#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm s THR 2 N 0.00 0.13 -0.29 0.00 -1.32 -1.26 -5.02 115.64 107.88 1orm s THR 2 Ca 0.00 -1.04 -0.03 0.00 -1.21 0.00 0.00 61.69 59.41 1orm s THR 2 Cb 0.00 -0.45 0.17 0.00 -1.51 0.00 0.00 72.50 70.71 1orm s THR 2 CO 0.00 -0.57 0.57 -0.94 -2.21 0.00 0.00 174.62 171.46 1orm s SER 3 N -1.68 -1.05 0.77 8.08 1.04 -1.24 -3.93 113.70 115.69 1orm s SER 3 Ca -0.13 0.90 -0.10 0.00 0.48 0.00 0.00 55.95 57.10 1orm s SER 3 Cb -0.07 2.00 0.08 0.00 0.10 0.00 0.00 66.02 68.12 1orm s SER 3 CO -0.02 -0.26 1.12 0.42 0.98 0.00 0.00 173.24 175.47 1orm s THR 4 N 2.81 2.11 -0.95 2.02 -4.23 -1.26 -3.77 115.64 112.37 1orm s THR 4 Ca 0.14 -0.12 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1orm s THR 4 Cb -0.14 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 70.94 1orm s THR 4 CO -0.20 0.00 0.89 -0.69 -0.54 0.00 0.00 174.62 174.09 1orm s VAL 5 N -3.45 5.38 -0.14 2.29 1.01 -1.22 -4.65 120.40 119.62 1orm s VAL 5 Ca 0.62 -3.20 -0.18 0.00 0.00 0.00 0.00 61.98 59.21 1orm s VAL 5 Cb -0.10 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1orm s VAL 5 CO 0.47 -1.10 0.50 0.28 0.00 0.00 0.00 175.10 175.26 1orm s THR 6 N -0.78 5.16 -0.23 3.92 -1.32 -1.26 -4.66 115.64 116.47 1orm s THR 6 Ca 0.25 0.97 -0.03 0.00 -1.21 0.00 0.00 61.69 61.67 1orm s THR 6 Cb -0.10 -3.83 0.07 0.00 -1.51 0.00 0.00 72.50 67.13 1orm s THR 6 CO -0.09 0.27 0.07 -0.83 -2.21 0.00 0.00 174.62 171.84 1orm s GLY 7 N 0.81 0.66 0.31 6.08 0.00 -1.26 -4.54 107.32 109.38 1orm s GLY 7 Ca 0.26 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.15 1orm s GLY 7 CO 0.10 1.63 0.12 -0.32 0.00 0.00 0.00 173.10 174.64 1orm s GLY 8 N 1.92 2.06 -0.01 0.20 0.00 -1.26 -4.81 107.32 105.41 1orm s GLY 8 Ca 0.03 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 43.02 1orm s GLY 8 CO -0.16 -1.66 -0.08 -0.47 0.00 0.00 0.00 173.10 170.73 1orm s TYR 9 N -3.54 0.76 0.12 1.90 6.14 -1.26 -4.42 117.35 117.04 1orm s TYR 9 Ca 0.35 -0.16 0.10 0.00 0.64 0.00 0.00 57.07 57.99 1orm s TYR 9 Cb 0.06 -0.53 -0.04 0.00 0.42 0.00 0.00 41.96 41.88 1orm s TYR 9 CO 0.16 -0.05 -0.24 0.00 0.64 0.00 0.00 175.55 176.06 1orm s ALA 10 N 0.03 2.09 -0.36 3.97 0.00 -1.26 -4.49 121.76 121.75 1orm s ALA 10 Ca -0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 51.96 50.48 1orm s ALA 10 Cb -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1orm s ALA 10 CO -0.00 0.45 0.21 -1.14 0.00 0.00 0.00 175.76 175.28 1orm s GLN 11 N -2.00 3.05 -0.41 0.00 0.74 -1.26 -3.98 119.66 115.80 1orm s GLN 11 Ca 0.10 -0.93 -0.25 0.00 0.05 0.00 0.00 55.36 54.33 1orm s GLN 11 Cb -0.10 -3.75 0.02 0.00 1.10 0.00 0.00 33.01 30.28 1orm s GLN 11 CO 0.05 -0.61 0.92 0.45 -0.55 0.00 0.00 175.29 175.55 1orm s SER 12 N 1.61 6.59 0.12 6.67 0.15 -1.26 -4.26 113.70 123.32 1orm s SER 12 Ca 0.04 0.37 0.05 0.00 0.70 0.00 0.00 55.95 57.11 1orm s SER 12 Cb -0.18 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1orm s SER 12 CO 0.08 -0.93 0.05 -1.81 1.20 0.00 0.00 173.24 171.83 1orm s ASP 13 N 2.04 5.24 0.25 5.45 1.01 -1.26 -4.31 116.67 125.10 1orm s ASP 13 Ca 0.37 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.51 1orm s ASP 13 Cb -0.11 -1.30 -0.01 0.00 1.01 0.00 0.00 42.92 42.50 1orm s ASP 13 CO 0.22 0.13 0.12 0.00 0.21 0.00 0.00 175.17 175.85 1orm n ALA 14 N 0.19 0.40 -0.17 5.23 0.00 -1.06 -3.46 120.51 121.65 1orm n ALA 14 Ca -0.09 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1orm n ALA 14 Cb 0.53 0.95 0.00 0.00 0.00 0.00 0.00 19.45 20.93 1orm n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1orm n GLN 15 N -0.55 0.00 -3.39 0.00 -0.06 -1.26 -3.54 117.38 108.57 1orm n GLN 15 Ca -0.01 0.85 -0.27 0.00 -2.00 0.00 0.00 57.00 55.57 1orm n GLN 15 Cb 0.40 -1.41 -0.08 0.00 -4.06 0.00 0.00 30.24 25.09 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1orm n GLY 16 N -0.99 4.62 4.30 1.69 0.00 -1.26 -4.89 105.19 108.66 1orm n GLY 16 Ca 0.00 -2.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.06 1orm n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1orm n GLN 17 N 0.89 -0.91 -2.09 1.61 7.27 -1.23 -4.80 117.38 118.11 1orm n GLN 17 Ca 0.29 0.09 -0.39 0.00 0.07 0.00 0.00 57.00 57.06 1orm n GLN 17 Cb 0.42 -3.64 0.03 0.00 2.41 0.00 0.00 30.24 29.47 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1orm n MET 18 N -4.43 3.25 0.00 3.69 1.56 -1.26 -4.90 117.12 115.03 1orm n MET 18 Ca -0.26 -3.80 0.00 0.00 -0.27 0.00 0.00 57.70 53.37 1orm n MET 18 Cb 0.65 -2.30 0.00 0.00 2.15 0.00 0.00 33.22 33.72 1orm n MET 18 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1orm n ASN 19 N -0.45 0.00 -4.90 6.12 5.15 -1.26 -4.91 115.26 115.01 1orm n ASN 19 Ca 0.51 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 54.16 1orm n ASN 19 Cb 0.27 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.47 1orm n ASN 19 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1orm s LYS 20 N -1.62 3.48 -0.10 1.20 2.20 -1.26 -4.84 119.74 118.80 1orm s LYS 20 Ca 0.00 -0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.06 1orm s LYS 20 Cb 0.00 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1orm s LYS 20 CO 0.00 0.66 1.56 0.00 -0.36 0.00 0.00 175.35 177.21 1orm s MET 21 N -1.92 4.15 -0.32 4.03 0.23 -1.26 -4.53 119.30 119.66 1orm s MET 21 Ca 0.28 2.00 0.16 0.00 -1.03 0.00 0.00 55.69 57.11 1orm s MET 21 Cb -0.13 -3.94 0.45 0.00 -1.53 0.00 0.00 34.83 29.68 1orm s MET 21 CO 0.18 -0.87 1.23 0.41 -2.03 0.00 0.00 175.02 173.95 1orm n GLY 22 N 4.07 1.70 3.89 3.16 0.00 -1.26 -4.92 105.19 111.83 1orm n GLY 22 Ca 0.17 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1orm n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1orm s GLY 23 N -2.43 1.62 -0.16 -0.02 0.00 -1.26 1.00 107.32 106.08 1orm s GLY 23 Ca 0.21 -0.32 -0.28 0.00 0.00 0.00 0.00 44.72 44.33 1orm s GLY 23 CO -0.05 -0.02 0.70 -1.36 0.00 0.00 0.00 173.10 172.37 1orm s PHE 24 N -3.19 -0.72 -0.05 1.90 0.08 -1.26 -4.56 117.98 110.18 1orm s PHE 24 Ca 0.56 1.53 0.01 0.00 0.12 0.00 0.00 56.93 59.14 1orm s PHE 24 Cb -0.11 0.34 0.02 0.00 -0.57 0.00 0.00 43.02 42.70 1orm s PHE 24 CO 0.51 -0.50 -0.06 1.21 -0.10 0.00 0.00 175.22 176.28 1orm s ASN 25 N -0.41 1.15 0.18 1.36 2.47 -1.26 -4.60 114.94 113.82 1orm s ASN 25 Ca -0.06 -0.17 -0.09 0.00 0.42 0.00 0.00 52.86 52.96 1orm s ASN 25 Cb -0.02 -0.54 -0.01 0.00 -1.45 0.00 0.00 41.25 39.22 1orm s ASN 25 CO 0.06 -0.03 0.30 -1.48 -3.72 0.00 0.00 177.10 172.23 1orm s LEU 26 N 0.84 0.87 -0.06 3.21 2.34 -1.26 -4.52 118.68 120.10 1orm s LEU 26 Ca -0.12 -0.91 -0.05 0.00 0.06 0.00 0.00 54.13 53.11 1orm s LEU 26 Cb -0.15 1.23 0.01 0.00 -0.56 0.00 0.00 46.19 46.72 1orm s LEU 26 CO 0.01 -0.93 0.09 2.29 -1.06 0.00 0.00 176.35 176.75 1orm n LYS 27 N -0.24 -0.40 -2.52 1.48 2.85 -1.26 -4.30 118.16 113.77 1orm n LYS 27 Ca -0.06 0.63 -0.08 0.00 -1.05 0.00 0.00 58.31 57.75 1orm n LYS 27 Cb 0.63 -0.83 0.04 0.00 -0.65 0.00 0.00 35.03 34.22 1orm n LYS 27 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1orm n TYR 28 N 0.85 1.71 -3.10 5.58 9.36 -1.26 0.16 117.16 130.45 1orm n TYR 28 Ca -0.01 -2.12 0.05 0.00 3.32 0.00 0.00 57.90 59.14 1orm n TYR 28 Cb 0.38 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.83 1orm n TYR 28 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1orm s ARG 29 N -3.65 0.10 -0.22 2.98 6.06 -1.26 -4.79 118.95 118.16 1orm s ARG 29 Ca 0.35 0.07 -0.08 0.00 -2.50 0.00 0.00 55.73 53.58 1orm s ARG 29 Cb 0.35 0.04 0.10 0.00 0.06 0.00 0.00 34.95 35.50 1orm s ARG 29 CO -0.02 -0.17 0.48 -0.47 -2.50 0.00 0.00 175.30 172.62 1orm s TYR 30 N 2.85 -0.94 0.01 5.12 5.04 -1.25 -3.72 117.35 124.46 1orm s TYR 30 Ca 0.28 1.74 -0.29 0.00 -2.44 0.00 0.00 57.07 56.36 1orm s TYR 30 Cb -0.00 0.44 0.10 0.00 0.35 0.00 0.00 41.96 42.85 1orm s TYR 30 CO -0.22 -0.53 1.12 -2.00 -1.34 0.00 0.00 175.55 172.58 1orm s GLU 31 N 2.65 0.68 0.75 4.97 2.56 -1.26 -4.31 118.70 124.74 1orm s GLU 31 Ca -0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 54.97 54.48 1orm s GLU 31 Cb -0.12 0.25 0.17 0.00 2.00 0.00 0.00 34.13 36.44 1orm s GLU 31 CO -0.14 -0.31 1.02 0.39 -0.56 0.00 0.00 175.26 175.65 1orm n GLU 32 N -0.38 -0.90 -2.98 4.30 1.02 -1.26 -4.44 120.64 116.01 1orm n GLU 32 Ca -0.06 -1.69 -0.29 0.00 -0.02 0.00 0.00 57.16 55.10 1orm n GLU 32 Cb 0.61 -1.01 -0.04 0.00 -0.02 0.00 0.00 31.44 30.98 1orm n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1orm n ASP 33 N -3.59 4.81 0.00 1.62 -0.08 -1.26 -4.66 116.55 113.39 1orm n ASP 33 Ca 0.13 -3.65 0.00 0.00 -1.51 0.00 0.00 54.79 49.76 1orm n ASP 33 Cb 0.46 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.24 1orm n ASP 33 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1orm n ASN 34 N -0.02 0.00 -4.59 1.67 2.85 -1.26 -5.11 115.26 108.81 1orm n ASN 34 Ca 0.33 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.40 1orm n ASN 34 Cb 0.37 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.30 1orm n ASN 34 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1orm s SER 35 N 0.00 6.18 0.40 1.20 0.15 -1.26 -5.06 113.70 115.31 1orm s SER 35 Ca 0.00 0.09 -0.24 0.00 0.70 0.00 0.00 55.95 56.50 1orm s SER 35 Cb 0.00 -2.19 -0.09 0.00 -1.71 0.00 0.00 66.02 62.03 1orm s SER 35 CO 0.00 -0.20 1.05 -2.16 1.20 0.00 0.00 173.24 173.14 1orm s PRO 36 N 1.99 4.14 0.00 5.44 0.04 -1.26 -4.29 135.00 141.06 1orm s PRO 36 Ca 0.12 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1orm s PRO 36 Cb -0.16 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1orm s PRO 36 CO 0.11 -0.16 0.00 -0.11 0.04 0.00 0.00 177.00 176.87 1orm n LEU 37 N -0.12 0.00 -4.11 -3.56 0.00 -1.26 -5.08 117.00 102.87 1orm n LEU 37 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.73 1orm n LEU 37 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.77 1orm n LEU 37 CO 0.45 0.00 -0.42 -0.83 0.00 0.00 0.00 177.39 176.59 1orm s GLY 38 N 0.00 1.69 -0.46 -3.96 0.00 -1.25 -4.82 107.32 98.52 1orm s GLY 38 Ca 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 44.72 43.03 1orm s GLY 38 CO 0.00 0.63 0.57 -0.62 0.00 0.00 0.00 173.10 173.69 1orm n VAL 39 N 4.52 -0.56 -3.61 1.40 0.31 -1.26 -3.92 118.33 115.20 1orm n VAL 39 Ca -0.14 -2.37 -0.02 0.00 -0.01 0.00 0.00 64.34 61.80 1orm n VAL 39 Cb 0.43 -0.33 -0.01 0.00 -0.91 0.00 0.00 33.84 33.02 1orm n VAL 39 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1orm s ILE 40 N 0.28 0.00 -1.01 2.52 1.10 -1.26 -4.66 121.20 118.17 1orm s ILE 40 Ca 0.32 -0.16 -0.06 0.00 -0.51 0.00 0.00 60.65 60.24 1orm s ILE 40 Cb 0.06 -1.55 0.01 0.00 0.15 0.00 0.00 42.46 41.13 1orm s ILE 40 CO -0.14 0.00 0.82 0.61 -2.11 0.00 0.00 174.94 174.12 1orm n GLY 41 N -0.32 -0.15 2.15 1.50 0.00 0.41 -4.59 105.19 104.19 1orm n GLY 41 Ca -0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1orm n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1orm n SER 42 N -1.75 7.17 -3.77 1.61 7.64 -1.26 -4.67 113.62 118.59 1orm n SER 42 Ca -0.00 -3.50 -0.29 0.00 1.01 0.00 0.00 58.87 56.09 1orm n SER 42 Cb 0.55 -1.01 -0.16 0.00 -1.01 0.00 0.00 64.21 62.59 1orm n SER 42 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1orm s PHE 43 N -3.02 1.66 -0.36 1.43 0.40 -1.26 -4.56 117.98 112.27 1orm s PHE 43 Ca 0.51 -1.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.35 1orm s PHE 43 Cb 0.40 -1.52 0.15 0.00 0.51 0.00 0.00 43.02 42.56 1orm s PHE 43 CO -0.01 -0.79 0.35 -0.08 0.70 0.00 0.00 175.22 175.39 1orm s THR 44 N 1.64 -0.27 -0.03 0.64 -1.32 -1.26 -4.64 115.64 110.39 1orm s THR 44 Ca 0.04 -1.07 -0.08 0.00 -1.21 0.00 0.00 61.69 59.38 1orm s THR 44 Cb -0.17 -0.76 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1orm s THR 44 CO -0.17 -0.64 0.18 -0.72 -2.21 0.00 0.00 174.62 171.06 1orm s TYR 45 N 1.43 -0.08 0.10 9.09 1.13 -1.21 -4.23 117.35 123.58 1orm s TYR 45 Ca 0.17 0.17 -0.26 0.00 -1.41 0.00 0.00 57.07 55.74 1orm s TYR 45 Cb -0.16 0.01 -0.06 0.00 -1.10 0.00 0.00 41.96 40.65 1orm s TYR 45 CO -0.05 -0.22 0.80 0.95 -2.51 0.00 0.00 175.55 174.52 1orm s THR 46 N -0.78 4.57 -0.78 -3.49 -4.23 -1.26 -4.21 115.64 105.46 1orm s THR 46 Ca -0.09 1.72 -0.00 0.00 -1.18 0.00 0.00 61.69 62.14 1orm s THR 46 Cb -0.05 -4.15 0.19 0.00 1.34 0.00 0.00 72.50 69.83 1orm s THR 46 CO 0.01 0.41 0.63 -0.70 -0.54 0.00 0.00 174.62 174.44 1orm s GLU 47 N -0.43 2.91 0.00 3.99 -6.30 0.28 -4.77 118.70 114.38 1orm s GLU 47 Ca 0.39 -3.12 0.00 0.00 -2.50 0.00 0.00 54.97 49.74 1orm s GLU 47 Cb -0.22 -3.77 0.00 0.00 0.00 0.00 0.00 34.13 30.14 1orm s GLU 47 CO 0.25 -1.24 0.00 1.63 0.02 0.00 0.00 175.26 175.92 1orm n LYS 48 N 2.52 0.00 0.00 4.30 4.76 -1.26 -4.22 118.16 124.25 1orm n LYS 48 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1orm n LYS 48 Cb 0.37 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.56 1orm n LYS 48 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1orm n SER 49 N 0.00 0.00 0.00 4.39 3.41 -1.26 -4.23 113.62 115.92 1orm n SER 49 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1orm n SER 49 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1orm n SER 49 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1orm n ARG 50 N 0.00 0.00 -0.33 4.33 0.63 -1.26 -3.19 116.66 116.85 1orm n ARG 50 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 1orm n ARG 50 Cb 0.00 0.00 0.27 0.00 0.45 0.00 0.00 32.46 33.18 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 0.00 -0.40 -2.80 5.15 -2.24 -1.17 -4.81 114.28 108.01 1orm n THR 51 Ca 0.00 2.08 -0.10 0.00 -2.27 0.00 0.00 64.05 63.75 1orm n THR 51 Cb 0.00 -3.03 0.05 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 -3.20 -1.49 -2.33 6.98 0.00 -1.26 -4.95 120.51 114.26 1orm n ALA 52 Ca 0.22 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 1orm n ALA 52 Cb 0.72 -2.63 0.01 0.00 0.00 0.00 0.00 19.45 17.56 1orm n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm n SER 53 N -2.47 -0.83 -1.45 0.00 2.88 -1.26 -4.95 113.62 105.54 1orm n SER 53 Ca -0.13 -2.08 -0.18 0.00 -1.33 0.00 0.00 58.87 55.15 1orm n SER 53 Cb 0.60 0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 64.32 1orm n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1orm n SER 54 N -0.53 -5.21 -0.07 -3.46 7.64 -1.26 -4.86 113.62 105.86 1orm n SER 54 Ca -0.19 0.42 -0.05 0.00 1.01 0.00 0.00 58.87 60.06 1orm n SER 54 Cb 0.81 -4.32 -0.02 0.00 -1.01 0.00 0.00 64.21 59.67 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1orm n GLY 55 N -0.74 -0.89 0.00 0.23 0.00 -1.26 -5.11 105.19 97.42 1orm n GLY 55 Ca -0.19 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1orm n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1orm n ASP 56 N -4.43 0.00 -4.42 1.61 5.75 -1.26 -5.02 116.55 108.77 1orm n ASP 56 Ca -0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.34 1orm n ASP 56 Cb 0.27 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.23 1orm n ASP 56 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1orm s TYR 57 N -2.00 3.09 0.52 2.11 1.51 -1.26 -3.06 117.35 118.26 1orm s TYR 57 Ca 0.00 -0.57 -0.17 0.00 -1.01 0.00 0.00 57.07 55.33 1orm s TYR 57 Cb 0.00 -2.24 -0.07 0.00 -0.11 0.00 0.00 41.96 39.54 1orm s TYR 57 CO 0.00 -0.42 1.00 -0.80 -1.11 0.00 0.00 175.55 174.22 1orm s ASN 58 N 1.59 6.52 -0.41 2.29 0.01 -1.19 -2.25 114.94 121.49 1orm s ASN 58 Ca 0.06 1.61 0.05 0.00 -0.71 0.00 0.00 52.86 53.87 1orm s ASN 58 Cb -0.15 -2.51 0.32 0.00 0.41 0.00 0.00 41.25 39.31 1orm s ASN 58 CO 0.03 -0.66 1.20 0.29 -1.51 0.00 0.00 177.10 176.45 1orm n LYS 59 N -1.62 0.70 -0.11 -0.60 5.02 -1.26 -4.30 118.16 115.99 1orm n LYS 59 Ca 0.07 -1.49 -0.10 0.00 -2.02 0.00 0.00 58.31 54.77 1orm n LYS 59 Cb 0.54 -0.75 -0.07 0.00 -0.02 0.00 0.00 35.03 34.73 1orm n LYS 59 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1orm h ASN 60 N 2.79 -1.35 -2.41 4.39 2.35 -1.95 -3.39 115.58 116.02 1orm h ASN 60 Ca -0.18 0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1orm h ASN 60 Cb 1.14 0.56 0.01 0.00 0.05 0.00 0.00 38.32 40.07 1orm h ASN 60 CO 0.09 -0.28 0.03 1.67 -1.65 0.00 0.00 177.43 177.28 1orm n GLN 61 N -4.61 0.05 -3.01 0.81 -0.06 -1.26 -4.67 117.38 104.63 1orm n GLN 61 Ca -0.02 -0.16 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 1orm n GLN 61 Cb 0.24 -0.09 0.00 0.00 -4.06 0.00 0.00 30.24 26.33 1orm n GLN 61 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1orm n TYR 62 N -1.99 0.00 -5.08 3.69 9.36 -1.26 -4.79 117.16 117.08 1orm n TYR 62 Ca 0.01 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.92 1orm n TYR 62 Cb 0.04 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.61 1orm n TYR 62 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1orm s TYR 63 N -3.00 2.49 0.00 2.98 -0.85 -1.26 -3.32 117.35 114.39 1orm s TYR 63 Ca 0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 1orm s TYR 63 Cb 0.00 -1.54 0.00 0.00 0.38 0.00 0.00 41.96 40.80 1orm s TYR 63 CO 0.00 0.08 0.00 0.41 -1.52 0.00 0.00 175.55 174.52 1orm n GLY 64 N 2.30 3.66 3.34 5.49 0.00 -1.26 -4.32 105.19 114.39 1orm n GLY 64 Ca -0.17 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 2.89 -0.44 -0.13 -0.61 1.10 -1.26 -4.86 121.20 117.89 1orm s ILE 65 Ca 0.00 0.11 -0.03 0.00 -0.51 0.00 0.00 60.65 60.23 1orm s ILE 65 Cb 0.00 -0.71 -0.03 0.00 0.15 0.00 0.00 42.46 41.87 1orm s ILE 65 CO 0.00 0.05 -0.03 -0.89 -2.11 0.00 0.00 174.94 171.96 1orm s THR 66 N 2.20 3.97 -0.40 4.00 2.01 -1.26 -4.18 115.64 121.97 1orm s THR 66 Ca -0.05 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 1orm s THR 66 Cb -0.10 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.71 1orm s THR 66 CO -0.14 0.53 0.40 0.00 -0.69 0.00 0.00 174.62 174.72 1orm s ALA 67 N -0.09 3.45 -0.30 7.40 0.00 -1.21 -4.59 121.76 126.42 1orm s ALA 67 Ca 0.02 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.20 1orm s ALA 67 Cb -0.13 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 1orm s ALA 67 CO 0.02 -1.47 1.43 0.20 0.00 0.00 0.00 175.76 175.94 1orm s GLY 68 N 1.77 1.25 -1.18 0.00 0.00 -1.25 -4.56 107.32 103.36 1orm s GLY 68 Ca 0.11 0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.87 1orm s GLY 68 CO 0.13 2.76 2.35 -1.55 0.00 0.00 0.00 173.10 176.79 1orm n PRO 69 N 7.62 2.58 -2.76 2.90 -0.04 -1.26 -3.82 135.00 140.21 1orm n PRO 69 Ca 0.16 -1.91 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 1orm n PRO 69 Cb 0.47 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 1orm n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1orm s ALA 70 N 3.28 3.02 -0.34 0.55 0.00 -1.26 -4.51 121.76 122.50 1orm s ALA 70 Ca 0.52 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1orm s ALA 70 Cb 0.14 -4.06 0.14 0.00 0.00 0.00 0.00 23.12 19.34 1orm s ALA 70 CO -0.02 -3.02 0.31 -0.47 0.00 0.00 0.00 175.76 172.55 1orm s TYR 71 N 4.36 -0.15 0.64 0.00 6.14 -1.26 -4.21 117.35 122.87 1orm s TYR 71 Ca 0.29 -0.75 -0.17 0.00 0.64 0.00 0.00 57.07 57.09 1orm s TYR 71 Cb -0.11 -0.54 -0.01 0.00 0.42 0.00 0.00 41.96 41.72 1orm s TYR 71 CO 0.06 -0.92 1.17 -0.98 0.64 0.00 0.00 175.55 175.52 1orm s ARG 72 N 1.72 2.79 -0.02 4.97 1.70 -1.26 -4.24 118.95 124.60 1orm s ARG 72 Ca 0.14 1.65 -0.07 0.00 -0.47 0.00 0.00 55.73 56.99 1orm s ARG 72 Cb -0.16 -1.92 -0.02 0.00 -0.57 0.00 0.00 34.95 32.27 1orm s ARG 72 CO -0.14 -1.31 -0.13 -0.89 -1.08 0.00 0.00 175.30 171.75 1orm n ILE 73 N -2.04 1.07 -0.06 4.99 5.41 -1.26 -4.85 119.36 122.61 1orm n ILE 73 Ca 0.12 0.27 -0.11 0.00 1.00 0.00 0.00 62.75 64.04 1orm n ILE 73 Cb 0.51 -1.79 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 1orm n ILE 73 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1orm n ASN 74 N -3.63 1.62 0.03 4.38 3.02 -1.26 -4.96 115.26 114.46 1orm n ASN 74 Ca -0.05 0.27 -0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1orm n ASN 74 Cb 0.19 -0.61 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1orm n ASN 74 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1orm n ASP 75 N -4.10 0.80 -2.67 6.41 5.68 -1.26 -5.02 116.55 116.38 1orm n ASP 75 Ca -0.18 0.10 -0.05 0.00 -0.50 0.00 0.00 54.79 54.16 1orm n ASP 75 Cb 0.49 -0.24 0.08 0.00 -1.14 0.00 0.00 41.12 40.30 1orm n ASP 75 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1orm n TRP 76 N -3.36 -0.80 -3.20 2.11 2.14 -1.26 -4.89 117.44 108.17 1orm n TRP 76 Ca -0.00 -0.81 -0.38 0.00 2.07 0.00 0.00 57.50 58.38 1orm n TRP 76 Cb 0.16 1.15 -0.02 0.00 -0.81 0.00 0.00 31.31 31.78 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1orm n ALA 77 N 1.44 4.69 -2.39 -1.67 0.00 -1.26 -4.92 120.51 116.39 1orm n ALA 77 Ca 0.02 -4.77 -0.37 0.00 0.00 0.00 0.00 53.44 48.31 1orm n ALA 77 Cb 0.70 -1.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 1orm n ALA 77 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1orm s SER 78 N -1.71 6.04 -0.21 0.00 1.04 -1.26 -4.43 113.70 113.17 1orm s SER 78 Ca 0.33 -1.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 1orm s SER 78 Cb 0.06 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.69 1orm s SER 78 CO 0.04 -1.92 0.08 0.27 0.98 0.00 0.00 173.24 172.69 1orm s ILE 79 N 6.66 0.19 0.25 -1.02 -4.36 -1.26 -4.63 121.20 117.04 1orm s ILE 79 Ca 0.53 -0.50 -0.21 0.00 -0.26 0.00 0.00 60.65 60.21 1orm s ILE 79 Cb -0.03 -0.89 0.05 0.00 1.25 0.00 0.00 42.46 42.85 1orm s ILE 79 CO -0.05 -0.37 0.87 -0.31 0.24 0.00 0.00 174.94 175.32 1orm s TYR 80 N 2.00 -0.03 1.28 1.37 2.02 -1.26 -5.03 117.35 117.69 1orm s TYR 80 Ca 0.03 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 1orm s TYR 80 Cb -0.16 0.72 0.29 0.00 -0.40 0.00 0.00 41.96 42.41 1orm s TYR 80 CO -0.15 -1.15 0.67 0.41 -1.57 0.00 0.00 175.55 173.76 1orm n GLY 81 N -0.53 -3.14 3.04 0.71 0.00 -1.26 -4.38 105.19 99.62 1orm n GLY 81 Ca -0.06 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1orm n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1orm s VAL 82 N -2.15 0.07 0.02 1.61 1.01 -1.26 -4.72 120.40 114.98 1orm s VAL 82 Ca 0.58 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1orm s VAL 82 Cb -0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1orm s VAL 82 CO 0.52 -0.33 -0.09 0.54 0.00 0.00 0.00 175.10 175.73 1orm s VAL 83 N -1.09 0.73 -0.30 2.92 0.11 -1.23 -4.36 120.40 117.18 1orm s VAL 83 Ca -0.12 -0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 58.03 1orm s VAL 83 Cb -0.07 -0.68 0.18 0.00 -1.53 0.00 0.00 36.38 34.28 1orm s VAL 83 CO 0.00 -0.04 1.10 -0.83 -3.33 0.00 0.00 175.10 172.00 1orm s GLY 84 N -0.87 0.08 -0.50 6.54 0.00 -1.26 -3.34 107.32 107.97 1orm s GLY 84 Ca -0.01 3.34 -0.07 0.00 0.00 0.00 0.00 44.72 47.98 1orm s GLY 84 CO 0.00 3.11 0.34 0.14 0.00 0.00 0.00 173.10 176.69 1orm s VAL 85 N 1.96 3.96 0.80 1.40 1.01 -1.26 -2.52 120.40 125.75 1orm s VAL 85 Ca -0.04 -2.08 -0.11 0.00 0.00 0.00 0.00 61.98 59.75 1orm s VAL 85 Cb -0.04 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.80 1orm s VAL 85 CO -0.16 -0.78 1.10 -0.83 0.00 0.00 0.00 175.10 174.43 1orm s GLY 86 N 2.12 1.62 0.59 4.51 0.00 -0.89 -4.42 107.32 110.86 1orm s GLY 86 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.56 1orm s GLY 86 CO -0.03 0.21 0.87 -0.47 0.00 0.00 0.00 173.10 173.69 1orm s TYR 87 N -3.16 3.07 -0.48 1.90 5.04 -1.26 -4.21 117.35 118.25 1orm s TYR 87 Ca 0.61 0.39 0.06 0.00 -2.44 0.00 0.00 57.07 55.69 1orm s TYR 87 Cb -0.14 -2.81 0.23 0.00 0.35 0.00 0.00 41.96 39.59 1orm s TYR 87 CO 0.54 -0.93 0.79 0.41 -1.34 0.00 0.00 175.55 175.02 1orm n GLY 88 N -2.55 0.47 2.55 8.97 0.00 -1.26 -4.35 105.19 109.02 1orm n GLY 88 Ca 0.06 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 1orm n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1orm n LYS 89 N 1.83 0.84 -3.48 1.61 4.81 -1.26 -4.41 118.16 118.09 1orm n LYS 89 Ca 0.13 -3.66 -0.23 0.00 -0.87 0.00 0.00 58.31 53.68 1orm n LYS 89 Cb 0.60 -1.87 0.03 0.00 0.02 0.00 0.00 35.03 33.81 1orm n LYS 89 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1orm s PHE 90 N -0.60 1.51 0.00 5.64 -0.12 -1.26 -4.66 117.98 118.49 1orm s PHE 90 Ca 0.31 -0.79 0.00 0.00 -0.05 0.00 0.00 56.93 56.40 1orm s PHE 90 Cb 0.02 -2.05 0.00 0.00 -0.63 0.00 0.00 43.02 40.36 1orm s PHE 90 CO -0.18 -0.80 0.00 1.04 -0.05 0.00 0.00 175.22 175.23 1orm n GLN 91 N -2.00 0.00 -1.55 1.99 1.13 -0.95 -4.05 117.38 111.95 1orm n GLN 91 Ca 0.07 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.99 1orm n GLN 91 Cb 0.63 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.88 1orm n GLN 91 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1orm n THR 92 N 0.00 0.00 0.03 5.09 5.66 -1.26 -4.06 114.28 119.73 1orm n THR 92 Ca 0.00 -0.22 -0.22 0.00 -3.05 0.00 0.00 64.05 60.56 1orm n THR 92 Cb 0.00 -1.86 -0.14 0.00 -1.55 0.00 0.00 70.33 66.77 1orm n THR 92 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1orm h THR 93 N 7.10 0.83 0.00 1.09 2.02 -1.87 -3.47 112.91 118.60 1orm h THR 93 Ca 0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1orm h THR 93 Cb 1.00 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1orm h THR 93 CO 1.02 0.83 0.00 -0.62 0.37 0.00 0.00 175.52 177.11 1orm n GLU 94 N -3.65 0.00 -3.49 6.66 1.02 -1.26 -5.03 120.64 114.89 1orm n GLU 94 Ca -0.28 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.65 1orm n GLU 94 Cb 1.02 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.42 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1orm s TYR 95 N 0.00 2.61 -0.54 -0.32 1.51 -1.26 -4.99 117.35 114.37 1orm s TYR 95 Ca 0.00 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 1orm s TYR 95 Cb 0.00 -2.19 -0.14 0.00 -0.11 0.00 0.00 41.96 39.52 1orm s TYR 95 CO 0.00 -0.22 2.68 -0.35 -1.11 0.00 0.00 175.55 176.56 1orm n PRO 96 N -1.62 2.06 0.03 -1.71 -0.04 -1.26 -3.05 135.00 129.41 1orm n PRO 96 Ca 0.04 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1orm n PRO 96 Cb 0.62 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1orm n PRO 96 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1orm n THR 97 N 3.20 0.00 -1.02 0.52 -1.04 -1.26 -5.16 114.28 109.52 1orm n THR 97 Ca 0.44 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.49 1orm n THR 97 Cb 0.46 -0.06 -0.01 0.00 -1.82 0.00 0.00 70.33 68.90 1orm n THR 97 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1orm n TYR 98 N -2.62 -2.10 -3.13 -1.42 4.01 -1.17 -4.87 117.16 105.86 1orm n TYR 98 Ca 0.00 0.39 -0.07 0.00 -0.16 0.00 0.00 57.90 58.06 1orm n TYR 98 Cb 0.00 -0.68 0.01 0.00 -0.31 0.00 0.00 39.34 38.35 1orm n TYR 98 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1orm n LYS 99 N -1.40 -0.53 0.10 -0.72 2.85 -1.26 -4.87 118.16 112.33 1orm n LYS 99 Ca 0.00 0.84 -0.12 0.00 -1.05 0.00 0.00 58.31 57.98 1orm n LYS 99 Cb 0.14 -1.10 -0.08 0.00 -0.65 0.00 0.00 35.03 33.34 1orm n LYS 99 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1orm h ASN 100 N 3.21 -0.25 -0.15 -5.58 -1.24 -1.90 -3.46 115.58 106.22 1orm h ASN 100 Ca -0.10 -0.27 0.14 0.00 0.71 0.00 0.00 56.30 56.78 1orm h ASN 100 Cb 1.03 0.06 -0.17 0.00 0.73 0.00 0.00 38.32 39.97 1orm h ASN 100 CO 0.04 0.20 -0.08 -0.62 -1.29 0.00 0.00 177.43 175.68 1orm s ASP 101 N -5.29 -0.22 0.71 1.15 -1.08 -1.26 -5.07 116.67 105.59 1orm s ASP 101 Ca -0.14 -0.12 -0.16 0.00 -0.52 0.00 0.00 52.55 51.61 1orm s ASP 101 Cb 0.01 0.29 -0.01 0.00 -1.46 0.00 0.00 42.92 41.75 1orm s ASP 101 CO 0.53 -0.02 0.88 1.07 0.52 0.00 0.00 175.17 178.15 1orm n THR 102 N 3.59 2.72 0.17 1.71 5.66 -1.26 -4.88 114.28 121.98 1orm n THR 102 Ca 0.05 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1orm n THR 102 Cb 0.64 -1.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 1orm n THR 102 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1orm n SER 103 N -1.32 -2.98 -2.88 1.09 2.88 -1.26 -5.12 113.62 104.04 1orm n SER 103 Ca 0.13 0.65 -0.01 0.00 -1.33 0.00 0.00 58.87 58.31 1orm n SER 103 Cb 0.49 2.91 -0.01 0.00 -0.75 0.00 0.00 64.21 66.86 1orm n SER 103 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1orm n ASP 104 N -3.17 -6.51 -2.27 -3.46 9.92 -1.26 -4.99 116.55 104.81 1orm n ASP 104 Ca 0.00 1.08 -0.01 0.00 -0.53 0.00 0.00 54.79 55.33 1orm n ASP 104 Cb 0.00 -3.89 0.09 0.00 -0.64 0.00 0.00 41.12 36.68 1orm n ASP 104 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1orm n TYR 105 N 1.18 -1.40 -3.11 1.24 4.19 -1.26 -5.06 117.16 112.95 1orm n TYR 105 Ca -0.06 -1.16 -0.44 0.00 3.31 0.00 0.00 57.90 59.55 1orm n TYR 105 Cb 0.24 1.23 0.00 0.00 0.49 0.00 0.00 39.34 41.31 1orm n TYR 105 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1orm n GLY 106 N -1.05 3.89 3.74 2.98 0.00 -1.26 -4.57 105.19 108.92 1orm n GLY 106 Ca -0.12 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.18 1orm n GLY 106 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1orm s PHE 107 N 0.03 3.90 -0.32 1.61 -0.12 -1.24 -2.08 117.98 119.75 1orm s PHE 107 Ca 0.37 1.86 -0.01 0.00 -0.05 0.00 0.00 56.93 59.10 1orm s PHE 107 Cb -0.05 -3.02 0.07 0.00 -0.63 0.00 0.00 43.02 39.38 1orm s PHE 107 CO -0.03 0.33 0.03 -1.12 -0.05 0.00 0.00 175.22 174.37 1orm s SER 108 N -0.59 4.89 -0.18 1.98 0.01 -1.05 -4.15 113.70 114.61 1orm s SER 108 Ca 0.44 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1orm s SER 108 Cb -0.25 -1.71 0.04 0.00 0.21 0.00 0.00 66.02 64.31 1orm s SER 108 CO 0.31 -0.31 -0.10 -0.47 0.41 0.00 0.00 173.24 173.08 1orm s TYR 109 N 1.19 2.19 0.00 2.43 5.04 -1.19 -3.57 117.35 123.44 1orm s TYR 109 Ca -0.02 -1.39 0.00 0.00 -2.44 0.00 0.00 57.07 53.22 1orm s TYR 109 Cb -0.20 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.56 1orm s TYR 109 CO -0.03 -0.70 0.00 0.41 -1.34 0.00 0.00 175.55 173.90 1orm n GLY 110 N 4.75 5.23 3.09 8.97 0.00 -1.26 -3.15 105.19 122.81 1orm n GLY 110 Ca -0.14 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1orm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orm s ALA 111 N -1.90 -0.60 0.39 4.61 0.00 -1.26 -4.50 121.76 118.50 1orm s ALA 111 Ca 0.00 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 1orm s ALA 111 Cb 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 23.12 22.45 1orm s ALA 111 CO 0.00 -0.18 0.84 0.20 0.00 0.00 0.00 175.76 176.62 1orm s GLY 112 N 0.92 2.26 -0.28 0.00 0.00 -1.26 -4.64 107.32 104.32 1orm s GLY 112 Ca -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 1orm s GLY 112 CO -0.06 0.37 0.30 -2.27 0.00 0.00 0.00 173.10 171.44 1orm s LEU 113 N -3.31 -0.28 -0.25 0.66 0.20 -1.26 -4.83 118.68 109.60 1orm s LEU 113 Ca 0.57 -0.60 -0.10 0.00 0.69 0.00 0.00 54.13 54.68 1orm s LEU 113 Cb -0.10 0.57 -0.05 0.00 -0.43 0.00 0.00 46.19 46.18 1orm s LEU 113 CO 0.20 -0.37 0.15 -1.58 -0.29 0.00 0.00 176.35 174.45 1orm s GLN 114 N 2.38 3.97 0.64 1.98 0.74 -1.26 -3.81 119.66 124.30 1orm s GLN 114 Ca 0.09 -0.32 -0.06 0.00 0.05 0.00 0.00 55.36 55.13 1orm s GLN 114 Cb -0.14 -3.52 0.03 0.00 1.10 0.00 0.00 33.01 30.49 1orm s GLN 114 CO -0.29 -0.02 0.94 -0.06 -0.55 0.00 0.00 175.29 175.31 1orm s PHE 115 N 1.27 3.07 -0.21 1.67 0.40 -1.22 -5.04 117.98 117.92 1orm s PHE 115 Ca 0.07 0.50 -0.22 0.00 -0.60 0.00 0.00 56.93 56.68 1orm s PHE 115 Cb -0.14 -2.95 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 1orm s PHE 115 CO 0.06 -1.10 0.68 -0.80 0.70 0.00 0.00 175.22 174.75 1orm s ASN 116 N -4.41 6.72 0.73 1.36 -0.87 -1.26 -4.88 114.94 112.32 1orm s ASN 116 Ca 0.57 0.88 -0.11 0.00 -1.57 0.00 0.00 52.86 52.63 1orm s ASN 116 Cb -0.11 -2.37 0.03 0.00 -0.02 0.00 0.00 41.25 38.78 1orm s ASN 116 CO 0.44 -0.33 1.07 -2.16 -2.57 0.00 0.00 177.10 173.56 1orm s PRO 117 N 2.15 2.63 0.20 -0.60 0.04 -1.26 -4.94 135.00 133.23 1orm s PRO 117 Ca 0.30 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1orm s PRO 117 Cb -0.16 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1orm s PRO 117 CO 0.10 -1.28 0.00 -0.12 0.04 0.00 0.00 177.00 175.73 1orm n MET 118 N -3.24 0.00 -0.07 4.56 1.56 -1.26 -5.01 117.12 113.66 1orm n MET 118 Ca 0.07 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.38 1orm n MET 118 Cb 0.55 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.86 1orm n MET 118 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1orm n GLU 119 N -2.99 0.32 0.00 2.12 0.28 -1.26 -4.98 120.64 114.12 1orm n GLU 119 Ca 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1orm n GLU 119 Cb 0.00 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1orm n GLU 119 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1orm n ASN 120 N -3.30 0.00 -3.52 -1.84 6.94 -1.26 -5.13 115.26 107.15 1orm n ASN 120 Ca -0.26 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.08 1orm n ASN 120 Cb 0.72 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 38.00 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1orm s VAL 121 N 0.00 -0.24 -0.48 3.53 0.11 -1.26 -4.86 120.40 117.20 1orm s VAL 121 Ca 0.00 -0.23 0.07 0.00 -2.93 0.00 0.00 61.98 58.89 1orm s VAL 121 Cb 0.00 -0.71 0.25 0.00 -1.53 0.00 0.00 36.38 34.39 1orm s VAL 121 CO 0.00 -0.31 0.60 0.00 -3.33 0.00 0.00 175.10 172.07 1orm n ALA 122 N 5.30 3.03 -2.71 1.54 0.00 -1.26 -4.09 120.51 122.31 1orm n ALA 122 Ca -0.06 -3.90 -0.37 0.00 0.00 0.00 0.00 53.44 49.11 1orm n ALA 122 Cb 0.48 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 1orm n ALA 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1orm s LEU 123 N -1.65 4.23 -0.43 0.00 1.43 -1.26 -4.35 118.68 116.65 1orm s LEU 123 Ca 0.37 0.56 0.06 0.00 -1.03 0.00 0.00 54.13 54.08 1orm s LEU 123 Cb 0.16 -2.46 0.20 0.00 0.03 0.00 0.00 46.19 44.12 1orm s LEU 123 CO -0.07 0.04 0.43 0.47 0.23 0.00 0.00 176.35 177.44 1orm n ASP 124 N 3.82 0.07 -3.48 2.29 9.92 -1.26 -3.37 116.55 124.54 1orm n ASP 124 Ca -0.10 -2.57 -0.05 0.00 -0.53 0.00 0.00 54.79 51.54 1orm n ASP 124 Cb 0.52 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1orm n ASP 124 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1orm s PHE 125 N -0.56 -0.03 0.00 1.24 0.08 -1.25 -4.84 117.98 112.62 1orm s PHE 125 Ca 0.34 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1orm s PHE 125 Cb 0.09 0.72 0.00 0.00 -0.57 0.00 0.00 43.02 43.25 1orm s PHE 125 CO -0.16 -1.10 0.00 0.45 -0.10 0.00 0.00 175.22 174.31 1orm n SER 126 N -0.88 0.00 -4.26 1.36 2.88 -1.26 -4.69 113.62 106.78 1orm n SER 126 Ca -0.05 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.34 1orm n SER 126 Cb 0.60 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 1orm n SER 126 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1orm s TYR 127 N 0.00 1.33 -0.30 0.66 2.02 -1.26 -4.67 117.35 115.13 1orm s TYR 127 Ca 0.00 -1.27 -0.17 0.00 -0.37 0.00 0.00 57.07 55.26 1orm s TYR 127 Cb 0.00 -0.72 0.18 0.00 -0.40 0.00 0.00 41.96 41.01 1orm s TYR 127 CO 0.00 -0.47 1.13 -2.00 -1.57 0.00 0.00 175.55 172.63 1orm s GLU 128 N -4.09 0.18 0.10 -0.62 2.12 -1.24 -4.29 118.70 110.86 1orm s GLU 128 Ca 0.37 0.44 -0.22 0.00 0.36 0.00 0.00 54.97 55.92 1orm s GLU 128 Cb 0.07 0.26 -0.07 0.00 0.26 0.00 0.00 34.13 34.65 1orm s GLU 128 CO 0.12 -0.06 0.66 -0.65 -0.54 0.00 0.00 175.26 174.79 1orm s GLN 129 N 2.23 4.36 -0.27 4.30 -0.21 -1.19 -3.79 119.66 125.10 1orm s GLN 129 Ca -0.01 0.90 -0.01 0.00 0.02 0.00 0.00 55.36 56.26 1orm s GLN 129 Cb -0.04 -3.27 0.15 0.00 1.00 0.00 0.00 33.01 30.86 1orm s GLN 129 CO -0.17 0.57 0.40 0.45 -2.12 0.00 0.00 175.29 174.42 1orm s SER 130 N -0.96 0.25 -0.76 5.90 0.15 -1.25 -3.14 113.70 113.88 1orm s SER 130 Ca 0.32 -0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.86 1orm s SER 130 Cb -0.21 1.15 0.20 0.00 -1.71 0.00 0.00 66.02 65.45 1orm s SER 130 CO 0.22 -0.32 0.66 -0.13 1.20 0.00 0.00 173.24 174.87 1orm s ARG 131 N 2.56 3.26 -1.12 5.44 1.81 -1.26 -3.66 118.95 125.98 1orm s ARG 131 Ca 0.12 -2.51 -0.21 0.00 -1.72 0.00 0.00 55.73 51.41 1orm s ARG 131 Cb -0.14 -4.19 0.06 0.00 -0.45 0.00 0.00 34.95 30.22 1orm s ARG 131 CO -0.22 -1.25 1.55 0.42 -0.68 0.00 0.00 175.30 175.12 1orm s ILE 132 N 0.05 3.99 -0.91 1.52 -1.09 -1.26 -3.96 121.20 119.54 1orm s ILE 132 Ca 0.18 -1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 57.41 1orm s ILE 132 Cb -0.13 -5.10 -0.03 0.00 -1.58 0.00 0.00 42.46 35.62 1orm s ILE 132 CO -0.07 -1.96 0.77 -1.14 -1.23 0.00 0.00 174.94 171.31 1orm n ARG 133 N 8.72 -3.71 -2.92 2.79 0.63 -1.26 -4.10 116.66 116.81 1orm n ARG 133 Ca 0.39 0.69 -0.09 0.00 -0.92 0.00 0.00 57.85 57.91 1orm n ARG 133 Cb 0.49 -5.10 0.01 0.00 0.45 0.00 0.00 32.46 28.32 1orm n ARG 133 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1orm n SER 134 N -2.79 -7.77 -3.67 6.15 2.88 -1.25 -5.05 113.62 102.11 1orm n SER 134 Ca -0.15 0.42 -0.14 0.00 -1.33 0.00 0.00 58.87 57.67 1orm n SER 134 Cb 0.62 -5.14 -0.08 0.00 -0.75 0.00 0.00 64.21 58.86 1orm n SER 134 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1orm s VAL 135 N -2.58 0.00 -0.66 2.46 0.11 -1.26 -4.96 120.40 113.52 1orm s VAL 135 Ca 0.23 -0.01 -0.25 0.00 -2.93 0.00 0.00 61.98 59.03 1orm s VAL 135 Cb -0.06 -0.81 0.05 0.00 -1.53 0.00 0.00 36.38 34.03 1orm s VAL 135 CO 0.78 -0.00 1.08 -0.62 -3.33 0.00 0.00 175.10 173.00 1orm s ASP 136 N 0.24 6.22 -0.20 3.54 2.15 -1.26 -4.11 116.67 123.25 1orm s ASP 136 Ca -0.01 -0.62 0.01 0.00 0.43 0.00 0.00 52.55 52.37 1orm s ASP 136 Cb -0.04 -2.48 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1orm s ASP 136 CO 0.01 -1.53 -0.14 -0.69 -0.17 0.00 0.00 175.17 172.65 1orm s VAL 137 N 4.64 1.89 0.14 1.11 1.01 -1.22 -2.55 120.40 125.41 1orm s VAL 137 Ca 0.29 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1orm s VAL 137 Cb -0.13 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1orm s VAL 137 CO 0.15 0.27 0.52 -0.83 0.00 0.00 0.00 175.10 175.20 1orm s GLY 138 N 1.30 2.42 -0.08 4.51 0.00 -1.26 -3.97 107.32 110.25 1orm s GLY 138 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.51 1orm s GLY 138 CO -0.09 0.07 -0.02 -1.59 0.00 0.00 0.00 173.10 171.47 1orm s THR 139 N -1.47 0.52 -0.26 0.90 2.01 -1.25 -4.44 115.64 111.64 1orm s THR 139 Ca 0.37 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 1orm s THR 139 Cb -0.14 -0.64 0.15 0.00 0.01 0.00 0.00 72.50 71.87 1orm s THR 139 CO 0.19 0.28 0.48 0.86 -0.69 0.00 0.00 174.62 175.74 1orm s TRP 140 N 1.83 -1.13 0.08 4.92 -0.11 -1.26 -3.59 118.94 119.68 1orm s TRP 140 Ca 0.04 1.35 0.06 0.00 1.22 0.00 0.00 56.10 58.76 1orm s TRP 140 Cb -0.12 0.31 -0.03 0.00 -1.50 0.00 0.00 33.47 32.12 1orm s TRP 140 CO -0.05 -0.74 -0.16 0.42 -4.62 0.00 0.00 176.95 171.80 1orm s ILE 141 N 2.69 1.29 -0.39 5.86 1.09 -1.26 -4.22 121.20 126.26 1orm s ILE 141 Ca 0.12 -1.38 0.03 0.00 -1.10 0.00 0.00 60.65 58.32 1orm s ILE 141 Cb -0.15 -1.22 0.11 0.00 -1.06 0.00 0.00 42.46 40.15 1orm s ILE 141 CO -0.17 -0.18 0.14 0.00 -0.10 0.00 0.00 174.94 174.63 1orm s ALA 142 N -1.25 2.53 0.11 9.38 0.00 -1.26 -4.52 121.76 126.75 1orm s ALA 142 Ca 0.01 -2.51 -0.10 0.00 0.00 0.00 0.00 51.96 49.36 1orm s ALA 142 Cb -0.10 -1.92 -0.06 0.00 0.00 0.00 0.00 23.12 21.04 1orm s ALA 142 CO 0.03 -1.83 0.43 0.20 0.00 0.00 0.00 175.76 174.59 1orm s GLY 143 N 0.70 2.34 -0.14 0.00 0.00 -1.26 -4.46 107.32 104.49 1orm s GLY 143 Ca 0.13 -0.36 -0.31 0.00 0.00 0.00 0.00 44.72 44.19 1orm s GLY 143 CO -0.09 -0.16 1.07 0.54 0.00 0.00 0.00 173.10 174.47 1orm s VAL 144 N -1.49 0.00 -5.00 1.40 0.11 -1.26 -4.04 120.40 110.12 1orm s VAL 144 Ca 0.36 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1orm s VAL 144 Cb -0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1orm s VAL 144 CO 0.19 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1orm n GLY 145 N 0.22 0.12 3.48 6.54 0.00 -1.26 -4.48 105.19 109.80 1orm n GLY 145 Ca -0.06 -1.48 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 1orm n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1orm s TYR 146 N -2.94 2.14 0.20 1.61 2.02 -1.26 -4.76 117.35 114.36 1orm s TYR 146 Ca 0.00 -0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 55.95 1orm s TYR 146 Cb 0.00 -1.24 -0.07 0.00 -0.40 0.00 0.00 41.96 40.25 1orm s TYR 146 CO 0.00 0.39 0.56 -0.98 -1.57 0.00 0.00 175.55 173.94 1orm s ARG 147 N -3.69 3.88 0.00 -0.62 1.70 -1.26 -3.37 118.95 115.59 1orm s ARG 147 Ca 0.31 0.38 0.31 0.00 -0.47 0.00 0.00 55.73 56.26 1orm s ARG 147 Cb 0.04 -2.75 1.77 0.00 -0.57 0.00 0.00 34.95 33.44 1orm s ARG 147 CO 0.14 0.37 2.15 0.34 -1.08 0.00 0.00 175.30 177.22