43.02 39.60 1orm s PHE 125 CO 0.19 -0.79 0.62 -1.54 1.83 0.00 0.00 175.22 175.53 1orm s SER 126 N 0.39 -0.59 -0.09 6.13 1.04 -1.25 -4.25 113.70 115.08 1orm s SER 126 Ca 0.17 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.94 1orm s SER 126 Cb -0.24 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1orm s SER 126 CO -0.01 -0.79 -0.16 -0.47 0.98 0.00 0.00 173.24 172.79 1orm s TYR 127 N -2.53 1.91 -0.82 5.02 5.04 -1.26 -4.47 117.35 120.23 1orm s TYR 127 Ca -0.05 -0.80 -0.06 0.00 -2.44 0.00 0.00 57.07 53.73 1orm s TYR 127 Cb -0.01 -1.35 0.21 0.00 0.35 0.00 0.00 41.96 41.16 1orm s TYR 127 CO -0.02 -0.38 0.71 -1.21 -1.34 0.00 0.00 175.55 173.31 1orm s GLU 128 N 0.70 3.23 -0.21 4.97 2.02 -1.24 -4.08 118.70 124.08 1orm s GLU 128 Ca -0.13 -2.86 -0.07 0.00 0.02 0.00 0.00 54.97 51.93 1orm s GLU 128 Cb -0.16 -4.05 -0.03 0.00 0.10 0.00 0.00 34.13 29.98 1orm s GLU 128 CO 0.03 -1.24 0.06 -0.65 0.02 0.00 0.00 175.26 173.48 1orm s GLN 129 N -0.61 3.81 0.80 1.61 -0.21 -1.25 -3.98 119.66 119.83 1orm s GLN 129 Ca 0.22 -0.42 -0.06 0.00 0.02 0.00 0.00 55.36 55.12 1orm s GLN 129 Cb -0.12 -3.24 0.15 0.00 1.00 0.00 0.00 33.01 30.79 1orm s GLN 129 CO -0.08 0.07 1.11 -1.12 -2.12 0.00 0.00 175.29 173.14 1orm s SER 130 N 0.92 3.96 0.42 5.90 0.01 -1.26 -4.68 113.70 118.98 1orm s SER 130 Ca 0.03 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1orm s SER 130 Cb -0.14 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1orm s SER 130 CO 0.03 -2.14 0.00 0.54 0.41 0.00 0.00 173.24 172.08 1orm n ARG 131 N -3.16 -0.75 -1.15 12.44 1.74 -1.26 -3.42 116.66 121.11 1orm n ARG 131 Ca 0.14 0.49 -0.22 0.00 -0.77 0.00 0.00 57.85 57.49 1orm n ARG 131 Cb 0.60 -0.91 0.01 0.00 -1.02 0.00 0.00 32.46 31.15 1orm n ARG 131 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1orm n ILE 132 N -1.84 3.06 -0.95 0.55 3.06 -1.26 -4.67 119.36 117.31 1orm n ILE 132 Ca 0.00 -2.28 0.00 0.00 -2.50 0.00 0.00 62.75 57.98 1orm n ILE 132 Cb 0.17 -1.39 0.00 0.00 0.54 0.00 0.00 39.64 38.95 1orm n ILE 132 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1orm n ARG 133 N 0.34 -0.27 0.07 9.51 0.63 -1.22 -4.85 116.66 120.87 1orm n ARG 133 Ca 0.40 0.07 -0.23 0.00 -0.92 0.00 0.00 57.85 57.17 1orm n ARG 133 Cb 0.57 -3.25 -0.15 0.00 0.45 0.00 0.00 32.46 30.08 1orm n ARG 133 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1orm h SER 134 N 0.00 0.61 -4.30 6.15 0.87 -1.83 -3.47 113.55 111.57 1orm h SER 134 Ca 0.00 -0.92 -0.30 0.00 -1.23 0.00 0.00 61.79 59.34 1orm h SER 134 Cb 0.13 -0.20 -0.16 0.00 -0.44 0.00 0.00 62.40 61.74 1orm h SER 134 CO 0.00 1.72 -0.72 -0.69 -0.53 0.00 0.00 176.83 176.61 1orm s VAL 135 N -2.55 0.96 0.11 2.23 1.01 -1.26 -5.05 120.40 115.84 1orm s VAL 135 Ca -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1orm s VAL 135 Cb 0.05 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1orm s VAL 135 CO 0.85 -0.69 0.00 -0.67 0.00 0.00 0.00 175.10 174.59 1orm n ASP 136 N 0.19 -1.72 -2.38 3.32 -0.08 -1.26 -4.05 116.55 110.57 1orm n ASP 136 Ca -0.13 0.24 -0.12 0.00 -1.51 0.00 0.00 54.79 53.27 1orm n ASP 136 Cb 0.59 -0.98 -0.04 0.00 2.34 0.00 0.00 41.12 43.03 1orm n ASP 136 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1orm n VAL 137 N -2.73 0.00 -3.84 5.18 0.31 -1.25 -4.61 118.33 111.39 1orm n VAL 137 Ca -0.01 -1.35 -0.27 0.00 -0.01 0.00 0.00 64.34 62.69 1orm n VAL 137 Cb 0.14 0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 33.67 1orm n VAL 137 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1orm s GLY 138 N -2.32 1.82 -0.07 2.92 0.00 -1.26 -3.92 107.32 104.49 1orm s GLY 138 Ca 0.20 -0.91 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 1orm s GLY 138 CO 0.14 -0.89 0.08 -1.08 0.00 0.00 0.00 173.10 171.35 1orm s THR 139 N -1.76 4.89 -0.71 0.90 -1.32 -1.26 -3.40 115.64 112.99 1orm s THR 139 Ca 0.36 -0.15 -0.18 0.00 -1.21 0.00 0.00 61.69 60.51 1orm s THR 139 Cb -0.11 -3.15 0.13 0.00 -1.51 0.00 0.00 72.50 67.85 1orm s THR 139 CO 0.28 0.51 0.83 0.86 -2.21 0.00 0.00 174.62 174.90 1orm s TRP 140 N -1.05 3.12 0.00 9.09 -0.00 0.15 -4.44 118.94 125.82 1orm s TRP 140 Ca 0.18 -1.20 -0.17 0.00 -0.00 0.00 0.00 56.10 54.91 1orm s TRP 140 Cb -0.12 -4.06 -0.06 0.00 -0.00 0.00 0.00 33.47 29.23 1orm s TRP 140 CO 0.07 -1.32 0.49 -1.50 -0.00 0.00 0.00 176.95 174.70 1orm s ILE 141 N 2.38 4.95 -0.30 5.86 1.10 -1.26 -2.60 121.20 131.33 1orm s ILE 141 Ca 0.18 1.02 -0.15 0.00 -0.51 0.00 0.00 60.65 61.20 1orm s ILE 141 Cb -0.17 -3.81 0.16 0.00 0.15 0.00 0.00 42.46 38.78 1orm s ILE 141 CO 0.01 0.51 0.94 0.00 -2.11 0.00 0.00 174.94 174.28 1orm s ALA 142 N -0.67 -2.53 0.00 1.50 0.00 -1.26 -4.12 121.76 114.69 1orm s ALA 142 Ca 0.27 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.35 1orm s ALA 142 Cb -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1orm s ALA 142 CO 0.15 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1orm n GLY 143 N 4.76 3.68 3.90 0.00 0.00 -1.26 -3.31 105.19 112.96 1orm n GLY 143 Ca -0.12 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 1orm n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 144 N -2.18 5.11 -0.24 1.61 0.11 -1.26 -3.71 120.40 119.84 1orm s VAL 144 Ca 0.00 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.31 1orm s VAL 144 Cb 0.00 -3.59 0.08 0.00 -1.53 0.00 0.00 36.38 31.34 1orm s VAL 144 CO 0.00 -0.04 0.05 -0.83 -3.33 0.00 0.00 175.10 170.96 1orm s GLY 145 N -3.01 0.87 -0.20 6.54 0.00 -1.26 -4.34 107.32 105.92 1orm s GLY 145 Ca 0.33 -1.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 1orm s GLY 145 CO 0.27 1.48 -0.04 -0.47 0.00 0.00 0.00 173.10 174.34 1orm s TYR 146 N 1.75 2.96 -0.11 1.90 5.04 -1.25 -4.76 117.35 122.89 1orm s TYR 146 Ca 0.03 -0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 53.94 1orm s TYR 146 Cb -0.17 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.06 1orm s TYR 146 CO -0.15 -0.37 -0.04 0.50 -1.34 0.00 0.00 175.55 174.15 1orm s ARG 147 N 1.08 3.17 0.00 4.97 3.00 -1.26 -4.10 118.95 125.81 1orm s ARG 147 Ca 0.01 -0.50 0.00 0.00 -1.00 0.00 0.00 55.73 54.24 1orm s ARG 147 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 34.95 32.04 1orm s ARG 147 CO 0.00 0.51 0.00 0.34 0.00 0.00 0.00 175.30 176.15