#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cc3 n GLU 2 N 0.00 0.00 -1.34 0.00 0.00 -1.26 -4.99 120.64 113.05 1cc3 n GLU 2 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 56.89 1cc3 n GLU 2 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 31.44 31.55 1cc3 n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cc3 s SER 4 N -2.04 -0.13 -0.19 0.00 1.04 -1.26 -1.11 113.70 110.02 1cc3 s SER 4 Ca 0.59 -0.85 -0.18 0.00 0.48 0.00 0.00 55.95 55.99 1cc3 s SER 4 Cb 0.48 0.61 0.05 0.00 0.10 0.00 0.00 66.02 67.26 1cc3 s SER 4 CO 0.03 -1.17 0.50 0.54 0.98 0.00 0.00 173.24 174.12 1cc3 s VAL 5 N -3.99 0.00 -0.21 5.02 0.11 0.78 -4.81 120.40 117.30 1cc3 s VAL 5 Ca 0.20 -0.01 -0.13 0.00 -2.93 0.00 0.00 61.98 59.11 1cc3 s VAL 5 Cb -0.02 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1cc3 s VAL 5 CO 0.08 -0.00 0.28 -1.81 -3.33 0.00 0.00 175.10 170.32 1cc3 s ASP 6 N 0.23 6.29 -0.05 3.54 1.01 -1.26 -0.31 116.67 126.13 1cc3 s ASP 6 Ca -0.00 0.34 0.03 0.00 0.71 0.00 0.00 52.55 53.63 1cc3 s ASP 6 Cb -0.03 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.73 1cc3 s ASP 6 CO 0.01 0.00 -0.14 -0.63 0.21 0.00 0.00 175.17 174.62 1cc3 s ILE 7 N 1.12 1.23 -0.10 0.77 -1.09 -0.35 -4.94 121.20 117.83 1cc3 s ILE 7 Ca 0.14 -0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 1cc3 s ILE 7 Cb -0.14 -1.08 -0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1cc3 s ILE 7 CO 0.06 0.37 -0.06 -1.10 -1.23 0.00 0.00 174.94 172.98 1cc3 s GLN 8 N 0.29 3.11 -0.27 2.79 1.11 -1.26 -1.09 119.66 124.34 1cc3 s GLN 8 Ca -0.08 -0.53 -0.04 0.00 0.01 0.00 0.00 55.36 54.72 1cc3 s GLN 8 Cb -0.13 -2.72 0.02 0.00 -1.01 0.00 0.00 33.01 29.18 1cc3 s GLN 8 CO 0.03 0.50 0.01 0.20 0.01 0.00 0.00 175.29 176.04 1cc3 s GLY 9 N -0.36 1.71 0.00 3.09 0.00 -0.04 -2.74 107.32 108.98 1cc3 s GLY 9 Ca 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1cc3 s GLY 9 CO 0.02 0.59 0.00 1.16 0.00 0.00 0.00 173.10 174.87 1cc3 n ASN 10 N 4.76 0.30 0.00 1.64 0.23 -0.73 -3.31 115.26 118.16 1cc3 n ASN 10 Ca -0.15 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.03 1cc3 n ASN 10 Cb 0.47 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.88 1cc3 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cc3 n ASP 11 N 0.00 0.00 -0.80 0.53 8.00 -1.25 -3.29 116.55 119.74 1cc3 n ASP 11 Ca 0.00 -0.36 0.08 0.00 0.71 0.00 0.00 54.79 55.22 1cc3 n ASP 11 Cb 0.00 -0.18 0.24 0.00 -0.02 0.00 0.00 41.12 41.16 1cc3 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cc3 n GLN 12 N -1.18 2.62 -3.69 -1.24 3.00 -1.26 -4.94 117.38 110.69 1cc3 n GLN 12 Ca 0.15 -2.83 -0.27 0.00 -0.01 0.00 0.00 57.00 54.04 1cc3 n GLN 12 Cb 0.17 -1.80 0.05 0.00 0.00 0.00 0.00 30.24 28.65 1cc3 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1cc3 n MET 13 N -0.69 -6.41 -4.18 -1.09 2.81 -1.21 -4.91 117.12 101.45 1cc3 n MET 13 Ca 0.22 0.71 -0.34 0.00 -1.81 0.00 0.00 57.70 56.48 1cc3 n MET 13 Cb 0.87 -5.67 -0.11 0.00 -0.71 0.00 0.00 33.22 27.61 1cc3 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1cc3 s GLN 14 N -6.40 3.81 0.19 0.03 -0.21 -1.26 -4.46 119.66 111.36 1cc3 s GLN 14 Ca 0.60 -0.41 -0.10 0.00 0.02 0.00 0.00 55.36 55.46 1cc3 s GLN 14 Cb -0.28 -3.08 -0.07 0.00 1.00 0.00 0.00 33.01 30.58 1cc3 s GLN 14 CO 0.74 0.29 0.52 -0.06 -2.12 0.00 0.00 175.29 174.65 1cc3 s PHE 15 N 0.29 3.48 -1.43 0.91 0.08 -1.26 -1.78 117.98 118.28 1cc3 s PHE 15 Ca 0.01 0.87 0.29 0.00 0.12 0.00 0.00 56.93 58.22 1cc3 s PHE 15 Cb -0.13 -2.25 1.37 0.00 -0.57 0.00 0.00 43.02 41.44 1cc3 s PHE 15 CO 0.01 0.35 1.96 0.27 -0.10 0.00 0.00 175.22 177.71 1cc3 n ASN 16 N 0.19 0.16 -3.79 1.36 6.94 -1.11 -4.82 115.26 114.20 1cc3 n ASN 16 Ca -0.02 -0.21 -0.13 0.00 -0.02 0.00 0.00 54.58 54.21 1cc3 n ASN 16 Cb 0.52 -0.22 -0.09 0.00 -2.36 0.00 0.00 39.78 37.63 1cc3 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1cc3 s THR 17 N -2.61 0.06 -0.15 5.53 -1.32 -1.26 -5.02 115.64 110.87 1cc3 s THR 17 Ca 0.26 -0.48 0.16 0.00 -1.21 0.00 0.00 61.69 60.42 1cc3 s THR 17 Cb 0.20 -0.54 0.32 0.00 -1.51 0.00 0.00 72.50 70.97 1cc3 s THR 17 CO 0.48 -0.26 1.17 -0.46 -2.21 0.00 0.00 174.62 173.34 1cc3 n ASN 18 N 1.52 1.99 -3.60 8.08 0.23 -1.26 -4.79 115.26 117.43 1cc3 n ASN 18 Ca -0.21 -3.27 -0.02 0.00 -0.53 0.00 0.00 54.58 50.55 1cc3 n ASN 18 Cb 0.56 -0.45 -0.05 0.00 -2.08 0.00 0.00 39.78 37.76 1cc3 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cc3 s ALA 19 N -2.77 -2.16 -0.07 -2.53 0.00 -1.26 -2.04 121.76 110.92 1cc3 s ALA 19 Ca 0.32 2.30 0.04 0.00 0.00 0.00 0.00 51.96 54.62 1cc3 s ALA 19 Cb 0.30 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 1cc3 s ALA 19 CO -0.01 -0.75 -0.20 0.42 0.00 0.00 0.00 175.76 175.23 1cc3 s ILE 20 N 2.36 2.50 -0.19 0.00 1.01 0.31 -4.98 121.20 122.21 1cc3 s ILE 20 Ca -0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1cc3 s ILE 20 Cb -0.08 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1cc3 s ILE 20 CO -0.19 0.57 -0.02 -0.89 0.00 0.00 0.00 174.94 174.41 1cc3 s THR 21 N -0.17 3.78 -0.19 2.92 2.01 -1.26 -1.33 115.64 121.39 1cc3 s THR 21 Ca -0.02 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 1cc3 s THR 21 Cb -0.14 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 1cc3 s THR 21 CO 0.04 0.45 0.12 -0.69 -0.69 0.00 0.00 174.62 173.84 1cc3 s VAL 22 N 0.90 5.33 -0.11 3.82 1.01 0.14 -4.96 120.40 126.53 1cc3 s VAL 22 Ca 0.00 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 1cc3 s VAL 22 Cb -0.14 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1cc3 s VAL 22 CO 0.02 0.45 0.92 -0.62 0.00 0.00 0.00 175.10 175.86 1cc3 s ASP 23 N 0.31 7.15 0.28 3.32 -1.08 -1.26 -0.48 116.67 124.90 1cc3 s ASP 23 Ca 0.08 1.41 0.20 0.00 -0.52 0.00 0.00 52.55 53.72 1cc3 s ASP 23 Cb -0.11 -2.51 1.03 0.00 -1.46 0.00 0.00 42.92 39.86 1cc3 s ASP 23 CO -0.02 -0.37 1.62 2.29 0.52 0.00 0.00 175.17 179.22 1cc3 n LYS 24 N 4.78 0.14 0.00 4.34 2.85 -1.26 -0.71 118.16 128.30 1cc3 n LYS 24 Ca 0.06 0.57 0.12 0.00 -1.05 0.00 0.00 58.31 58.01 1cc3 n LYS 24 Cb 0.49 -1.89 0.61 0.00 -0.65 0.00 0.00 35.03 33.59 1cc3 n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1cc3 n SER 25 N -2.18 0.00 -4.67 -5.58 3.41 -1.26 -4.72 113.62 98.62 1cc3 n SER 25 Ca -0.00 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 1cc3 n SER 25 Cb 0.08 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1cc3 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cc3 h LYS 27 N 7.30 0.53 -4.52 0.00 3.64 -1.88 -3.40 116.57 118.24 1cc3 h LYS 27 Ca -0.28 -0.37 -0.26 0.00 -1.27 0.00 0.00 60.65 58.47 1cc3 h LYS 27 Cb 1.12 0.06 -0.21 0.00 -0.41 0.00 0.00 32.23 32.79 1cc3 h LYS 27 CO 0.86 0.99 -0.73 -0.65 -2.27 0.00 0.00 179.45 177.66 1cc3 s GLN 28 N -3.86 0.54 0.01 1.90 -0.21 -1.26 -0.93 119.66 115.84 1cc3 s GLN 28 Ca -0.07 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.54 1cc3 s GLN 28 Cb 0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 33.01 33.86 1cc3 s GLN 28 CO 0.85 0.03 -0.11 0.12 -2.12 0.00 0.00 175.29 174.06 1cc3 s PHE 29 N -1.61 1.00 -0.04 0.91 5.36 -0.03 -4.83 117.98 118.73 1cc3 s PHE 29 Ca -0.08 -0.24 0.05 0.00 -0.96 0.00 0.00 56.93 55.69 1cc3 s PHE 29 Cb -0.08 -0.63 -0.01 0.00 -0.34 0.00 0.00 43.02 41.96 1cc3 s PHE 29 CO -0.00 -0.01 -0.19 0.99 -1.46 0.00 0.00 175.22 174.55 1cc3 s THR 30 N -0.47 1.54 -0.19 0.12 2.01 -0.26 -1.14 115.64 117.25 1cc3 s THR 30 Ca 0.03 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1cc3 s THR 30 Cb -0.05 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1cc3 s THR 30 CO 0.00 0.44 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.56 1cc3 s VAL 31 N -0.03 2.77 -0.38 3.82 1.01 -0.27 -0.15 120.40 127.16 1cc3 s VAL 31 Ca -0.03 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1cc3 s VAL 31 Cb -0.12 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.11 1cc3 s VAL 31 CO 0.02 0.49 0.18 0.20 0.00 0.00 0.00 175.10 175.99 1cc3 s ASN 32 N 1.18 5.49 0.00 3.32 0.01 0.58 -1.79 114.94 123.74 1cc3 s ASN 32 Ca 0.02 -1.30 -0.20 0.00 -0.71 0.00 0.00 52.86 50.67 1cc3 s ASN 32 Cb -0.14 -1.93 -0.06 0.00 0.41 0.00 0.00 41.25 39.53 1cc3 s ASN 32 CO -0.05 -0.42 0.57 -0.22 -1.51 0.00 0.00 177.10 175.47 1cc3 s LEU 33 N 1.42 4.43 0.32 0.60 2.96 0.23 -1.22 118.68 127.43 1cc3 s LEU 33 Ca 0.01 1.15 0.04 0.00 -0.22 0.00 0.00 54.13 55.10 1cc3 s LEU 33 Cb -0.21 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1cc3 s LEU 33 CO 0.03 0.14 0.33 -0.94 -1.32 0.00 0.00 176.35 174.58 1cc3 s SER 34 N -0.35 1.31 -0.36 3.68 1.04 -0.25 -1.45 113.70 117.33 1cc3 s SER 34 Ca 0.30 -1.64 -0.00 0.00 0.48 0.00 0.00 55.95 55.08 1cc3 s SER 34 Cb -0.18 0.58 0.13 0.00 0.10 0.00 0.00 66.02 66.64 1cc3 s SER 34 CO 0.17 -1.12 0.19 -2.28 0.98 0.00 0.00 173.24 171.18 1cc3 s HIS 35 N -3.39 1.08 1.12 5.02 2.46 -1.14 -0.86 115.29 119.58 1cc3 s HIS 35 Ca 0.37 -1.71 -0.13 0.00 0.47 0.00 0.00 55.06 54.07 1cc3 s HIS 35 Cb 0.02 -1.25 0.23 0.00 -0.13 0.00 0.00 32.58 31.45 1cc3 s HIS 35 CO 0.24 -0.82 0.85 -2.30 -2.47 0.00 0.00 174.74 170.24 1cc3 n PRO 36 N 4.22 -1.95 0.00 2.88 -0.02 -1.21 -2.64 135.00 136.28 1cc3 n PRO 36 Ca 0.06 -0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 1cc3 n PRO 36 Cb 0.38 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1cc3 n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cc3 n GLY 37 N 1.08 -1.71 0.00 -1.23 0.00 -1.26 -3.88 105.19 98.19 1cc3 n GLY 37 Ca 0.04 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1cc3 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cc3 n ASN 38 N 0.07 0.65 -4.78 1.61 5.03 -1.26 -4.43 115.26 112.15 1cc3 n ASN 38 Ca 0.00 -0.83 -0.37 0.00 0.87 0.00 0.00 54.58 54.25 1cc3 n ASN 38 Cb 0.00 0.36 -0.06 0.00 -1.02 0.00 0.00 39.78 39.05 1cc3 n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1cc3 s LEU 39 N -0.72 4.33 0.89 3.41 1.43 -1.26 -4.76 118.68 122.01 1cc3 s LEU 39 Ca 0.00 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.65 1cc3 s LEU 39 Cb 0.00 -2.43 0.13 0.00 0.03 0.00 0.00 46.19 43.92 1cc3 s LEU 39 CO 0.00 0.20 1.12 -2.16 0.23 0.00 0.00 176.35 175.74 1cc3 s PRO 40 N -0.17 1.28 0.58 1.29 0.04 -1.26 -0.33 135.00 136.43 1cc3 s PRO 40 Ca 0.19 0.46 0.34 0.00 0.04 0.00 0.00 61.00 62.03 1cc3 s PRO 40 Cb -0.14 -1.84 1.76 0.00 0.04 0.00 0.00 34.50 34.31 1cc3 s PRO 40 CO 0.07 -2.13 2.16 1.57 0.04 0.00 0.00 177.00 178.71 1cc3 h LYS 41 N -1.46 0.00 0.08 4.56 2.10 -1.81 0.57 116.57 120.62 1cc3 h LYS 41 Ca -0.50 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 57.89 1cc3 h LYS 41 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1cc3 h LYS 41 CO 0.60 0.05 -1.12 -2.95 -2.00 0.00 0.00 179.45 174.03 1cc3 h ASN 42 N 0.00 0.46 0.36 7.07 -1.07 -1.94 -2.59 115.58 117.88 1cc3 h ASN 42 Ca -0.00 -0.44 -0.27 0.00 0.07 0.00 0.00 56.30 55.66 1cc3 h ASN 42 Cb 0.23 -0.15 -0.05 0.00 -2.07 0.00 0.00 38.32 36.29 1cc3 h ASN 42 CO 0.01 1.30 -1.87 1.33 0.07 0.00 0.00 177.43 178.27 1cc3 n VAL 43 N -3.62 1.36 -2.97 6.14 0.24 -1.02 -4.71 118.33 113.75 1cc3 n VAL 43 Ca -0.08 -0.78 -0.14 0.00 -2.04 0.00 0.00 64.34 61.31 1cc3 n VAL 43 Cb 0.95 -0.73 0.03 0.00 -1.47 0.00 0.00 33.84 32.61 1cc3 n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1cc3 n MET 44 N -2.87 0.99 -3.23 7.34 0.00 0.16 -4.78 117.12 114.73 1cc3 n MET 44 Ca -0.19 -2.70 -0.39 0.00 -0.00 0.00 0.00 57.70 54.42 1cc3 n MET 44 Cb 1.01 -1.38 -0.06 0.00 0.00 0.00 0.00 33.22 32.79 1cc3 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1cc3 s GLY 45 N -1.89 2.60 0.12 -5.12 0.00 -0.97 -4.56 107.32 97.50 1cc3 s GLY 45 Ca 0.31 0.01 0.06 0.00 0.00 0.00 0.00 44.72 45.11 1cc3 s GLY 45 CO -0.07 0.70 -0.15 0.30 0.00 0.00 0.00 173.10 173.89 1cc3 s HIS 46 N -0.28 1.46 0.37 1.90 3.76 -0.38 -4.61 115.29 117.51 1cc3 s HIS 46 Ca 0.30 -0.52 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 1cc3 s HIS 46 Cb -0.18 -0.77 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 1cc3 s HIS 46 CO 0.17 0.16 0.22 0.54 -0.85 0.00 0.00 174.74 174.97 1cc3 s ASN 47 N -2.32 2.22 -0.10 1.40 2.20 -1.26 -0.35 114.94 116.72 1cc3 s ASN 47 Ca 0.08 -1.74 -0.00 0.00 -0.94 0.00 0.00 52.86 50.25 1cc3 s ASN 47 Cb -0.06 0.57 0.02 0.00 -2.00 0.00 0.00 41.25 39.78 1cc3 s ASN 47 CO 0.03 -1.02 -0.06 0.86 -2.94 0.00 0.00 177.10 173.97 1cc3 s TRP 48 N -3.33 1.29 -0.03 1.54 -0.00 -1.26 -3.89 118.94 113.26 1cc3 s TRP 48 Ca 0.32 -0.59 0.03 0.00 -0.00 0.00 0.00 56.10 55.86 1cc3 s TRP 48 Cb 0.02 -1.11 0.00 0.00 -0.00 0.00 0.00 33.47 32.38 1cc3 s TRP 48 CO 0.22 -0.45 -0.11 0.08 -0.00 0.00 0.00 176.95 176.69 1cc3 s VAL 49 N 1.66 0.92 -0.09 5.86 1.01 -0.18 -0.05 120.40 129.53 1cc3 s VAL 49 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1cc3 s VAL 49 Cb -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1cc3 s VAL 49 CO -0.07 0.28 -0.23 -0.22 0.00 0.00 0.00 175.10 174.87 1cc3 s LEU 50 N 0.09 2.03 0.23 3.92 2.96 0.68 -0.87 118.68 127.72 1cc3 s LEU 50 Ca -0.02 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 1cc3 s LEU 50 Cb -0.08 -1.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 1cc3 s LEU 50 CO 0.01 0.15 0.43 -0.94 -1.32 0.00 0.00 176.35 174.68 1cc3 s SER 51 N 0.32 -0.07 0.78 3.68 1.04 -0.59 0.93 113.70 119.80 1cc3 s SER 51 Ca -0.17 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.20 1cc3 s SER 51 Cb -0.17 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.57 1cc3 s SER 51 CO 0.08 -1.09 1.14 0.42 0.98 0.00 0.00 173.24 174.77 1cc3 s THR 52 N -4.02 2.69 0.32 2.02 -4.23 -1.26 0.42 115.64 111.58 1cc3 s THR 52 Ca 0.23 0.27 0.02 0.00 -1.18 0.00 0.00 61.69 61.03 1cc3 s THR 52 Cb 0.00 -2.66 0.28 0.00 1.34 0.00 0.00 72.50 71.46 1cc3 s THR 52 CO 0.08 -0.25 1.94 0.00 -0.54 0.00 0.00 174.62 175.86 1cc3 h ALA 53 N -0.89 1.55 -0.20 3.99 0.00 0.46 -1.24 119.26 122.92 1cc3 h ALA 53 Ca -0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1cc3 h ALA 53 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1cc3 h ALA 53 CO 0.49 0.35 0.01 0.00 0.00 0.00 0.00 179.25 180.10 1cc3 h ALA 54 N 1.54 1.65 -0.01 0.00 0.00 -1.91 -3.10 119.26 117.43 1cc3 h ALA 54 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1cc3 h ALA 54 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1cc3 h ALA 54 CO -0.11 0.26 -0.34 -0.25 0.00 0.00 0.00 179.25 178.81 1cc3 n ASP 55 N -4.38 1.15 -0.07 0.00 8.00 -0.49 -4.38 116.55 116.39 1cc3 n ASP 55 Ca -0.00 -0.94 -0.12 0.00 0.71 0.00 0.00 54.79 54.43 1cc3 n ASP 55 Cb 0.18 0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 1cc3 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1cc3 h MET 56 N 1.27 0.40 -0.72 -1.24 4.05 -1.42 0.76 114.93 118.03 1cc3 h MET 56 Ca 0.00 -0.17 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 1cc3 h MET 56 Cb 0.55 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 1cc3 h MET 56 CO 0.00 0.69 0.47 1.96 0.23 0.00 0.00 176.91 180.26 1cc3 h GLN 57 N 0.09 0.92 -0.66 0.39 7.50 -1.79 0.01 115.11 121.57 1cc3 h GLN 57 Ca 0.04 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.10 1cc3 h GLN 57 Cb 0.57 -0.21 -0.03 0.00 0.05 0.00 0.00 27.48 27.86 1cc3 h GLN 57 CO 0.03 0.61 0.28 0.78 -1.50 0.00 0.00 178.83 179.02 1cc3 h GLY 58 N 0.95 1.05 1.06 3.46 0.00 -1.76 -0.40 103.07 107.43 1cc3 h GLY 58 Ca 0.28 -0.56 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1cc3 h GLY 58 CO -0.08 0.53 0.51 -2.08 0.00 0.00 0.00 176.54 175.43 1cc3 h VAL 59 N 0.93 1.09 0.06 4.60 2.07 -0.08 -1.30 116.25 123.63 1cc3 h VAL 59 Ca 0.22 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1cc3 h VAL 59 Cb 0.19 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1cc3 h VAL 59 CO -0.02 0.17 -0.03 0.58 0.02 0.00 0.00 177.57 178.29 1cc3 h VAL 60 N 0.92 1.26 -0.21 2.57 2.07 -0.25 -1.20 116.25 121.40 1cc3 h VAL 60 Ca 0.32 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1cc3 h VAL 60 Cb 0.12 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 1cc3 h VAL 60 CO -0.10 0.32 -0.26 0.74 0.02 0.00 0.00 177.57 178.29 1cc3 h THR 61 N -0.72 0.36 -0.21 2.57 2.02 -0.97 0.25 112.91 116.22 1cc3 h THR 61 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1cc3 h THR 61 Cb 0.59 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1cc3 h THR 61 CO 0.01 0.00 -0.25 0.44 0.37 0.00 0.00 175.52 176.09 1cc3 h ASP 62 N -0.29 0.39 -0.67 4.18 3.32 -1.30 -2.71 116.42 119.34 1cc3 h ASP 62 Ca 0.13 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1cc3 h ASP 62 Cb 0.48 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1cc3 h ASP 62 CO -0.38 0.65 0.27 1.23 -1.72 0.00 0.00 179.24 179.29 1cc3 h GLY 63 N 1.01 1.07 0.85 2.75 0.00 -0.57 -1.59 103.07 106.58 1cc3 h GLY 63 Ca 0.05 -0.58 0.03 0.00 0.00 0.00 0.00 47.33 46.84 1cc3 h GLY 63 CO 0.05 0.55 0.40 1.98 0.00 0.00 0.00 176.54 179.51 1cc3 h MET 64 N 0.94 0.75 -0.74 4.80 -1.53 -0.23 0.95 114.93 119.87 1cc3 h MET 64 Ca 0.22 -0.05 0.06 0.00 -3.44 0.00 0.00 59.70 56.50 1cc3 h MET 64 Cb 0.20 -0.17 -0.06 0.00 -0.55 0.00 0.00 31.60 31.03 1cc3 h MET 64 CO -0.02 0.50 0.43 0.00 0.14 0.00 0.00 176.91 177.96 1cc3 h ALA 65 N 1.29 1.00 -0.06 0.39 0.00 -1.03 -2.32 119.26 118.52 1cc3 h ALA 65 Ca 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1cc3 h ALA 65 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1cc3 h ALA 65 CO -0.11 0.13 -0.35 0.77 0.00 0.00 0.00 179.25 179.68 1cc3 h SER 66 N 0.79 0.13 -1.58 0.00 0.02 -0.56 -3.48 113.55 108.86 1cc3 h SER 66 Ca 0.33 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1cc3 h SER 66 Cb 0.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1cc3 h SER 66 CO -0.18 0.48 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 1cc3 n GLY 67 N -0.41 -1.26 0.36 -3.77 0.00 0.26 -4.15 105.19 96.21 1cc3 n GLY 67 Ca -0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.76 1cc3 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cc3 h LEU 68 N 0.00 1.06 -2.23 0.99 5.85 -1.87 0.94 115.31 120.04 1cc3 h LEU 68 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1cc3 h LEU 68 Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1cc3 h LEU 68 CO 0.00 0.74 0.00 -0.78 -0.34 0.00 0.00 178.44 178.06 1cc3 h ASP 69 N 1.24 0.00 -0.26 1.25 3.58 -1.99 -1.31 116.42 118.93 1cc3 h ASP 69 Ca 0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 1cc3 h ASP 69 Cb -0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1cc3 h ASP 69 CO -0.10 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.55 1cc3 n LYS 70 N -2.96 2.83 -2.14 0.28 4.76 -0.92 -4.95 118.16 115.07 1cc3 n LYS 70 Ca -0.01 -2.55 -0.19 0.00 -2.87 0.00 0.00 58.31 52.69 1cc3 n LYS 70 Cb 0.15 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.68 1cc3 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cc3 n ASP 71 N -0.25 -5.39 -3.50 4.39 8.00 -0.49 -1.64 116.55 117.67 1cc3 n ASP 71 Ca 0.17 0.11 -0.25 0.00 0.71 0.00 0.00 54.79 55.54 1cc3 n ASP 71 Cb 0.72 -4.47 0.05 0.00 -0.02 0.00 0.00 41.12 37.40 1cc3 n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1cc3 n TYR 72 N -3.60 -2.43 -4.56 1.24 4.01 0.28 -4.39 117.16 107.71 1cc3 n TYR 72 Ca -0.21 0.82 -0.23 0.00 -0.16 0.00 0.00 57.90 58.11 1cc3 n TYR 72 Cb 0.66 -4.49 -0.16 0.00 -0.31 0.00 0.00 39.34 35.04 1cc3 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1cc3 s LEU 73 N -7.08 1.77 0.10 7.72 1.43 -0.65 -3.87 118.68 118.10 1cc3 s LEU 73 Ca 0.52 -0.26 -0.32 0.00 -1.03 0.00 0.00 54.13 53.03 1cc3 s LEU 73 Cb -0.24 -0.74 -0.12 0.00 0.03 0.00 0.00 46.19 45.12 1cc3 s LEU 73 CO 0.64 0.08 1.77 1.17 0.23 0.00 0.00 176.35 180.24 1cc3 n LYS 74 N 3.40 2.53 -1.67 1.70 4.81 -1.26 -4.81 118.16 122.86 1cc3 n LYS 74 Ca -0.20 0.92 -0.46 0.00 -0.87 0.00 0.00 58.31 57.70 1cc3 n LYS 74 Cb 0.53 -2.77 -0.04 0.00 0.02 0.00 0.00 35.03 32.77 1cc3 n LYS 74 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1cc3 n PRO 75 N 5.15 2.21 -1.41 1.64 -0.02 -1.26 -1.83 135.00 139.48 1cc3 n PRO 75 Ca 0.18 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 62.32 1cc3 n PRO 75 Cb 0.34 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 1cc3 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1cc3 n ASP 76 N 4.59 -5.04 -3.35 2.55 8.00 -1.26 -4.87 116.55 117.16 1cc3 n ASP 76 Ca 0.19 0.35 -0.44 0.00 0.71 0.00 0.00 54.79 55.60 1cc3 n ASP 76 Cb 0.30 -3.79 -0.10 0.00 -0.02 0.00 0.00 41.12 37.51 1cc3 n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1cc3 n ASP 77 N -0.68 0.51 0.08 -2.24 -0.08 -0.76 -4.80 116.55 108.57 1cc3 n ASP 77 Ca -0.14 0.45 0.05 0.00 -1.51 0.00 0.00 54.79 53.64 1cc3 n ASP 77 Cb 0.52 -0.70 0.27 0.00 2.34 0.00 0.00 41.12 43.55 1cc3 n ASP 77 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1cc3 n SER 78 N 6.32 0.26 0.02 1.67 3.41 -1.26 -1.70 113.62 122.35 1cc3 n SER 78 Ca 0.45 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.79 1cc3 n SER 78 Cb -0.02 -0.65 0.08 0.00 -0.26 0.00 0.00 64.21 63.36 1cc3 n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1cc3 n ARG 79 N -1.85 0.21 -2.74 4.33 1.74 -1.26 -4.82 116.66 112.27 1cc3 n ARG 79 Ca -0.01 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 1cc3 n ARG 79 Cb 0.02 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 1cc3 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1cc3 s VAL 80 N -3.14 4.22 0.21 1.55 1.01 -0.69 -4.39 120.40 119.18 1cc3 s VAL 80 Ca 0.06 0.44 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 1cc3 s VAL 80 Cb 0.15 -4.63 0.15 0.00 0.00 0.00 0.00 36.38 32.05 1cc3 s VAL 80 CO 0.77 -1.26 1.77 0.40 0.00 0.00 0.00 175.10 176.78 1cc3 h ILE 81 N 6.06 1.26 -3.15 2.22 2.04 0.24 -3.46 117.51 122.73 1cc3 h ILE 81 Ca -0.26 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1cc3 h ILE 81 Cb 1.07 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 37.37 1cc3 h ILE 81 CO 1.14 0.35 0.11 0.00 0.00 0.00 0.00 178.15 179.74 1cc3 s ALA 82 N -5.50 -1.32 0.04 1.87 0.00 -1.18 -4.98 121.76 110.69 1cc3 s ALA 82 Ca -0.12 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.80 1cc3 s ALA 82 Cb 0.16 0.83 0.06 0.00 0.00 0.00 0.00 23.12 24.17 1cc3 s ALA 82 CO 0.84 -0.75 0.60 -3.38 0.00 0.00 0.00 175.76 173.08 1cc3 s HIS 83 N -3.79 -0.55 0.54 0.00 -3.43 -1.26 -0.23 115.29 106.58 1cc3 s HIS 83 Ca 0.03 0.68 0.02 0.00 -0.80 0.00 0.00 55.06 54.99 1cc3 s HIS 83 Cb -0.00 0.43 0.03 0.00 -1.43 0.00 0.00 32.58 31.61 1cc3 s HIS 83 CO -0.11 -0.69 0.77 0.95 -2.00 0.00 0.00 174.74 173.66 1cc3 s THR 84 N -2.33 2.68 0.97 -5.38 -4.23 0.93 -4.87 115.64 103.41 1cc3 s THR 84 Ca -0.06 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.65 1cc3 s THR 84 Cb -0.01 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 71.01 1cc3 s THR 84 CO -0.00 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.64 1cc3 s LYS 85 N -4.74 0.64 0.19 3.99 1.02 -1.26 -4.54 119.74 115.04 1cc3 s LYS 85 Ca 0.57 0.50 -0.30 0.00 0.02 0.00 0.00 55.97 56.77 1cc3 s LYS 85 Cb -0.10 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1cc3 s LYS 85 CO 0.38 -2.58 1.15 -1.17 -0.92 0.00 0.00 175.35 172.21 1cc3 s LEU 86 N -6.35 4.48 0.11 3.17 2.96 -1.26 -4.51 118.68 117.27 1cc3 s LEU 86 Ca 0.65 2.19 0.05 0.00 -0.22 0.00 0.00 54.13 56.80 1cc3 s LEU 86 Cb -0.18 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1cc3 s LEU 86 CO 0.57 -0.29 -0.14 0.27 -1.32 0.00 0.00 176.35 175.44 1cc3 s ILE 87 N -0.26 1.24 0.00 6.68 -4.36 0.52 -4.97 121.20 120.05 1cc3 s ILE 87 Ca 0.50 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 1cc3 s ILE 87 Cb -0.31 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 41.96 1cc3 s ILE 87 CO 0.37 -0.40 0.00 0.61 0.24 0.00 0.00 174.94 175.75 1cc3 n GLY 88 N 0.65 4.14 3.71 6.27 0.00 -1.26 -1.25 105.19 117.45 1cc3 n GLY 88 Ca -0.16 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.31 1cc3 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cc3 n SER 89 N -1.21 1.95 0.00 1.61 3.41 0.55 -2.28 113.62 117.66 1cc3 n SER 89 Ca 0.00 0.84 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1cc3 n SER 89 Cb 0.00 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.41 1cc3 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cc3 n GLY 90 N 0.96 0.34 3.73 5.00 0.00 -1.08 -4.91 105.19 109.22 1cc3 n GLY 90 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1cc3 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cc3 s GLU 91 N -0.82 2.40 -0.08 1.61 2.02 -0.96 -5.01 118.70 117.87 1cc3 s GLU 91 Ca 0.00 -1.49 -0.14 0.00 0.02 0.00 0.00 54.97 53.36 1cc3 s GLU 91 Cb 0.00 -2.20 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1cc3 s GLU 91 CO 0.00 0.17 0.34 0.21 0.02 0.00 0.00 175.26 176.00 1cc3 s LYS 92 N -3.82 0.54 -0.16 1.61 2.20 -1.26 -2.86 119.74 115.98 1cc3 s LYS 92 Ca 0.36 0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 56.03 1cc3 s LYS 92 Cb -0.04 0.25 0.05 0.00 -1.51 0.00 0.00 37.83 36.58 1cc3 s LYS 92 CO 0.22 -0.12 0.41 0.34 -0.36 0.00 0.00 175.35 175.85 1cc3 s ASP 93 N -0.54 -0.47 -0.04 1.43 2.15 -0.53 -5.01 116.67 113.67 1cc3 s ASP 93 Ca -0.06 0.85 0.02 0.00 0.43 0.00 0.00 52.55 53.79 1cc3 s ASP 93 Cb -0.04 0.80 -0.03 0.00 -0.30 0.00 0.00 42.92 43.35 1cc3 s ASP 93 CO 0.02 -0.17 -0.08 -0.44 -0.17 0.00 0.00 175.17 174.33 1cc3 s SER 94 N 0.80 4.52 -0.01 -0.34 0.01 -1.26 0.75 113.70 118.16 1cc3 s SER 94 Ca -0.05 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.12 1cc3 s SER 94 Cb -0.06 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.11 1cc3 s SER 94 CO -0.06 0.33 -0.06 0.54 0.41 0.00 0.00 173.24 174.40 1cc3 s VAL 95 N -0.87 0.48 -0.02 3.43 0.11 -0.74 -4.96 120.40 117.83 1cc3 s VAL 95 Ca 0.14 -0.22 0.05 0.00 -2.93 0.00 0.00 61.98 59.02 1cc3 s VAL 95 Cb -0.11 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 1cc3 s VAL 95 CO 0.04 0.16 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.92 1cc3 s THR 96 N 0.12 2.95 0.05 5.04 2.01 -1.26 -1.12 115.64 123.44 1cc3 s THR 96 Ca -0.01 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1cc3 s THR 96 Cb -0.05 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1cc3 s THR 96 CO -0.00 0.52 -0.01 0.72 -0.69 0.00 0.00 174.62 175.16 1cc3 s PHE 97 N -0.78 0.48 -0.03 4.92 -0.12 -0.29 -4.96 117.98 117.19 1cc3 s PHE 97 Ca 0.12 -1.00 -0.30 0.00 -0.05 0.00 0.00 56.93 55.70 1cc3 s PHE 97 Cb -0.11 -0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 1cc3 s PHE 97 CO 0.02 -0.39 1.01 -0.51 -0.05 0.00 0.00 175.22 175.31 1cc3 s ASP 98 N -2.85 7.29 0.53 1.98 1.01 -1.26 -0.85 116.67 122.52 1cc3 s ASP 98 Ca 0.06 1.65 0.31 0.00 0.71 0.00 0.00 52.55 55.28 1cc3 s ASP 98 Cb 0.07 -2.57 1.43 0.00 1.01 0.00 0.00 42.92 42.87 1cc3 s ASP 98 CO -0.10 -0.35 2.03 0.58 0.21 0.00 0.00 175.17 177.54 1cc3 h VAL 99 N 4.89 0.31 0.00 -1.27 2.07 -1.25 -1.85 116.25 119.15 1cc3 h VAL 99 Ca -0.37 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1cc3 h VAL 99 Cb 1.19 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1cc3 h VAL 99 CO 0.80 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 176.94 1cc3 n SER 100 N -3.34 0.21 0.07 0.57 3.41 -1.26 -0.62 113.62 112.66 1cc3 n SER 100 Ca -0.01 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1cc3 n SER 100 Cb 0.28 -0.61 0.47 0.00 -0.26 0.00 0.00 64.21 64.09 1cc3 n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cc3 n LYS 101 N -1.76 0.18 -3.65 4.33 5.02 -0.70 -4.86 118.16 116.72 1cc3 n LYS 101 Ca 0.01 0.15 -0.20 0.00 -2.02 0.00 0.00 58.31 56.24 1cc3 n LYS 101 Cb 0.07 -1.71 -0.02 0.00 -0.02 0.00 0.00 35.03 33.35 1cc3 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cc3 s LEU 102 N -4.04 3.86 0.13 -0.35 1.43 0.21 -5.10 118.68 114.82 1cc3 s LEU 102 Ca 0.12 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1cc3 s LEU 102 Cb 0.14 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1cc3 s LEU 102 CO 0.58 -0.36 -0.04 -1.59 0.23 0.00 0.00 176.35 175.16 1cc3 s LYS 103 N -4.08 0.96 0.54 1.70 -2.85 -1.26 -5.05 119.74 109.69 1cc3 s LYS 103 Ca 0.42 -1.42 -0.18 0.00 -1.00 0.00 0.00 55.97 53.79 1cc3 s LYS 103 Cb -0.08 -0.26 -0.06 0.00 -2.06 0.00 0.00 37.83 35.37 1cc3 s LYS 103 CO 0.29 -0.05 1.06 -1.21 0.10 0.00 0.00 175.35 175.54 1cc3 s GLU 104 N -3.86 3.53 0.00 1.78 2.02 -1.26 -3.69 118.70 117.22 1cc3 s GLU 104 Ca 0.17 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.50 1cc3 s GLU 104 Cb 0.05 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1cc3 s GLU 104 CO -0.01 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1cc3 n GLY 105 N -0.48 1.45 3.92 -1.39 0.00 -1.26 -5.03 105.19 102.41 1cc3 n GLY 105 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1cc3 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cc3 s GLU 106 N -0.28 3.53 -0.30 1.61 2.56 -1.24 -5.08 118.70 119.50 1cc3 s GLU 106 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.97 54.58 1cc3 s GLU 106 Cb 0.00 -2.85 -0.01 0.00 2.00 0.00 0.00 34.13 33.27 1cc3 s GLU 106 CO 0.00 0.42 0.15 -0.65 -0.56 0.00 0.00 175.26 174.62 1cc3 s GLN 107 N -3.16 3.43 0.11 4.30 -0.21 -1.26 -4.78 119.66 118.08 1cc3 s GLN 107 Ca 0.39 -0.66 0.04 0.00 0.02 0.00 0.00 55.36 55.15 1cc3 s GLN 107 Cb -0.11 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.30 1cc3 s GLN 107 CO 0.28 -0.37 0.07 0.71 -2.12 0.00 0.00 175.29 173.85 1cc3 s TYR 108 N 1.63 3.11 0.05 0.91 2.02 -1.02 0.10 117.35 124.15 1cc3 s TYR 108 Ca 0.05 0.02 0.07 0.00 -0.37 0.00 0.00 57.07 56.83 1cc3 s TYR 108 Cb -0.17 -1.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1cc3 s TYR 108 CO 0.07 0.51 -0.19 -1.64 -1.57 0.00 0.00 175.55 172.73 1cc3 s MET 109 N -2.56 1.26 0.11 -0.62 -1.94 0.17 -1.70 119.30 114.01 1cc3 s MET 109 Ca 0.29 -0.91 0.09 0.00 -1.71 0.00 0.00 55.69 53.45 1cc3 s MET 109 Cb -0.11 -1.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.33 1cc3 s MET 109 CO 0.21 0.34 -0.18 -0.59 -0.01 0.00 0.00 175.02 174.79 1cc3 s PHE 110 N -0.83 2.53 0.00 -0.03 -0.12 0.86 -1.53 117.98 118.86 1cc3 s PHE 110 Ca 0.06 -0.27 -0.28 0.00 -0.05 0.00 0.00 56.93 56.39 1cc3 s PHE 110 Cb -0.09 -1.35 0.10 0.00 -0.63 0.00 0.00 43.02 41.05 1cc3 s PHE 110 CO 0.02 0.38 0.84 -0.59 -0.05 0.00 0.00 175.22 175.81 1cc3 s PHE 111 N -1.13 -0.40 -0.21 3.49 -0.71 -0.05 -1.60 117.98 117.38 1cc3 s PHE 111 Ca 0.18 0.32 -0.25 0.00 -1.04 0.00 0.00 56.93 56.13 1cc3 s PHE 111 Cb -0.11 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 1cc3 s PHE 111 CO 0.10 -0.58 0.85 0.00 -1.34 0.00 0.00 175.22 174.25 1cc3 n SER 113 N 5.68 1.11 -4.56 0.00 3.41 -1.26 -4.84 113.62 113.16 1cc3 n SER 113 Ca 0.06 -1.09 -0.41 0.00 -0.26 0.00 0.00 58.87 57.17 1cc3 n SER 113 Cb 0.48 0.06 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 1cc3 n SER 113 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1cc3 s GLU 114 N -2.30 3.63 -0.35 4.33 2.56 -1.26 -4.60 118.70 120.72 1cc3 s GLU 114 Ca 0.31 -0.12 -0.40 0.00 0.00 0.00 0.00 54.97 54.76 1cc3 s GLU 114 Cb 0.20 -3.81 -0.15 0.00 2.00 0.00 0.00 34.13 32.37 1cc3 s GLU 114 CO 0.44 -0.66 1.94 1.28 -0.56 0.00 0.00 175.26 177.70 1cc3 n LEU 115 N 5.79 2.00 0.00 2.70 4.77 -1.26 -4.77 117.00 126.22 1cc3 n LEU 115 Ca -0.04 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1cc3 n LEU 115 Cb 0.49 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1cc3 n LEU 115 CO 0.46 -0.59 0.13 0.00 -1.33 0.00 0.00 177.39 176.06 1cc3 n GLY 117 N -0.03 0.95 0.36 0.00 0.00 -1.26 -4.72 105.19 100.49 1cc3 n GLY 117 Ca 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.16 1cc3 n GLY 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cc3 h ILE 118 N 0.00 0.98 -0.37 -0.61 2.10 -2.00 -2.06 117.51 115.55 1cc3 h ILE 118 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1cc3 h ILE 118 Cb 0.00 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.78 1cc3 h ILE 118 CO 0.00 0.16 0.00 0.59 -1.08 0.00 0.00 178.15 177.82 1cc3 n ASN 119 N -4.51 4.45 -0.33 2.19 3.02 -1.26 -4.57 115.26 114.24 1cc3 n ASN 119 Ca 0.14 -2.94 0.24 0.00 -0.03 0.00 0.00 54.58 51.99 1cc3 n ASN 119 Cb 0.29 -0.58 0.47 0.00 -0.61 0.00 0.00 39.78 39.36 1cc3 n ASN 119 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1cc3 h HIS 120 N 2.55 0.93 0.00 3.10 -0.00 -1.66 -0.93 115.15 119.14 1cc3 h HIS 120 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1cc3 h HIS 120 Cb 1.59 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 1cc3 h HIS 120 CO 0.68 -0.18 0.00 0.00 -0.00 0.00 0.00 177.93 178.43 1cc3 n ALA 121 N -2.29 2.09 0.99 5.26 0.00 -1.26 -2.91 120.51 122.38 1cc3 n ALA 121 Ca 0.32 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1cc3 n ALA 121 Cb 0.98 -1.44 0.18 0.00 0.00 0.00 0.00 19.45 19.17 1cc3 n ALA 121 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cc3 n LEU 122 N -2.18 0.60 -3.65 0.00 4.77 -0.36 -4.47 117.00 111.72 1cc3 n LEU 122 Ca 0.05 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 1cc3 n LEU 122 Cb 0.36 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1cc3 n LEU 122 CO 0.27 0.15 2.68 0.23 -1.33 0.00 0.00 177.39 179.38 1cc3 n MET 123 N -1.51 2.73 -3.78 3.23 2.81 -1.15 -4.80 117.12 114.66 1cc3 n MET 123 Ca 0.05 -2.41 -0.10 0.00 -1.81 0.00 0.00 57.70 53.43 1cc3 n MET 123 Cb 0.34 -3.16 -0.05 0.00 -0.71 0.00 0.00 33.22 29.64 1cc3 n MET 123 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1cc3 s LYS 124 N 3.35 1.25 0.21 0.03 -2.85 -1.26 -1.18 119.74 119.30 1cc3 s LYS 124 Ca 0.51 -0.92 -0.22 0.00 -1.00 0.00 0.00 55.97 54.34 1cc3 s LYS 124 Cb 0.14 0.47 0.06 0.00 -2.06 0.00 0.00 37.83 36.44 1cc3 s LYS 124 CO -0.05 -0.50 0.92 0.20 0.10 0.00 0.00 175.35 176.01 1cc3 s GLY 125 N -2.88 -0.04 0.35 0.59 0.00 -0.63 -4.73 107.32 99.97 1cc3 s GLY 125 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 1cc3 s GLY 125 CO -0.04 0.49 0.60 -0.51 0.00 0.00 0.00 173.10 173.64 1cc3 s THR 126 N -2.99 5.03 -0.01 0.90 -4.23 -0.87 -0.10 115.64 113.38 1cc3 s THR 126 Ca 0.15 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1cc3 s THR 126 Cb -0.03 -3.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.01 1cc3 s THR 126 CO 0.05 -0.50 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.34 1cc3 s LEU 127 N -4.04 1.96 -0.05 4.79 0.20 -0.69 -0.53 118.68 120.32 1cc3 s LEU 127 Ca 0.43 -0.12 -0.03 0.00 0.69 0.00 0.00 54.13 55.11 1cc3 s LEU 127 Cb -0.10 -0.35 0.03 0.00 -0.43 0.00 0.00 46.19 45.34 1cc3 s LEU 127 CO 0.35 0.07 0.12 -0.89 -0.29 0.00 0.00 176.35 175.71 1cc3 s THR 128 N -0.08 -0.04 -0.14 3.68 2.01 -0.44 -2.42 115.64 118.21 1cc3 s THR 128 Ca 0.02 0.14 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 1cc3 s THR 128 Cb -0.03 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1cc3 s THR 128 CO -0.00 0.06 0.59 -0.22 -0.69 0.00 0.00 174.62 174.36 1cc3 s LEU 129 N 0.89 4.23 0.00 4.42 2.96 -1.26 0.24 118.68 130.17 1cc3 s LEU 129 Ca -0.07 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 1cc3 s LEU 129 Cb -0.09 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 43.73 1cc3 s LEU 129 CO -0.04 -0.13 0.00 0.29 -1.32 0.00 0.00 176.35 175.14