#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nna s ILE 1 N 0.00 5.02 -0.04 5.18 1.01 -1.26 -5.05 121.20 126.06 2nna s ILE 1 Ca 0.00 1.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.70 2nna s ILE 1 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 2nna s ILE 1 CO 0.00 0.12 0.47 0.68 0.00 0.00 0.00 174.94 176.21 2nna s VAL 2 N 1.83 5.04 0.08 2.92 -7.23 -1.26 -5.06 120.40 116.73 2nna s VAL 2 Ca 0.30 0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 61.18 2nna s VAL 2 Cb -0.16 -3.80 0.08 0.00 0.56 0.00 0.00 36.38 33.07 2nna s VAL 2 CO 0.11 0.46 0.73 0.00 -0.31 0.00 0.00 175.10 176.09 2nna s ALA 3 N -0.34 -1.70 0.17 1.32 0.00 -1.26 -5.04 121.76 114.90 2nna s ALA 3 Ca 0.26 0.73 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 2nna s ALA 3 Cb -0.17 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.65 2nna s ALA 3 CO 0.13 -0.73 1.56 -0.44 0.00 0.00 0.00 175.76 176.28 2nna h ASP 4 N 2.00 1.00 -4.16 0.00 3.32 -2.09 -3.44 116.42 113.05 2nna h ASP 4 Ca -0.29 -0.38 -0.26 0.00 0.02 0.00 0.00 57.03 56.12 2nna h ASP 4 Cb 1.28 -0.27 -0.26 0.00 0.22 0.00 0.00 39.33 40.29 2nna h ASP 4 CO 0.35 1.17 -0.73 -1.00 -1.72 0.00 0.00 179.24 177.31 2nna s HIS 5 N -4.65 0.33 -0.06 4.55 3.76 -1.26 -5.08 115.29 112.88 2nna s HIS 5 Ca -0.11 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 54.63 2nna s HIS 5 Cb 0.12 -0.21 0.01 0.00 1.11 0.00 0.00 32.58 33.61 2nna s HIS 5 CO 0.87 -0.05 -0.14 0.08 -0.85 0.00 0.00 174.74 174.65 2nna s VAL 6 N -0.50 1.25 0.12 -0.90 1.01 -1.26 -5.01 120.40 115.11 2nna s VAL 6 Ca -0.03 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2nna s VAL 6 Cb -0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2nna s VAL 6 CO -0.00 0.38 -0.13 0.00 0.00 0.00 0.00 175.10 175.35 2nna s ALA 7 N 0.51 1.42 -0.32 5.51 0.00 -1.26 0.17 121.76 127.78 2nna s ALA 7 Ca -0.13 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.55 2nna s ALA 7 Cb -0.15 -0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.03 2nna s ALA 7 CO 0.04 0.05 0.06 -1.12 0.00 0.00 0.00 175.76 174.79 2nna s SER 8 N -2.55 4.43 -0.92 0.00 0.01 0.36 -4.97 113.70 110.06 2nna s SER 8 Ca 0.09 -1.90 -0.01 0.00 1.31 0.00 0.00 55.95 55.44 2nna s SER 8 Cb -0.04 -1.30 0.34 0.00 0.21 0.00 0.00 66.02 65.23 2nna s SER 8 CO 0.02 -0.39 1.92 -1.22 0.41 0.00 0.00 173.24 173.98 2nna n TYR 9 N 4.51 2.90 0.00 2.43 4.01 -1.26 -1.10 117.16 128.65 2nna n TYR 9 Ca 0.01 -2.46 0.00 0.00 -0.16 0.00 0.00 57.90 55.29 2nna n TYR 9 Cb 0.42 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.28 2nna n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nna n GLY 9 N -0.32 -1.10 3.53 2.72 0.00 -1.25 -5.04 105.19 103.72 2nna n GLY 9 Ca 0.50 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 46.38 2nna n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nna s VAL 10 N 0.00 3.94 -0.16 1.61 1.01 -0.52 -4.99 120.40 121.29 2nna s VAL 10 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2nna s VAL 10 Cb 0.00 -4.92 -0.04 0.00 0.00 0.00 0.00 36.38 31.42 2nna s VAL 10 CO 0.00 -1.80 0.06 0.20 0.00 0.00 0.00 175.10 173.56 2nna s ASN 11 N 4.09 5.68 -0.01 3.32 0.02 -1.26 -2.41 114.94 124.37 2nna s ASN 11 Ca 0.36 0.15 0.01 0.00 -1.02 0.00 0.00 52.86 52.37 2nna s ASN 11 Cb -0.07 -1.90 -0.00 0.00 0.02 0.00 0.00 41.25 39.31 2nna s ASN 11 CO 0.05 0.25 -0.05 -0.22 0.02 0.00 0.00 177.10 177.15 2nna s LEU 12 N -0.06 1.91 -0.14 0.60 2.96 0.00 -4.98 118.68 118.97 2nna s LEU 12 Ca 0.07 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.79 2nna s LEU 12 Cb -0.12 -0.27 0.05 0.00 0.50 0.00 0.00 46.19 46.34 2nna s LEU 12 CO 0.01 0.05 0.36 -0.47 -1.32 0.00 0.00 176.35 174.97 2nna s TYR 13 N 0.02 -0.48 0.02 5.38 5.04 -1.26 -0.66 117.35 125.41 2nna s TYR 13 Ca 0.00 1.08 0.01 0.00 -2.44 0.00 0.00 57.07 55.72 2nna s TYR 13 Cb -0.04 0.18 -0.02 0.00 0.35 0.00 0.00 41.96 42.44 2nna s TYR 13 CO -0.00 -0.27 -0.05 1.14 -1.34 0.00 0.00 175.55 175.02 2nna s GLN 14 N 1.02 0.39 0.27 4.97 -2.07 0.28 -4.99 119.66 119.52 2nna s GLN 14 Ca -0.07 -0.56 -0.03 0.00 -1.82 0.00 0.00 55.36 52.88 2nna s GLN 14 Cb -0.07 -0.15 0.34 0.00 -1.09 0.00 0.00 33.01 32.04 2nna s GLN 14 CO -0.08 0.02 1.85 0.66 -1.32 0.00 0.00 175.29 176.42 2nna h SER 15 N 4.90 0.92 -2.26 12.60 4.64 -1.97 -2.31 113.55 130.08 2nna h SER 15 Ca -0.32 -0.12 -0.58 0.00 -0.47 0.00 0.00 61.79 60.30 2nna h SER 15 Cb 1.20 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2nna h SER 15 CO 0.43 0.81 1.39 -0.47 -0.87 0.00 0.00 176.83 178.11 2nna s TYR 16 N -5.51 1.41 0.00 4.77 5.04 -1.26 -3.41 117.35 118.39 2nna s TYR 16 Ca -0.11 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 2nna s TYR 16 Cb 0.16 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.46 2nna s TYR 16 CO 0.81 -3.85 0.00 0.41 -1.34 0.00 0.00 175.55 171.58 2nna n GLY 17 N 5.49 1.84 3.78 8.97 0.00 -1.26 -3.32 105.19 120.69 2nna n GLY 17 Ca 0.26 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2nna n GLY 17 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2nna s PRO 18 N 0.00 1.18 0.02 1.61 0.02 -1.22 -5.20 135.00 131.41 2nna s PRO 18 Ca 0.00 0.34 -0.20 0.00 0.02 0.00 0.00 61.00 61.16 2nna s PRO 18 Cb 0.00 -1.84 0.04 0.00 0.02 0.00 0.00 34.50 32.72 2nna s PRO 18 CO 0.00 -2.18 0.44 -1.54 -0.33 0.00 0.00 177.00 173.39 2nna s SER 19 N -3.97 -0.34 0.29 2.53 1.04 -0.87 -5.02 113.70 107.36 2nna s SER 19 Ca 0.64 0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2nna s SER 19 Cb -0.15 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 2nna s SER 19 CO 0.54 -0.63 0.31 -0.83 0.98 0.00 0.00 173.24 173.61 2nna s GLY 20 N -1.78 1.69 -0.15 7.32 0.00 -1.26 -0.56 107.32 112.58 2nna s GLY 20 Ca -0.07 -1.71 -0.20 0.00 0.00 0.00 0.00 44.72 42.74 2nna s GLY 20 CO 0.00 -1.25 0.51 1.62 0.00 0.00 0.00 173.10 173.99 2nna s GLN 21 N -3.59 0.68 -0.04 2.90 0.74 0.17 -4.95 119.66 115.57 2nna s GLN 21 Ca 0.36 0.52 -0.01 0.00 0.05 0.00 0.00 55.36 56.28 2nna s GLN 21 Cb 0.03 0.33 0.03 0.00 1.10 0.00 0.00 33.01 34.49 2nna s GLN 21 CO 0.20 -0.13 0.03 -0.47 -0.55 0.00 0.00 175.29 174.37 2nna s TYR 22 N -0.18 0.20 0.15 1.67 5.04 -1.26 -0.82 117.35 122.16 2nna s TYR 22 Ca -0.04 0.10 -0.17 0.00 -2.44 0.00 0.00 57.07 54.52 2nna s TYR 22 Cb -0.03 -0.43 0.03 0.00 0.35 0.00 0.00 41.96 41.88 2nna s TYR 22 CO 0.03 -0.16 0.45 -1.54 -1.34 0.00 0.00 175.55 172.99 2nna s SER 23 N 1.52 -0.26 -0.03 4.32 1.04 -1.01 -1.00 113.70 118.26 2nna s SER 23 Ca -0.03 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.10 2nna s SER 23 Cb -0.13 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 2nna s SER 23 CO -0.03 -0.93 -0.23 -1.00 0.98 0.00 0.00 173.24 172.03 2nna s HIS 24 N -3.83 2.44 0.07 5.02 3.76 -0.67 -1.44 115.29 120.64 2nna s HIS 24 Ca 0.05 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.62 2nna s HIS 24 Cb 0.01 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 2nna s HIS 24 CO -0.09 -0.00 -0.16 -1.21 -0.85 0.00 0.00 174.74 172.43 2nna s GLU 25 N -0.58 0.96 -0.04 1.40 2.02 -0.26 -0.44 118.70 121.76 2nna s GLU 25 Ca 0.09 -0.97 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 2nna s GLU 25 Cb -0.11 -1.04 0.03 0.00 0.10 0.00 0.00 34.13 33.11 2nna s GLU 25 CO -0.00 0.24 0.01 0.12 0.02 0.00 0.00 175.26 175.65 2nna s PHE 26 N -1.13 0.38 -1.53 1.61 5.36 -0.26 -0.49 117.98 121.93 2nna s PHE 26 Ca 0.01 -0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 55.90 2nna s PHE 26 Cb -0.09 -0.53 0.06 0.00 -0.34 0.00 0.00 43.02 42.12 2nna s PHE 26 CO 0.03 -0.19 0.58 -0.25 -1.46 0.00 0.00 175.22 173.92 2nna n ASP 27 N 4.57 -1.67 0.00 6.13 8.00 0.13 -2.14 116.55 131.57 2nna n ASP 27 Ca -0.18 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.32 2nna n ASP 27 Cb 0.50 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 2nna n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nna n GLY 28 N -1.77 1.03 3.43 0.44 0.00 -1.26 -5.04 105.19 102.02 2nna n GLY 28 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 2nna n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nna s ASP 29 N -3.04 3.45 -0.26 1.61 1.01 -0.91 -5.03 116.67 113.51 2nna s ASP 29 Ca 0.00 -0.85 -0.25 0.00 0.71 0.00 0.00 52.55 52.16 2nna s ASP 29 Cb 0.00 -0.27 0.00 0.00 1.01 0.00 0.00 42.92 43.66 2nna s ASP 29 CO 0.00 0.13 0.87 -0.70 0.21 0.00 0.00 175.17 175.68 2nna s GLU 30 N -2.62 4.14 0.03 8.23 2.12 -1.26 -1.10 118.70 128.24 2nna s GLU 30 Ca 0.20 0.94 -0.17 0.00 0.36 0.00 0.00 54.97 56.31 2nna s GLU 30 Cb -0.08 -3.67 -0.30 0.00 0.26 0.00 0.00 34.13 30.34 2nna s GLU 30 CO 0.10 -0.60 1.06 0.93 -0.54 0.00 0.00 175.26 176.20 2nna h GLU 31 N 7.78 0.55 -2.17 4.30 5.08 -1.10 -3.41 114.58 125.62 2nna h GLU 31 Ca -0.22 -0.78 0.21 0.00 -1.00 0.00 0.00 59.36 57.56 2nna h GLU 31 Cb 1.09 0.27 -0.08 0.00 0.50 0.00 0.00 28.75 30.52 2nna h GLU 31 CO 0.91 1.35 0.57 -0.59 -1.00 0.00 0.00 179.01 180.25 2nna s PHE 32 N -2.86 -0.09 0.04 4.33 -0.12 -1.21 -0.66 117.98 117.40 2nna s PHE 32 Ca -0.10 -0.18 -0.04 0.00 -0.05 0.00 0.00 56.93 56.55 2nna s PHE 32 Cb 0.04 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 43.04 2nna s PHE 32 CO 0.91 -0.72 0.07 1.52 -0.05 0.00 0.00 175.22 176.96 2nna s TYR 33 N -3.01 0.24 -0.22 3.49 -0.85 -1.07 -1.67 117.35 114.26 2nna s TYR 33 Ca 0.14 -0.57 -0.07 0.00 -0.52 0.00 0.00 57.07 56.05 2nna s TYR 33 Cb -0.00 -0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2nna s TYR 33 CO 0.01 -0.35 0.07 0.08 -1.52 0.00 0.00 175.55 173.84 2nna s VAL 34 N -2.64 4.48 -0.38 -3.49 1.01 -0.17 -0.90 120.40 118.30 2nna s VAL 34 Ca -0.05 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2nna s VAL 34 Cb -0.01 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2nna s VAL 34 CO -0.05 0.38 1.45 -0.62 0.00 0.00 0.00 175.10 176.27 2nna s ASP 35 N 1.13 6.33 0.45 3.32 -1.08 0.12 -4.53 116.67 122.41 2nna s ASP 35 Ca 0.04 0.97 0.30 0.00 -0.52 0.00 0.00 52.55 53.35 2nna s ASP 35 Cb -0.14 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.00 2nna s ASP 35 CO 0.03 -1.41 1.89 -0.07 0.52 0.00 0.00 175.17 176.13 2nna h LEU 36 N 12.17 0.00 0.00 -1.34 3.38 -1.94 0.24 115.31 127.82 2nna h LEU 36 Ca -0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2nna h LEU 36 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2nna h LEU 36 CO 1.07 0.00 -0.39 -0.33 0.09 0.00 0.00 178.44 178.88 2nna h GLU 37 N 0.00 0.00 0.00 1.13 3.07 -1.97 -3.36 114.58 113.46 2nna h GLU 37 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2nna h GLU 37 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2nna h GLU 37 CO 0.00 0.38 0.00 0.54 -1.40 0.00 0.00 179.01 178.53 2nna n ARG 38 N -4.63 0.03 -3.59 2.33 1.74 -1.22 -4.91 116.66 106.40 2nna n ARG 38 Ca -0.10 0.13 -0.23 0.00 -0.77 0.00 0.00 57.85 56.88 2nna n ARG 38 Cb 0.30 -1.54 0.08 0.00 -1.02 0.00 0.00 32.46 30.28 2nna n ARG 38 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2nna n LYS 39 N -1.59 -7.32 -4.23 5.56 4.76 0.80 -5.01 118.16 111.13 2nna n LYS 39 Ca 0.05 0.81 -0.18 0.00 -2.87 0.00 0.00 58.31 56.12 2nna n LYS 39 Cb 0.28 -5.82 -0.11 0.00 -1.84 0.00 0.00 35.03 27.53 2nna n LYS 39 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2nna s GLU 40 N -6.09 1.00 -0.07 1.97 2.02 -1.02 -4.84 118.70 111.67 2nna s GLU 40 Ca 0.43 -1.20 -0.18 0.00 0.02 0.00 0.00 54.97 54.03 2nna s GLU 40 Cb -0.19 -0.90 -0.05 0.00 0.10 0.00 0.00 34.13 33.10 2nna s GLU 40 CO 0.74 0.17 0.49 0.99 0.02 0.00 0.00 175.26 177.67 2nna s THR 41 N -2.03 5.09 -0.32 3.63 2.01 -1.26 0.13 115.64 122.89 2nna s THR 41 Ca 0.08 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.09 2nna s THR 41 Cb -0.05 -3.82 0.09 0.00 0.01 0.00 0.00 72.50 68.73 2nna s THR 41 CO 0.03 0.40 0.04 -0.69 -0.69 0.00 0.00 174.62 173.71 2nna s VAL 42 N 0.09 1.96 0.38 3.82 1.01 -0.08 -4.95 120.40 122.63 2nna s VAL 42 Ca 0.26 -2.03 -0.25 0.00 0.00 0.00 0.00 61.98 59.96 2nna s VAL 42 Cb -0.16 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 2nna s VAL 42 CO 0.12 -0.53 1.06 0.26 0.00 0.00 0.00 175.10 176.01 2nna s TRP 43 N 1.09 3.30 -2.28 5.22 0.52 -1.26 -2.59 118.94 122.94 2nna s TRP 43 Ca 0.08 1.65 0.27 0.00 0.02 0.00 0.00 56.10 58.12 2nna s TRP 43 Cb -0.19 -3.15 0.79 0.00 -1.15 0.00 0.00 33.47 29.77 2nna s TRP 43 CO -0.11 -0.63 1.59 1.04 0.02 0.00 0.00 176.95 178.87 2nna n GLN 44 N 0.10 1.44 -4.09 4.98 1.13 0.16 -4.87 117.38 116.22 2nna n GLN 44 Ca 0.04 -0.92 -0.15 0.00 -1.94 0.00 0.00 57.00 54.03 2nna n GLN 44 Cb 0.49 -1.48 -0.14 0.00 0.11 0.00 0.00 30.24 29.21 2nna n GLN 44 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2nna s LEU 45 N -2.19 1.95 0.28 1.08 1.43 -1.26 -5.04 118.68 114.92 2nna s LEU 45 Ca 0.31 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2nna s LEU 45 Cb 0.20 -0.22 0.59 0.00 0.03 0.00 0.00 46.19 46.79 2nna s LEU 45 CO 0.41 0.04 1.80 -0.65 0.23 0.00 0.00 176.35 178.18 2nna h PRO 46 N 6.14 0.80 -0.43 1.29 0.11 -1.99 -1.08 132.00 136.84 2nna h PRO 46 Ca -0.28 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.83 2nna h PRO 46 Cb 1.19 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.07 2nna h PRO 46 CO 0.50 0.53 0.15 1.25 -0.21 0.00 0.00 178.00 180.22 2nna h LEU 47 N 0.82 0.16 -0.07 2.35 5.85 -1.99 -0.71 115.31 121.73 2nna h LEU 47 Ca 0.51 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.26 2nna h LEU 47 Cb 0.64 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2nna h LEU 47 CO -0.32 0.13 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.64 2nna h PHE 48 N 0.32 0.14 -0.43 1.25 0.04 -1.64 -1.22 116.94 115.40 2nna h PHE 48 Ca 0.20 -0.03 0.13 0.00 2.80 0.00 0.00 57.97 61.07 2nna h PHE 48 Cb 0.18 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 2nna h PHE 48 CO -0.15 0.41 0.34 -0.09 -0.60 0.00 0.00 178.31 178.22 2nna h ARG 49 N -0.17 0.00 0.11 1.51 2.43 -1.06 0.23 114.38 117.43 2nna h ARG 49 Ca 0.02 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.86 2nna h ARG 49 Cb 0.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2nna h ARG 49 CO 0.00 0.00 -1.71 -0.09 -1.51 0.00 0.00 179.97 176.66 2nna h ARG 50 N 0.00 0.23 0.00 0.20 1.12 -0.85 -3.42 114.38 111.66 2nna h ARG 50 Ca 0.21 -0.40 0.00 0.00 -1.11 0.00 0.00 59.98 58.68 2nna h ARG 50 Cb 0.88 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 2nna h ARG 50 CO -0.00 1.07 -0.99 1.19 -3.11 0.00 0.00 179.97 178.13 2nna n PHE 51 N -3.41 0.00 -4.45 2.20 3.72 -0.48 -5.06 117.46 109.98 2nna n PHE 51 Ca -0.22 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.96 2nna n PHE 51 Cb 1.05 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 39.37 2nna n PHE 51 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2nna s ARG 52 N -2.31 1.60 0.02 -1.08 1.70 0.76 -5.06 118.95 114.58 2nna s ARG 52 Ca -0.00 -1.79 -0.08 0.00 -0.47 0.00 0.00 55.73 53.38 2nna s ARG 52 Cb 0.06 -1.36 0.00 0.00 -0.57 0.00 0.00 34.95 33.08 2nna s ARG 52 CO 0.39 0.12 0.16 -0.98 -1.08 0.00 0.00 175.30 173.91 2nna s ARG 53 N -3.66 0.58 -0.03 3.89 1.70 -1.26 -4.66 118.95 115.51 2nna s ARG 53 Ca 0.29 -0.53 -0.01 0.00 -0.47 0.00 0.00 55.73 55.02 2nna s ARG 53 Cb 0.02 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.66 2nna s ARG 53 CO 0.13 -0.15 0.06 0.12 -1.08 0.00 0.00 175.30 174.38 2nna s PHE 54 N -1.98 -0.04 -0.47 5.89 5.36 -1.26 -5.11 117.98 120.36 2nna s PHE 54 Ca -0.10 0.22 -0.28 0.00 -0.96 0.00 0.00 56.93 55.81 2nna s PHE 54 Cb -0.04 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 2nna s PHE 54 CO -0.01 -0.10 1.51 0.34 -1.46 0.00 0.00 175.22 175.50 2nna s ASP 55 N 0.88 6.09 0.46 6.13 -1.08 -1.26 -4.76 116.67 123.13 2nna s ASP 55 Ca -0.07 0.65 0.23 0.00 -0.52 0.00 0.00 52.55 52.84 2nna s ASP 55 Cb -0.10 -2.54 1.23 0.00 -1.46 0.00 0.00 42.92 40.05 2nna s ASP 55 CO -0.03 -1.66 1.85 -0.65 0.52 0.00 0.00 175.17 175.20 2nna h PRO 56 N 11.55 0.26 -0.69 4.34 0.11 -1.94 -1.56 132.00 144.06 2nna h PRO 56 Ca -0.28 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.89 2nna h PRO 56 Cb 1.11 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 2nna h PRO 56 CO 1.12 0.17 0.46 0.37 -0.21 0.00 0.00 178.00 179.91 2nna h GLN 57 N 0.26 0.65 -0.65 1.05 5.75 -1.91 -0.52 115.11 119.75 2nna h GLN 57 Ca 0.48 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.93 2nna h GLN 57 Cb 1.43 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.80 2nna h GLN 57 CO -0.14 0.43 0.36 0.74 -2.65 0.00 0.00 178.83 177.57 2nna h PHE 58 N 0.67 0.86 -0.02 3.99 0.04 -1.69 0.40 116.94 121.19 2nna h PHE 58 Ca 0.31 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 2nna h PHE 58 Cb 0.33 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 2nna h PHE 58 CO -0.00 0.60 -0.01 0.00 -0.60 0.00 0.00 178.31 178.29 2nna h ALA 59 N 1.50 0.03 -0.90 2.45 0.00 -1.25 -1.62 119.26 119.48 2nna h ALA 59 Ca 0.23 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2nna h ALA 59 Cb 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2nna h ALA 59 CO -0.04 -0.23 0.58 -0.07 0.00 0.00 0.00 179.25 179.49 2nna h LEU 60 N -0.38 0.97 -0.47 0.00 3.38 -1.02 -1.14 115.31 116.66 2nna h LEU 60 Ca 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2nna h LEU 60 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2nna h LEU 60 CO 0.00 0.67 -0.17 0.74 0.09 0.00 0.00 178.44 179.78 2nna h THR 61 N 1.14 1.27 -0.48 0.22 2.02 -0.94 -2.81 112.91 113.33 2nna h THR 61 Ca 0.35 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2nna h THR 61 Cb -0.02 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2nna h THR 61 CO -0.11 0.45 0.30 0.78 0.37 0.00 0.00 175.52 177.31 2nna h ASN 62 N 0.80 0.56 -0.73 4.18 4.21 -0.67 -2.77 115.58 121.15 2nna h ASN 62 Ca 0.11 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 2nna h ASN 62 Cb 0.73 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.76 2nna h ASN 62 CO 0.06 0.43 0.43 0.40 -1.29 0.00 0.00 177.43 177.46 2nna h ILE 63 N 0.64 1.21 -0.11 2.81 1.08 -1.15 -0.25 117.51 121.74 2nna h ILE 63 Ca 0.17 -0.50 -0.05 0.00 -0.39 0.00 0.00 64.86 64.10 2nna h ILE 63 Cb -0.04 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.89 2nna h ILE 63 CO -0.03 0.23 -0.16 0.00 -0.69 0.00 0.00 178.15 177.50 2nna h ALA 64 N 1.44 1.54 -0.14 1.87 0.00 -1.27 -0.54 119.26 122.16 2nna h ALA 64 Ca 0.27 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 2nna h ALA 64 Cb -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2nna h ALA 64 CO -0.05 0.33 -0.75 0.28 0.00 0.00 0.00 179.25 179.07 2nna h VAL 65 N 0.16 1.29 -0.71 0.00 2.07 -0.90 -2.22 116.25 115.93 2nna h VAL 65 Ca 0.03 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.57 2nna h VAL 65 Cb 0.38 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2nna h VAL 65 CO 0.02 0.62 0.34 -0.07 0.02 0.00 0.00 177.57 178.50 2nna h LEU 66 N 0.48 0.92 -0.29 2.57 3.38 -0.46 0.37 115.31 122.29 2nna h LEU 66 Ca -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2nna h LEU 66 Cb 1.38 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2nna h LEU 66 CO 0.15 0.78 0.14 0.50 0.09 0.00 0.00 178.44 180.11 2nna h LYS 67 N 1.01 0.41 -0.47 1.13 3.64 -1.06 0.18 116.57 121.41 2nna h LYS 67 Ca 0.25 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2nna h LYS 67 Cb 0.11 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2nna h LYS 67 CO -0.03 0.38 0.28 1.25 -2.27 0.00 0.00 179.45 179.06 2nna h HIS 68 N 0.33 0.52 -0.46 1.91 2.76 -0.92 -2.75 115.15 116.55 2nna h HIS 68 Ca 0.10 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 2nna h HIS 68 Cb 0.10 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2nna h HIS 68 CO -0.02 0.31 0.06 -0.91 -1.30 0.00 0.00 177.93 176.06 2nna h ASN 69 N 0.56 0.74 -0.08 3.26 4.21 -0.61 -3.18 115.58 120.49 2nna h ASN 69 Ca 0.19 -0.27 0.04 0.00 1.21 0.00 0.00 56.30 57.46 2nna h ASN 69 Cb 0.01 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 36.97 2nna h ASN 69 CO -0.08 0.82 -0.17 0.25 -1.29 0.00 0.00 177.43 176.96 2nna h LEU 70 N 0.63 -0.51 -1.67 1.61 5.85 -0.44 -1.41 115.31 119.38 2nna h LEU 70 Ca 0.14 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.00 2nna h LEU 70 Cb 0.40 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2nna h LEU 70 CO 0.01 -0.22 0.32 0.78 -0.34 0.00 0.00 178.44 178.99 2nna h ASN 71 N -0.24 0.36 0.03 1.25 -0.26 -1.54 0.17 115.58 115.35 2nna h ASN 71 Ca 0.08 -0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.58 2nna h ASN 71 Cb 0.35 -0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.54 2nna h ASN 71 CO -0.21 0.24 -0.91 0.40 -1.06 0.00 0.00 177.43 175.88 2nna h ILE 72 N 0.41 1.31 0.00 2.81 2.04 -1.42 -3.13 117.51 119.52 2nna h ILE 72 Ca 0.20 -2.18 -0.14 0.00 1.00 0.00 0.00 64.86 63.75 2nna h ILE 72 Cb 0.29 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2nna h ILE 72 CO -0.05 0.67 -0.65 0.58 0.00 0.00 0.00 178.15 178.70 2nna h VAL 73 N 0.41 1.25 -0.94 1.67 2.07 -0.50 -1.94 116.25 118.27 2nna h VAL 73 Ca -0.09 -2.40 0.02 0.00 0.82 0.00 0.00 66.70 65.05 2nna h VAL 73 Cb 1.55 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 33.64 2nna h VAL 73 CO 0.18 0.64 0.62 0.40 0.02 0.00 0.00 177.57 179.42 2nna h ILE 74 N 0.00 1.20 -0.09 4.57 2.04 -0.72 -0.87 117.51 123.64 2nna h ILE 74 Ca -0.01 -0.42 -0.24 0.00 1.00 0.00 0.00 64.86 65.20 2nna h ILE 74 Cb 1.33 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2nna h ILE 74 CO 0.08 0.22 -0.86 0.11 0.00 0.00 0.00 178.15 177.71 2nna h LYS 75 N 1.23 0.74 0.00 2.37 1.57 -1.47 0.43 116.57 121.44 2nna h LYS 75 Ca 0.36 -0.68 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 2nna h LYS 75 Cb -0.07 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2nna h LYS 75 CO -0.10 1.27 -0.07 -0.09 -0.57 0.00 0.00 179.45 179.89 2nna h ARG 76 N 0.45 0.00 -0.67 3.15 2.43 -0.94 -2.06 114.38 116.74 2nna h ARG 76 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2nna h ARG 76 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2nna h ARG 76 CO 0.17 0.07 0.00 -1.13 -1.51 0.00 0.00 179.97 177.58 2nna n SER 77 N -3.41 3.83 -3.66 -3.80 3.41 -0.37 -4.95 113.62 104.67 2nna n SER 77 Ca -0.01 -2.00 -0.24 0.00 -0.26 0.00 0.00 58.87 56.36 2nna n SER 77 Cb 0.22 -0.45 0.06 0.00 -0.26 0.00 0.00 64.21 63.79 2nna n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2nna n ASN 78 N 1.54 -4.03 -3.61 4.04 3.02 -0.78 -2.95 115.26 112.50 2nna n ASN 78 Ca 0.23 -0.67 -0.22 0.00 -0.03 0.00 0.00 54.58 53.89 2nna n ASN 78 Cb 0.60 -4.57 0.06 0.00 -0.61 0.00 0.00 39.78 35.27 2nna n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2nna n SER 79 N -3.00 -3.24 -4.62 6.41 7.64 0.15 -4.93 113.62 112.02 2nna n SER 79 Ca -0.11 -0.67 -0.43 0.00 1.01 0.00 0.00 58.87 58.67 2nna n SER 79 Cb 0.60 -4.67 -0.02 0.00 -1.01 0.00 0.00 64.21 59.11 2nna n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2nna s THR 80 N -3.42 4.15 0.52 0.44 2.01 -1.15 -5.00 115.64 113.19 2nna s THR 80 Ca 0.23 1.24 -0.09 0.00 0.31 0.00 0.00 61.69 63.38 2nna s THR 80 Cb -0.11 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2nna s THR 80 CO 0.76 -0.68 0.89 0.00 -0.69 0.00 0.00 174.62 174.91 2nna s ALA 81 N 4.57 3.25 0.52 7.40 0.00 -1.26 -5.03 121.76 131.21 2nna s ALA 81 Ca 0.54 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.05 2nna s ALA 81 Cb -0.13 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.09 2nna s ALA 81 CO 0.27 -0.39 1.38 0.00 0.00 0.00 0.00 175.76 177.01 2nna s ALA 82 N -2.81 2.92 -0.20 0.00 0.00 -1.26 -5.00 121.76 115.41 2nna s ALA 82 Ca 0.52 1.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.78 2nna s ALA 82 Cb -0.10 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2nna s ALA 82 CO 0.44 -1.35 0.08 0.99 0.00 0.00 0.00 175.76 175.92 2nna s THR 83 N -1.27 4.81 0.23 0.00 2.01 -1.26 -5.00 115.64 115.16 2nna s THR 83 Ca 0.69 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2nna s THR 83 Cb -0.42 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 2nna s THR 83 CO 0.50 0.42 1.41 0.20 -0.69 0.00 0.00 174.62 176.47 2nna s ASN 84 N 0.68 6.71 0.22 3.53 0.01 -1.26 -4.47 114.94 120.36 2nna s ASN 84 Ca 0.04 2.59 0.04 0.00 -0.71 0.00 0.00 52.86 54.83 2nna s ASN 84 Cb -0.13 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 2nna s ASN 84 CO 0.02 -0.66 0.35 -1.61 -1.51 0.00 0.00 177.10 173.68 2nna s GLU 85 N -0.20 3.44 -0.25 -0.60 0.41 0.10 -4.89 118.70 116.71 2nna s GLU 85 Ca 0.59 -0.70 -0.19 0.00 -0.41 0.00 0.00 54.97 54.26 2nna s GLU 85 Cb -0.41 -2.90 -0.02 0.00 -1.78 0.00 0.00 34.13 29.02 2nna s GLU 85 CO 0.41 0.44 0.56 0.08 -0.49 0.00 0.00 175.26 176.27 2nna s VAL 86 N -1.94 5.04 0.61 2.63 1.01 -1.26 -4.23 120.40 122.26 2nna s VAL 86 Ca 0.34 1.00 -0.09 0.00 0.00 0.00 0.00 61.98 63.23 2nna s VAL 86 Cb -0.10 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2nna s VAL 86 CO 0.29 0.07 0.97 -2.16 0.00 0.00 0.00 175.10 174.28 2nna s PRO 87 N 2.32 3.21 -0.05 2.72 0.04 -1.25 -4.85 135.00 137.15 2nna s PRO 87 Ca 0.24 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.70 2nna s PRO 87 Cb -0.16 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 2nna s PRO 87 CO 0.09 -0.67 -0.16 -1.83 0.04 0.00 0.00 177.00 174.47 2nna s GLU 88 N -5.11 1.74 0.01 4.56 -1.05 -0.69 -4.98 118.70 113.18 2nna s GLU 88 Ca 0.54 -0.57 0.05 0.00 -0.15 0.00 0.00 54.97 54.84 2nna s GLU 88 Cb -0.11 -1.50 -0.03 0.00 -0.44 0.00 0.00 34.13 32.05 2nna s GLU 88 CO 0.50 0.21 -0.13 0.08 0.95 0.00 0.00 175.26 176.86 2nna s VAL 89 N 0.12 3.13 -0.04 1.83 1.01 -1.26 -0.34 120.40 124.85 2nna s VAL 89 Ca -0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2nna s VAL 89 Cb -0.12 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2nna s VAL 89 CO 0.02 0.40 0.09 -0.89 0.00 0.00 0.00 175.10 174.73 2nna s THR 90 N -0.92 -0.02 -0.05 3.92 2.01 -0.30 -5.00 115.64 115.29 2nna s THR 90 Ca 0.15 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.26 2nna s THR 90 Cb -0.11 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 2nna s THR 90 CO 0.05 0.03 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.13 2nna s VAL 91 N 0.43 1.56 0.13 3.82 1.01 -1.26 -0.14 120.40 125.96 2nna s VAL 91 Ca -0.03 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 2nna s VAL 91 Cb -0.05 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 35.05 2nna s VAL 91 CO -0.02 0.45 0.54 0.72 0.00 0.00 0.00 175.10 176.79 2nna s PHE 92 N 0.04 -0.44 0.32 5.22 -0.12 -0.40 -4.98 117.98 117.63 2nna s PHE 92 Ca -0.05 0.24 -0.11 0.00 -0.05 0.00 0.00 56.93 56.96 2nna s PHE 92 Cb -0.12 0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 42.64 2nna s PHE 92 CO 0.03 -0.78 0.68 -1.54 -0.05 0.00 0.00 175.22 173.56 2nna s SER 93 N -2.65 6.62 0.16 1.98 1.04 -1.26 0.38 113.70 119.96 2nna s SER 93 Ca 0.01 1.08 -0.10 0.00 0.48 0.00 0.00 55.95 57.41 2nna s SER 93 Cb -0.00 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.84 2nna s SER 93 CO -0.11 -0.24 1.56 0.50 0.98 0.00 0.00 173.24 175.93 2nna h LYS 94 N 1.93 0.99 -5.01 4.02 3.64 -1.19 -3.46 116.57 117.49 2nna h LYS 94 Ca -0.47 -0.40 -0.38 0.00 -1.27 0.00 0.00 60.65 58.12 2nna h LYS 94 Cb 1.18 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.81 2nna h LYS 94 CO 0.66 1.08 -0.62 -1.54 -2.27 0.00 0.00 179.45 176.76 2nna s SER 95 N -6.66 1.62 0.52 4.20 1.04 -1.26 -5.05 113.70 108.10 2nna s SER 95 Ca -0.12 -1.34 -0.21 0.00 0.48 0.00 0.00 55.95 54.75 2nna s SER 95 Cb 0.12 0.07 -0.07 0.00 0.10 0.00 0.00 66.02 66.24 2nna s SER 95 CO 0.86 -0.65 1.08 -2.65 0.98 0.00 0.00 173.24 172.86 2nna n PRO 96 N -0.51 1.29 -3.13 4.02 -0.02 -1.26 -4.93 135.00 130.47 2nna n PRO 96 Ca -0.02 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2nna n PRO 96 Cb 0.66 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 2nna n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nna s VAL 97 N -1.37 4.91 -0.20 -1.45 1.01 -1.26 -5.02 120.40 117.02 2nna s VAL 97 Ca 0.70 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.25 2nna s VAL 97 Cb -0.47 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 31.91 2nna s VAL 97 CO 0.52 -0.29 -0.07 0.42 0.00 0.00 0.00 175.10 175.68 2nna s THR 98 N 2.66 1.40 0.03 3.92 -4.23 -1.26 -5.10 115.64 113.06 2nna s THR 98 Ca 0.24 -0.92 -0.39 0.00 -1.18 0.00 0.00 61.69 59.44 2nna s THR 98 Cb -0.15 -1.57 -0.19 0.00 1.34 0.00 0.00 72.50 71.94 2nna s THR 98 CO 0.14 0.07 1.19 0.18 -0.54 0.00 0.00 174.62 175.67 2nna n LEU 99 N 4.76 0.69 0.00 4.79 4.77 -1.26 -1.07 117.00 129.68 2nna n LEU 99 Ca -0.13 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2nna n LEU 99 Cb 0.46 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2nna n LEU 99 CO 0.18 -1.54 0.00 0.61 -1.33 0.00 0.00 177.39 175.31 2nna n GLY 100 N 1.95 3.13 3.67 -0.72 0.00 -0.29 -4.97 105.19 107.94 2nna n GLY 100 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2nna n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2nna s GLN 101 N -0.39 4.20 0.08 1.61 0.74 -0.23 -4.83 119.66 120.84 2nna s GLN 101 Ca 0.00 0.44 -0.37 0.00 0.05 0.00 0.00 55.36 55.48 2nna s GLN 101 Cb 0.00 -3.55 -0.18 0.00 1.10 0.00 0.00 33.01 30.38 2nna s GLN 101 CO 0.00 -0.14 1.17 -2.30 -0.55 0.00 0.00 175.29 173.47 2nna n PRO 102 N 4.73 0.68 -4.02 1.67 -0.02 -1.26 -4.14 135.00 132.64 2nna n PRO 102 Ca -0.05 0.24 -0.17 0.00 -2.02 0.00 0.00 63.50 61.51 2nna n PRO 102 Cb 0.50 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 2nna n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2nna n ASN 103 N 2.04 -0.94 -3.74 2.55 2.85 0.26 -4.99 115.26 113.28 2nna n ASN 103 Ca 0.18 -2.97 -0.16 0.00 -0.11 0.00 0.00 54.58 51.53 2nna n ASN 103 Cb 0.17 1.95 -0.16 0.00 1.24 0.00 0.00 39.78 42.97 2nna n ASN 103 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2nna s THR 104 N -3.08 -0.08 0.03 -0.44 2.01 -1.26 -0.87 115.64 111.95 2nna s THR 104 Ca 0.34 0.25 -0.20 0.00 0.31 0.00 0.00 61.69 62.39 2nna s THR 104 Cb 0.01 -0.14 -0.06 0.00 0.01 0.00 0.00 72.50 72.32 2nna s THR 104 CO 0.24 0.10 0.59 -0.76 -0.69 0.00 0.00 174.62 174.10 2nna s LEU 105 N 1.34 4.46 -0.11 4.42 1.43 -0.20 -0.55 118.68 129.46 2nna s LEU 105 Ca -0.06 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 2nna s LEU 105 Cb -0.12 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 2nna s LEU 105 CO -0.04 0.17 -0.18 -0.63 0.23 0.00 0.00 176.35 175.90 2nna s ILE 106 N -0.54 2.64 -0.31 -0.59 1.01 0.16 -1.34 121.20 122.23 2nna s ILE 106 Ca 0.30 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2nna s ILE 106 Cb -0.19 -2.07 0.07 0.00 0.01 0.00 0.00 42.46 40.29 2nna s ILE 106 CO 0.18 0.54 -0.00 0.00 0.00 0.00 0.00 174.94 175.66 2nna s LEU 108 N 1.12 4.09 -0.34 0.00 2.96 0.80 -1.34 118.68 125.97 2nna s LEU 108 Ca -0.02 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.57 2nna s LEU 108 Cb -0.20 -2.81 0.07 0.00 0.50 0.00 0.00 46.19 43.75 2nna s LEU 108 CO -0.04 -0.31 0.07 -0.69 -1.32 0.00 0.00 176.35 174.06 2nna s VAL 109 N 2.23 3.10 0.38 1.68 1.01 0.18 -1.15 120.40 127.83 2nna s VAL 109 Ca 0.25 -1.60 0.07 0.00 0.00 0.00 0.00 61.98 60.71 2nna s VAL 109 Cb -0.16 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 2nna s VAL 109 CO 0.09 -0.30 0.44 -0.62 0.00 0.00 0.00 175.10 174.71 2nna s ASP 110 N 1.41 5.51 -1.35 3.32 -1.08 0.54 -0.79 116.67 124.22 2nna s ASP 110 Ca -0.00 -0.46 -0.02 0.00 -0.52 0.00 0.00 52.55 51.55 2nna s ASP 110 Cb -0.21 -0.84 -0.00 0.00 -1.46 0.00 0.00 42.92 40.41 2nna s ASP 110 CO -0.02 -0.57 0.53 -3.20 0.52 0.00 0.00 175.17 172.43 2nna n ASN 111 N -1.62 -1.01 -4.65 -0.34 4.05 -1.08 -1.71 115.26 108.90 2nna n ASN 111 Ca 0.03 -0.96 -0.40 0.00 0.45 0.00 0.00 54.58 53.70 2nna n ASN 111 Cb 0.60 -3.37 -0.06 0.00 1.23 0.00 0.00 39.78 38.18 2nna n ASN 111 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2nna s ILE 112 N -3.83 5.05 -0.29 -1.44 1.01 0.15 -3.86 121.20 117.98 2nna s ILE 112 Ca 0.05 1.07 -0.16 0.00 0.00 0.00 0.00 60.65 61.60 2nna s ILE 112 Cb -0.02 -3.90 0.15 0.00 0.01 0.00 0.00 42.46 38.71 2nna s ILE 112 CO 0.86 0.11 0.98 0.12 0.00 0.00 0.00 174.94 177.02 2nna s PHE 113 N 1.97 -0.57 1.00 3.97 5.36 -1.26 -0.55 117.98 127.90 2nna s PHE 113 Ca 0.26 1.12 -0.12 0.00 -0.96 0.00 0.00 56.93 57.23 2nna s PHE 113 Cb -0.16 0.34 0.19 0.00 -0.34 0.00 0.00 43.02 43.05 2nna s PHE 113 CO 0.10 -0.28 1.08 -1.25 -1.46 0.00 0.00 175.22 173.40 2nna s PRO 114 N 1.41 0.39 -1.22 10.12 0.04 -1.26 0.02 135.00 144.50 2nna s PRO 114 Ca -0.09 0.88 -0.18 0.00 0.04 0.00 0.00 61.00 61.65 2nna s PRO 114 Cb -0.04 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 2nna s PRO 114 CO -0.15 -2.85 2.00 -0.35 0.04 0.00 0.00 177.00 175.69 2nna n PRO 115 N -4.31 2.45 -3.67 0.56 -0.04 -1.26 -4.77 135.00 123.96 2nna n PRO 115 Ca 0.06 -2.57 -0.11 0.00 -0.04 0.00 0.00 63.50 60.84 2nna n PRO 115 Cb 0.55 -3.31 -0.12 0.00 -0.04 0.00 0.00 33.50 30.58 2nna n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nna s VAL 116 N 4.89 -0.45 0.02 0.52 1.01 -1.26 -5.12 120.40 120.01 2nna s VAL 116 Ca 0.54 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 2nna s VAL 116 Cb 0.10 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 36.03 2nna s VAL 116 CO 0.03 0.09 0.77 0.54 0.00 0.00 0.00 175.10 176.53 2nna s VAL 117 N 2.34 0.00 -0.18 2.92 0.11 -1.26 -4.71 120.40 119.62 2nna s VAL 117 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2nna s VAL 117 Cb -0.12 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 2nna s VAL 117 CO -0.10 0.00 -0.17 0.20 -3.33 0.00 0.00 175.10 171.69 2nna s ASN 118 N -2.14 3.38 -0.22 3.54 0.01 -0.59 -4.99 114.94 113.93 2nna s ASN 118 Ca -0.00 -0.59 0.02 0.00 -0.71 0.00 0.00 52.86 51.58 2nna s ASN 118 Cb -0.01 -1.53 0.05 0.00 0.41 0.00 0.00 41.25 40.17 2nna s ASN 118 CO -0.05 0.01 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.80 2nna s ILE 119 N 1.24 1.91 0.21 0.60 1.01 -1.26 -1.06 121.20 123.85 2nna s ILE 119 Ca 0.03 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.48 2nna s ILE 119 Cb -0.14 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 2nna s ILE 119 CO -0.09 0.15 -0.03 0.42 0.00 0.00 0.00 174.94 175.38 2nna s THR 120 N 1.27 1.12 0.08 2.92 -4.23 -0.30 -4.98 115.64 111.51 2nna s THR 120 Ca -0.03 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.50 2nna s THR 120 Cb -0.17 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 2nna s THR 120 CO -0.08 -0.43 -0.14 0.26 -0.54 0.00 0.00 174.62 173.70 2nna s TRP 121 N -3.36 2.66 -0.03 3.99 0.52 -1.26 0.05 118.94 121.51 2nna s TRP 121 Ca 0.25 -0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.23 2nna s TRP 121 Cb 0.05 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2nna s TRP 121 CO 0.07 0.36 -0.17 -0.51 0.02 0.00 0.00 176.95 176.72 2nna s LEU 122 N -1.88 1.98 -0.17 2.99 1.43 0.40 -2.06 118.68 121.36 2nna s LEU 122 Ca 0.18 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2nna s LEU 122 Cb -0.11 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.21 2nna s LEU 122 CO 0.10 0.19 -0.17 -0.55 0.23 0.00 0.00 176.35 176.14 2nna s SER 123 N -0.20 3.02 -1.38 2.29 0.15 0.18 -1.02 113.70 116.73 2nna s SER 123 Ca 0.02 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 2nna s SER 123 Cb -0.09 -1.36 0.01 0.00 -1.71 0.00 0.00 66.02 62.88 2nna s SER 123 CO 0.01 -0.03 0.19 0.59 1.20 0.00 0.00 173.24 175.19 2nna n ASN 124 N 4.67 -4.82 0.00 5.45 5.03 0.28 -1.10 115.26 124.77 2nna n ASN 124 Ca -0.19 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.22 2nna n ASN 124 Cb 0.50 -4.01 0.00 0.00 -1.02 0.00 0.00 39.78 35.24 2nna n ASN 124 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2nna n GLY 125 N -1.05 2.00 3.75 7.41 0.00 -1.26 -5.05 105.19 110.99 2nna n GLY 125 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2nna n GLY 125 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2nna s HIS 126 N -2.33 2.99 0.61 1.61 -3.43 -0.26 -5.00 115.29 109.49 2nna s HIS 126 Ca 0.00 -0.10 -0.19 0.00 -0.80 0.00 0.00 55.06 53.97 2nna s HIS 126 Cb 0.00 -1.40 -0.03 0.00 -1.43 0.00 0.00 32.58 29.72 2nna s HIS 126 CO 0.00 0.53 1.26 -1.12 -2.00 0.00 0.00 174.74 173.41 2nna s SER 127 N -3.35 4.96 -0.09 7.38 0.01 -1.26 0.48 113.70 121.82 2nna s SER 127 Ca 0.31 2.52 -0.04 0.00 1.31 0.00 0.00 55.95 60.05 2nna s SER 127 Cb -0.09 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.58 2nna s SER 127 CO 0.22 -1.76 0.20 -0.69 0.41 0.00 0.00 173.24 171.63 2nna s VAL 128 N -1.48 -0.18 -0.02 3.43 1.01 -0.87 -4.74 120.40 117.55 2nna s VAL 128 Ca 0.79 0.24 0.06 0.00 0.00 0.00 0.00 61.98 63.07 2nna s VAL 128 Cb -0.34 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 2nna s VAL 128 CO 0.37 0.10 0.14 0.35 0.00 0.00 0.00 175.10 176.06 2nna n THR 129 N 4.75 0.00 -2.16 3.92 -2.24 -1.26 -4.32 114.28 112.97 2nna n THR 129 Ca -0.16 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 2nna n THR 129 Cb 0.51 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2nna n THR 129 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2nna s GLU 130 N -2.39 4.32 -0.12 -0.78 2.56 -1.26 -2.76 118.70 118.25 2nna s GLU 130 Ca -0.02 2.08 0.00 0.00 0.00 0.00 0.00 54.97 57.03 2nna s GLU 130 Cb 0.04 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.92 2nna s GLU 130 CO 0.25 -0.44 0.00 0.41 -0.56 0.00 0.00 175.26 174.92 2nna n GLY 131 N 3.50 0.49 3.86 -1.50 0.00 -1.26 -4.77 105.19 105.52 2nna n GLY 131 Ca 0.12 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2nna n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nna s VAL 132 N -1.92 5.48 0.29 1.61 1.01 -1.11 -1.26 120.40 124.50 2nna s VAL 132 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2nna s VAL 132 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.99 2nna s VAL 132 CO 0.00 0.60 0.55 -0.94 0.00 0.00 0.00 175.10 175.32 2nna s SER 133 N -0.90 0.11 0.13 3.32 1.04 -0.47 -4.97 113.70 111.95 2nna s SER 133 Ca 0.14 -1.03 -0.24 0.00 0.48 0.00 0.00 55.95 55.30 2nna s SER 133 Cb -0.12 0.66 0.08 0.00 0.10 0.00 0.00 66.02 66.74 2nna s SER 133 CO 0.03 -1.28 0.68 -1.83 0.98 0.00 0.00 173.24 171.82 2nna s GLU 134 N -3.56 1.19 0.85 4.02 -1.05 -1.26 0.31 118.70 119.20 2nna s GLU 134 Ca 0.22 -0.45 -0.09 0.00 -0.15 0.00 0.00 54.97 54.49 2nna s GLU 134 Cb -0.02 0.54 0.16 0.00 -0.44 0.00 0.00 34.13 34.37 2nna s GLU 134 CO 0.11 -0.52 1.17 0.95 0.95 0.00 0.00 175.26 177.92 2nna s THR 135 N -3.61 2.07 0.00 1.83 -4.23 -0.15 -5.00 115.64 106.55 2nna s THR 135 Ca 0.02 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2nna s THR 135 Cb -0.01 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2nna s THR 135 CO -0.11 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.77 2nna n SER 136 N -3.33 0.00 -4.69 3.99 7.64 -1.26 -4.69 113.62 111.27 2nna n SER 136 Ca 0.15 -0.95 -0.42 0.00 1.01 0.00 0.00 58.87 58.66 2nna n SER 136 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 2nna n SER 136 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2nna s PHE 137 N -0.74 3.51 -0.11 1.43 0.40 -1.26 -4.60 117.98 116.61 2nna s PHE 137 Ca 0.00 1.44 -0.12 0.00 -0.60 0.00 0.00 56.93 57.65 2nna s PHE 137 Cb 0.00 -3.07 -0.05 0.00 0.51 0.00 0.00 43.02 40.41 2nna s PHE 137 CO 0.00 -0.16 0.29 -0.51 0.70 0.00 0.00 175.22 175.53 2nna s LEU 138 N 1.79 4.34 0.73 -0.37 2.01 0.38 -4.92 118.68 122.64 2nna s LEU 138 Ca 0.44 0.62 -0.12 0.00 0.01 0.00 0.00 54.13 55.08 2nna s LEU 138 Cb -0.18 -2.36 0.04 0.00 0.01 0.00 0.00 46.19 43.70 2nna s LEU 138 CO 0.17 0.24 1.09 -0.94 1.01 0.00 0.00 176.35 177.92 2nna s SER 139 N -0.32 4.77 0.04 2.29 1.04 -1.26 -1.61 113.70 118.64 2nna s SER 139 Ca 0.18 1.85 0.02 0.00 0.48 0.00 0.00 55.95 58.48 2nna s SER 139 Cb -0.14 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 2nna s SER 139 CO 0.06 -1.86 -0.08 -0.54 0.98 0.00 0.00 173.24 171.81 2nna s LYS 140 N -4.70 0.52 0.64 4.02 1.02 -1.06 -4.81 119.74 115.37 2nna s LYS 140 Ca 0.62 -0.69 0.41 0.00 0.02 0.00 0.00 55.97 56.33 2nna s LYS 140 Cb -0.18 -0.30 2.17 0.00 -0.52 0.00 0.00 37.83 39.00 2nna s LYS 140 CO 0.52 0.06 2.29 0.66 -0.92 0.00 0.00 175.35 177.96 2nna h SER 141 N 4.66 0.00 -0.23 2.83 4.64 -1.98 0.11 113.55 123.58 2nna h SER 141 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2nna h SER 141 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2nna h SER 141 CO 0.42 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.48 2nna n ASP 142 N -3.20 1.93 -0.58 4.97 5.75 -1.26 -4.92 116.55 119.25 2nna n ASP 142 Ca -0.02 -1.79 -0.08 0.00 -0.01 0.00 0.00 54.79 52.89 2nna n ASP 142 Cb 0.12 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.03 2nna n ASP 142 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2nna n HIS 143 N 0.51 0.00 -2.80 2.11 8.25 0.38 -5.04 115.22 118.62 2nna n HIS 143 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 2nna n HIS 143 Cb 0.36 -1.58 0.04 0.00 1.12 0.00 0.00 29.99 29.93 2nna n HIS 143 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2nna n SER 144 N 0.71 0.94 -4.06 0.41 3.41 -1.26 -4.90 113.62 108.87 2nna n SER 144 Ca -0.08 -1.71 -0.19 0.00 -0.26 0.00 0.00 58.87 56.63 2nna n SER 144 Cb 0.25 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 2nna n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2nna s PHE 145 N -1.08 1.62 0.04 7.33 0.40 0.28 -2.56 117.98 124.01 2nna s PHE 145 Ca 0.32 -1.32 -0.01 0.00 -0.60 0.00 0.00 56.93 55.32 2nna s PHE 145 Cb -0.02 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 2nna s PHE 145 CO 0.21 -0.46 -0.03 -0.59 0.70 0.00 0.00 175.22 175.05 2nna s PHE 146 N -3.59 0.45 -0.07 0.36 -0.12 -0.63 0.35 117.98 114.73 2nna s PHE 146 Ca 0.35 -0.93 -0.12 0.00 -0.05 0.00 0.00 56.93 56.18 2nna s PHE 146 Cb 0.05 -0.34 0.03 0.00 -0.63 0.00 0.00 43.02 42.13 2nna s PHE 146 CO 0.17 -0.33 0.30 0.21 -0.05 0.00 0.00 175.22 175.52 2nna s LYS 147 N -3.27 0.49 -0.08 1.99 2.20 0.03 -0.47 119.74 120.62 2nna s LYS 147 Ca 0.01 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 55.80 2nna s LYS 147 Cb 0.03 0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.57 2nna s LYS 147 CO -0.08 -0.10 -0.22 0.42 -0.36 0.00 0.00 175.35 175.01 2nna s ILE 148 N -0.50 1.90 0.10 5.43 1.01 -1.26 -0.64 121.20 127.24 2nna s ILE 148 Ca -0.06 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.71 2nna s ILE 148 Cb -0.04 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2nna s ILE 148 CO 0.02 0.53 -0.05 -0.55 0.00 0.00 0.00 174.94 174.88 2nna s SER 149 N 0.25 4.69 0.05 3.58 0.15 -0.45 -0.98 113.70 121.00 2nna s SER 149 Ca -0.14 -0.30 0.06 0.00 0.70 0.00 0.00 55.95 56.28 2nna s SER 149 Cb -0.16 -1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 63.12 2nna s SER 149 CO 0.07 0.17 -0.18 -0.31 1.20 0.00 0.00 173.24 174.19 2nna s TYR 150 N -1.28 1.54 -0.26 3.44 2.02 0.15 -0.58 117.35 122.37 2nna s TYR 150 Ca 0.24 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2nna s TYR 150 Cb -0.11 -0.90 0.09 0.00 -0.40 0.00 0.00 41.96 40.64 2nna s TYR 150 CO 0.16 0.08 0.09 -1.17 -1.57 0.00 0.00 175.55 173.14 2nna s LEU 151 N -1.31 1.37 0.11 -1.29 2.96 -0.45 -1.37 118.68 118.70 2nna s LEU 151 Ca 0.04 -1.26 -0.31 0.00 -0.22 0.00 0.00 54.13 52.39 2nna s LEU 151 Cb -0.09 -0.61 -0.07 0.00 0.50 0.00 0.00 46.19 45.92 2nna s LEU 151 CO 0.02 -0.39 1.31 0.42 -1.32 0.00 0.00 176.35 176.39 2nna s THR 152 N 1.85 3.53 0.24 3.68 -4.23 -0.39 -1.04 115.64 119.28 2nna s THR 152 Ca 0.06 1.12 -0.08 0.00 -1.18 0.00 0.00 61.69 61.61 2nna s THR 152 Cb -0.17 -3.72 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 2nna s THR 152 CO -0.23 0.10 0.38 0.72 -0.54 0.00 0.00 174.62 175.05 2nna s PHE 153 N 0.93 0.68 -0.29 3.99 -0.71 -0.05 -4.81 117.98 117.71 2nna s PHE 153 Ca 0.61 -0.98 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 2nna s PHE 153 Cb -0.34 -0.06 0.06 0.00 -1.21 0.00 0.00 43.02 41.47 2nna s PHE 153 CO 0.31 -0.91 -0.03 -1.17 -1.34 0.00 0.00 175.22 172.09 2nna s LEU 154 N -3.08 3.87 0.13 -1.99 2.96 -1.26 -0.58 118.68 118.72 2nna s LEU 154 Ca 0.28 -1.43 -0.35 0.00 -0.22 0.00 0.00 54.13 52.42 2nna s LEU 154 Cb 0.02 -1.65 -0.16 0.00 0.50 0.00 0.00 46.19 44.89 2nna s LEU 154 CO 0.11 -0.26 1.20 -2.65 -1.32 0.00 0.00 176.35 173.44 2nna n PRO 155 N 4.52 1.04 -3.65 0.98 -0.02 -1.26 -4.78 135.00 131.83 2nna n PRO 155 Ca -0.12 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 2nna n PRO 155 Cb 0.43 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 31.93 2nna n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2nna s SER 156 N 0.15 -0.36 0.00 2.55 0.15 -1.26 -1.14 113.70 113.78 2nna s SER 156 Ca 0.78 0.23 0.26 0.00 0.70 0.00 0.00 55.95 57.92 2nna s SER 156 Cb -0.92 0.42 1.31 0.00 -1.71 0.00 0.00 66.02 65.12 2nna s SER 156 CO 0.51 -0.58 1.88 0.00 1.20 0.00 0.00 173.24 176.25 2nna n ALA 157 N 0.87 2.30 -0.43 5.45 0.00 -1.26 -3.08 120.51 124.37 2nna n ALA 157 Ca -0.20 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.23 2nna n ALA 157 Cb 0.58 -1.42 0.33 0.00 0.00 0.00 0.00 19.45 18.93 2nna n ALA 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2nna n ASP 158 N -1.28 4.13 -3.77 0.00 8.00 -1.26 -4.95 116.55 117.41 2nna n ASP 158 Ca 0.12 -2.12 -0.13 0.00 0.71 0.00 0.00 54.79 53.38 2nna n ASP 158 Cb 0.21 -0.50 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 2nna n ASP 158 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2nna s GLU 159 N -1.22 0.17 0.04 -1.24 2.02 -1.18 -4.97 118.70 112.32 2nna s GLU 159 Ca 0.49 0.34 0.07 0.00 0.02 0.00 0.00 54.97 55.89 2nna s GLU 159 Cb 0.27 -0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.44 2nna s GLU 159 CO 0.30 -0.10 -0.19 0.96 0.02 0.00 0.00 175.26 176.25 2nna s ILE 160 N 0.67 1.54 0.42 -1.63 -4.36 -1.26 -4.59 121.20 111.99 2nna s ILE 160 Ca -0.05 -1.13 0.07 0.00 -0.26 0.00 0.00 60.65 59.28 2nna s ILE 160 Cb -0.06 -1.35 -0.07 0.00 1.25 0.00 0.00 42.46 42.23 2nna s ILE 160 CO -0.04 0.18 0.02 -0.31 0.24 0.00 0.00 174.94 175.03 2nna s TYR 161 N -0.78 2.48 -0.15 1.37 1.51 -0.76 -0.56 117.35 120.46 2nna s TYR 161 Ca 0.06 -0.69 -0.11 0.00 -1.01 0.00 0.00 57.07 55.32 2nna s TYR 161 Cb -0.08 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2nna s TYR 161 CO 0.01 0.42 0.38 -0.51 -1.11 0.00 0.00 175.55 174.74 2nna s ASP 162 N -3.73 -0.42 -0.27 2.29 1.01 -0.19 -2.08 116.67 113.27 2nna s ASP 162 Ca 0.33 0.78 -0.10 0.00 0.71 0.00 0.00 52.55 54.27 2nna s ASP 162 Cb 0.09 0.74 -0.05 0.00 1.01 0.00 0.00 42.92 44.72 2nna s ASP 162 CO 0.17 -0.15 0.16 0.00 0.21 0.00 0.00 175.17 175.57 2nna s LYS 164 N 1.70 3.99 -0.12 0.00 2.20 0.11 -1.73 119.74 125.89 2nna s LYS 164 Ca 0.07 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.39 2nna s LYS 164 Cb -0.16 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 2nna s LYS 164 CO 0.09 0.09 -0.21 0.08 -0.36 0.00 0.00 175.35 175.05 2nna s VAL 165 N 0.92 1.88 -0.14 4.02 1.01 0.58 -1.14 120.40 127.53 2nna s VAL 165 Ca 0.06 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2nna s VAL 165 Cb -0.13 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 2nna s VAL 165 CO 0.03 0.52 -0.18 -1.61 0.00 0.00 0.00 175.10 173.86 2nna s GLU 166 N 0.68 3.18 -0.13 2.72 2.02 -0.23 -0.74 118.70 126.21 2nna s GLU 166 Ca -0.11 -0.78 -0.18 0.00 0.02 0.00 0.00 54.97 53.92 2nna s GLU 166 Cb -0.16 -2.53 0.04 0.00 0.10 0.00 0.00 34.13 31.58 2nna s GLU 166 CO 0.02 0.09 0.46 -1.58 0.02 0.00 0.00 175.26 174.27 2nna s HIS 167 N 0.62 -0.46 0.59 1.61 2.46 -1.26 -1.54 115.29 117.31 2nna s HIS 167 Ca -0.10 1.04 0.29 0.00 0.47 0.00 0.00 55.06 56.76 2nna s HIS 167 Cb -0.16 0.18 1.63 0.00 -0.13 0.00 0.00 32.58 34.10 2nna s HIS 167 CO 0.03 -0.32 2.07 -1.49 -2.47 0.00 0.00 174.74 172.56 2nna h TRP 168 N 4.82 0.00 0.00 3.88 6.55 -1.93 -1.72 115.95 127.54 2nna h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 2nna h TRP 168 Cb 1.17 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.47 2nna h TRP 168 CO 0.42 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.22 2nna n GLY 169 N -1.42 -1.50 3.84 1.49 0.00 -1.26 -4.85 105.19 101.50 2nna n GLY 169 Ca 0.03 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2nna n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nna s LEU 170 N -4.06 4.27 0.35 0.99 1.43 -0.65 -4.64 118.68 116.37 2nna s LEU 170 Ca 0.09 1.17 0.18 0.00 -1.03 0.00 0.00 54.13 54.54 2nna s LEU 170 Cb 0.13 -3.55 0.59 0.00 0.03 0.00 0.00 46.19 43.39 2nna s LEU 170 CO 0.50 0.01 1.69 0.44 0.23 0.00 0.00 176.35 179.22 2nna h ASP 171 N 3.14 0.00 -5.01 2.29 3.32 -1.88 -3.46 116.42 114.82 2nna h ASP 171 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2nna h ASP 171 Cb 1.19 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.62 2nna h ASP 171 CO 0.66 0.42 0.17 -1.83 -1.72 0.00 0.00 179.24 176.94 2nna s GLU 172 N -3.54 1.29 0.34 3.56 -1.05 -1.26 -5.14 118.70 112.89 2nna s GLU 172 Ca 0.00 -0.54 -0.28 0.00 -0.15 0.00 0.00 54.97 54.00 2nna s GLU 172 Cb 0.11 0.57 -0.12 0.00 -0.44 0.00 0.00 34.13 34.25 2nna s GLU 172 CO 0.70 -0.56 1.32 -2.30 0.95 0.00 0.00 175.26 175.37 2nna n PRO 173 N -0.36 2.19 -3.32 -4.83 -0.02 -1.26 -4.94 135.00 122.45 2nna n PRO 173 Ca -0.16 0.77 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 2nna n PRO 173 Cb 0.64 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 2nna n PRO 173 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nna s LEU 174 N -1.03 4.40 -0.31 2.45 1.43 0.08 -4.91 118.68 120.79 2nna s LEU 174 Ca 0.56 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 2nna s LEU 174 Cb -0.56 -2.76 0.09 0.00 0.03 0.00 0.00 46.19 42.99 2nna s LEU 174 CO 0.61 0.15 0.05 -0.76 0.23 0.00 0.00 176.35 176.64 2nna s LEU 175 N -0.29 3.48 -0.32 1.79 1.43 -1.26 -0.31 118.68 123.21 2nna s LEU 175 Ca 0.27 -1.82 -0.16 0.00 -1.03 0.00 0.00 54.13 51.40 2nna s LEU 175 Cb -0.17 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2nna s LEU 175 CO 0.14 -0.37 0.41 -0.75 0.23 0.00 0.00 176.35 176.01 2nna s LYS 176 N 1.25 3.70 0.43 1.70 2.47 -0.71 -4.90 119.74 123.68 2nna s LYS 176 Ca 0.08 -0.21 -0.11 0.00 -1.56 0.00 0.00 55.97 54.16 2nna s LYS 176 Cb -0.18 -3.77 -0.06 0.00 -1.46 0.00 0.00 37.83 32.36 2nna s LYS 176 CO -0.14 -0.49 0.81 -1.58 0.16 0.00 0.00 175.35 174.10 2nna s HIS 177 N 2.15 3.48 -0.19 4.03 5.65 -1.26 -1.48 115.29 127.65 2nna s HIS 177 Ca 0.15 1.11 -0.14 0.00 0.25 0.00 0.00 55.06 56.43 2nna s HIS 177 Cb -0.16 -2.50 0.06 0.00 -1.18 0.00 0.00 32.58 28.80 2nna s HIS 177 CO 0.12 -0.17 0.49 -0.46 -0.65 0.00 0.00 174.74 174.06 2nna s TRP 178 N -2.45 -0.64 0.06 3.88 -0.00 -0.89 -4.91 118.94 114.00 2nna s TRP 178 Ca 0.52 1.43 0.04 0.00 -0.00 0.00 0.00 56.10 58.10 2nna s TRP 178 Cb -0.10 0.28 -0.03 0.00 -0.00 0.00 0.00 33.47 33.62 2nna s TRP 178 CO 0.32 -0.33 -0.12 -1.21 -0.00 0.00 0.00 176.95 175.61 2nna s GLU 179 N 0.92 0.73 0.00 5.86 2.02 -1.26 -1.83 118.70 125.14 2nna s GLU 179 Ca -0.05 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2nna s GLU 179 Cb -0.06 -0.67 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2nna s GLU 179 CO -0.08 0.14 0.48 -2.30 0.02 0.00 0.00 175.26 173.52