#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o95 s LYS 2 N 0.00 1.76 -0.08 1.43 1.02 -1.26 -1.90 119.74 120.71 1o95 s LYS 2 Ca 0.00 -1.16 0.04 0.00 0.02 0.00 0.00 55.97 54.86 1o95 s LYS 2 Cb 0.00 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1o95 s LYS 2 CO 0.00 0.49 -0.21 0.42 -0.92 0.00 0.00 175.35 175.13 1o95 s ILE 3 N -1.03 1.82 -0.11 2.17 1.01 -0.66 -2.77 121.20 121.63 1o95 s ILE 3 Ca 0.15 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1o95 s ILE 3 Cb -0.10 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1o95 s ILE 3 CO 0.07 0.51 0.11 -0.22 0.00 0.00 0.00 174.94 175.41 1o95 s LEU 4 N 0.34 4.21 0.09 2.97 2.96 -0.83 -0.48 118.68 127.95 1o95 s LEU 4 Ca -0.15 0.40 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 1o95 s LEU 4 Cb -0.17 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1o95 s LEU 4 CO 0.07 0.40 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.66 1o95 s VAL 5 N -0.98 1.25 -0.20 1.68 1.01 0.10 0.28 120.40 123.55 1o95 s VAL 5 Ca 0.14 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 60.68 1o95 s VAL 5 Cb -0.12 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1o95 s VAL 5 CO 0.04 -0.26 -0.17 -0.63 0.00 0.00 0.00 175.10 174.08 1o95 s ILE 6 N -1.51 2.04 0.53 2.22 -1.09 0.82 -2.85 121.20 121.36 1o95 s ILE 6 Ca 0.02 -1.11 -0.12 0.00 -2.23 0.00 0.00 60.65 57.22 1o95 s ILE 6 Cb -0.08 -1.94 -0.06 0.00 -1.58 0.00 0.00 42.46 38.80 1o95 s ILE 6 CO 0.03 0.37 0.93 0.00 -1.23 0.00 0.00 174.94 175.04 1o95 s ALA 7 N 1.26 3.19 -0.02 9.38 0.00 -0.82 -4.32 121.76 130.42 1o95 s ALA 7 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1o95 s ALA 7 Cb -0.15 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1o95 s ALA 7 CO -0.11 -0.38 -0.08 -2.00 0.00 0.00 0.00 175.76 173.20 1o95 s GLU 8 N -4.54 0.78 0.19 0.00 2.12 -1.26 -4.76 118.70 111.23 1o95 s GLU 8 Ca 0.54 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.62 1o95 s GLU 8 Cb -0.10 -0.74 -0.05 0.00 0.26 0.00 0.00 34.13 33.50 1o95 s GLU 8 CO 0.42 0.12 0.04 -3.38 -0.54 0.00 0.00 175.26 171.92 1o95 s HIS 9 N 0.09 1.22 -0.13 5.30 -3.43 -1.26 -1.46 115.29 115.62 1o95 s HIS 9 Ca -0.01 -1.12 -0.29 0.00 -0.80 0.00 0.00 55.06 52.84 1o95 s HIS 9 Cb -0.06 -0.69 0.08 0.00 -1.43 0.00 0.00 32.58 30.47 1o95 s HIS 9 CO 0.00 -0.32 0.73 0.50 -2.00 0.00 0.00 174.74 173.65 1o95 s ARG 10 N -3.98 0.93 -0.82 -0.38 3.52 -0.95 -4.60 118.95 112.68 1o95 s ARG 10 Ca 0.28 0.47 -0.14 0.00 -0.13 0.00 0.00 55.73 56.22 1o95 s ARG 10 Cb 0.07 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 1o95 s ARG 10 CO 0.06 -0.24 0.51 0.54 -0.81 0.00 0.00 175.30 175.37 1o95 n ARG 11 N 1.45 -0.83 -0.80 5.12 1.74 -1.26 -0.84 116.66 121.25 1o95 n ARG 11 Ca -0.17 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1o95 n ARG 11 Cb 0.56 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1o95 n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1o95 n ASN 12 N -1.80 -2.83 -4.13 0.55 3.02 -1.26 -4.95 115.26 103.87 1o95 n ASN 12 Ca -0.18 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.11 1o95 n ASN 12 Cb 0.51 -2.56 -0.16 0.00 -0.61 0.00 0.00 39.78 36.96 1o95 n ASN 12 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1o95 s ASP 13 N -2.08 2.12 0.38 6.41 1.01 -0.02 -5.08 116.67 119.41 1o95 s ASP 13 Ca 0.00 -0.35 -0.27 0.00 0.71 0.00 0.00 52.55 52.64 1o95 s ASP 13 Cb 0.00 -0.59 -0.09 0.00 1.01 0.00 0.00 42.92 43.25 1o95 s ASP 13 CO 0.00 0.15 1.29 -0.22 0.21 0.00 0.00 175.17 176.60 1o95 s LEU 14 N 0.04 4.29 -0.09 1.23 2.96 -1.26 -2.23 118.68 123.61 1o95 s LEU 14 Ca -0.04 2.63 -0.21 0.00 -0.22 0.00 0.00 54.13 56.29 1o95 s LEU 14 Cb -0.11 -3.82 -0.04 0.00 0.50 0.00 0.00 46.19 42.72 1o95 s LEU 14 CO 0.02 -0.70 0.60 -0.13 -1.32 0.00 0.00 176.35 174.82 1o95 s ARG 15 N -2.07 4.39 0.63 1.98 0.52 -0.53 -4.97 118.95 118.89 1o95 s ARG 15 Ca 0.54 0.69 0.23 0.00 -0.52 0.00 0.00 55.73 56.66 1o95 s ARG 15 Cb -0.38 -3.45 1.10 0.00 0.52 0.00 0.00 34.95 32.74 1o95 s ARG 15 CO 0.49 0.09 1.59 -1.35 0.02 0.00 0.00 175.30 176.14 1o95 h PRO 16 N 6.77 0.00 0.00 3.54 0.11 -1.95 -0.04 132.00 140.43 1o95 h PRO 16 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1o95 h PRO 16 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1o95 h PRO 16 CO 0.76 0.00 0.00 -0.24 -0.21 0.00 0.00 178.00 178.31 1o95 h VAL 17 N 0.00 0.00 -0.01 3.15 3.04 -1.94 -1.67 116.25 118.83 1o95 h VAL 17 Ca 0.18 -0.21 -0.21 0.00 -1.01 0.00 0.00 66.70 65.45 1o95 h VAL 17 Cb 1.60 0.94 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1o95 h VAL 17 CO -0.00 0.00 -0.89 0.28 -1.01 0.00 0.00 177.57 175.95 1o95 h SER 18 N 0.00 0.42 1.18 3.17 0.02 -1.34 -0.06 113.55 116.94 1o95 h SER 18 Ca 0.00 -0.33 -0.17 0.00 -0.84 0.00 0.00 61.79 60.45 1o95 h SER 18 Cb 0.28 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1o95 h SER 18 CO 0.00 1.12 -0.82 -0.07 -1.14 0.00 0.00 176.83 175.93 1o95 h LEU 19 N 0.19 0.00 0.38 5.07 3.38 -1.48 -3.03 115.31 119.81 1o95 h LEU 19 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1o95 h LEU 19 Cb 1.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1o95 h LEU 19 CO 0.15 0.82 -0.34 -0.33 0.09 0.00 0.00 178.44 178.83 1o95 h GLU 20 N 0.00 -0.70 -0.79 1.13 5.08 -1.23 0.30 114.58 118.37 1o95 h GLU 20 Ca -0.01 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1o95 h GLU 20 Cb 1.62 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.98 1o95 h GLU 20 CO 0.11 -0.47 0.49 -0.07 -1.00 0.00 0.00 179.01 178.07 1o95 h LEU 21 N -0.73 0.77 -0.30 1.33 3.38 -1.08 0.58 115.31 119.26 1o95 h LEU 21 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1o95 h LEU 21 Cb 0.64 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1o95 h LEU 21 CO -0.04 0.50 0.11 0.40 0.09 0.00 0.00 178.44 179.51 1o95 h ILE 22 N 0.91 0.93 -0.52 1.22 2.04 -1.23 0.44 117.51 121.29 1o95 h ILE 22 Ca 0.34 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 66.16 1o95 h ILE 22 Cb 0.13 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1o95 h ILE 22 CO -0.16 0.05 -0.36 1.23 0.00 0.00 0.00 178.15 178.90 1o95 h GLY 23 N 0.25 -1.50 0.99 5.37 0.00 0.16 0.27 103.07 108.62 1o95 h GLY 23 Ca 0.13 0.89 -0.00 0.00 0.00 0.00 0.00 47.33 48.35 1o95 h GLY 23 CO -0.13 -0.36 0.33 0.00 0.00 0.00 0.00 176.54 176.39 1o95 h ALA 24 N -0.19 0.71 -0.15 3.60 0.00 0.23 -0.04 119.26 123.43 1o95 h ALA 24 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1o95 h ALA 24 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1o95 h ALA 24 CO -0.53 0.19 0.05 0.00 0.00 0.00 0.00 179.25 178.96 1o95 h ALA 25 N 1.16 0.16 0.30 0.00 0.00 0.39 0.19 119.26 121.46 1o95 h ALA 25 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1o95 h ALA 25 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1o95 h ALA 25 CO -0.04 -0.40 -0.24 -0.91 0.00 0.00 0.00 179.25 177.66 1o95 h ASN 26 N 0.12 -0.64 -0.36 0.00 4.21 0.13 0.12 115.58 119.14 1o95 h ASN 26 Ca 0.06 0.05 0.12 0.00 1.21 0.00 0.00 56.30 57.74 1o95 h ASN 26 Cb 0.04 0.20 -0.07 0.00 -1.12 0.00 0.00 38.32 37.38 1o95 h ASN 26 CO -0.07 -0.34 0.07 0.61 -1.29 0.00 0.00 177.43 176.41 1o95 n GLY 27 N -1.28 -0.42 0.16 2.83 0.00 -0.34 -0.75 105.19 105.39 1o95 n GLY 27 Ca -0.06 0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.37 1o95 n GLY 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1o95 h LEU 28 N 0.00 0.00 -9.85 0.99 5.85 0.20 -3.49 115.31 109.02 1o95 h LEU 28 Ca 0.25 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.44 1o95 h LEU 28 Cb 0.58 0.00 0.07 0.00 0.37 0.00 0.00 40.66 41.68 1o95 h LEU 28 CO -0.32 0.18 0.72 -1.59 -0.34 0.00 0.00 178.44 177.10 1o95 s LYS 29 N -3.16 4.25 0.27 1.25 0.00 0.07 -4.70 119.74 117.73 1o95 s LYS 29 Ca 0.03 2.35 0.21 0.00 0.00 0.00 0.00 55.97 58.56 1o95 s LYS 29 Cb 0.07 -3.06 0.10 0.00 0.00 0.00 0.00 37.83 34.95 1o95 s LYS 29 CO 0.74 -0.37 1.24 0.87 0.00 0.00 0.00 175.35 177.83 1o95 h LYS 30 N 3.89 0.00 -4.69 1.78 1.57 -1.93 -3.45 116.57 113.74 1o95 h LYS 30 Ca -0.48 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.00 1o95 h LYS 30 Cb 1.23 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.39 1o95 h LYS 30 CO 0.70 0.08 -0.60 -1.54 -0.57 0.00 0.00 179.45 177.52 1o95 s SER 31 N -5.79 0.58 0.00 0.86 1.04 -1.26 -5.01 113.70 104.11 1o95 s SER 31 Ca 0.02 -1.44 0.30 0.00 0.48 0.00 0.00 55.95 55.31 1o95 s SER 31 Cb 0.08 0.37 1.42 0.00 0.10 0.00 0.00 66.02 67.98 1o95 s SER 31 CO 0.75 -0.85 1.97 0.61 0.98 0.00 0.00 173.24 176.70 1o95 n GLY 32 N -0.36 -1.01 0.15 7.32 0.00 -1.26 -2.51 105.19 107.52 1o95 n GLY 32 Ca 0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1o95 n GLY 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1o95 h GLU 33 N 0.38 0.43 -6.61 1.61 -0.00 -1.97 -3.47 114.58 104.95 1o95 h GLU 33 Ca 0.00 -0.30 -0.59 0.00 -0.00 0.00 0.00 59.36 58.47 1o95 h GLU 33 Cb 0.28 0.05 0.10 0.00 -0.00 0.00 0.00 28.75 29.18 1o95 h GLU 33 CO 0.00 0.92 0.44 -0.25 -0.00 0.00 0.00 179.01 180.12 1o95 n ASP 34 N -4.39 2.36 -4.36 3.06 8.00 -1.04 -4.93 116.55 115.25 1o95 n ASP 34 Ca -0.07 1.18 -0.35 0.00 0.71 0.00 0.00 54.79 56.26 1o95 n ASP 34 Cb 0.49 -1.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.05 1o95 n ASP 34 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1o95 s LYS 35 N -1.26 3.45 -0.70 -1.24 -2.85 -0.80 -4.95 119.74 111.40 1o95 s LYS 35 Ca 0.61 -0.60 -0.26 0.00 -1.00 0.00 0.00 55.97 54.71 1o95 s LYS 35 Cb -0.64 -2.97 0.04 0.00 -2.06 0.00 0.00 37.83 32.19 1o95 s LYS 35 CO 0.57 -0.07 1.20 0.08 0.10 0.00 0.00 175.35 177.23 1o95 s VAL 36 N 1.17 3.88 -0.03 1.79 1.01 -1.26 -1.65 120.40 125.31 1o95 s VAL 36 Ca 0.02 0.36 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 1o95 s VAL 36 Cb -0.14 -4.84 -0.05 0.00 0.00 0.00 0.00 36.38 31.35 1o95 s VAL 36 CO -0.01 -1.69 0.54 0.54 0.00 0.00 0.00 175.10 174.48 1o95 s VAL 37 N 5.29 5.00 0.18 2.92 0.11 0.37 0.11 120.40 134.39 1o95 s VAL 37 Ca 0.34 1.11 0.11 0.00 -2.93 0.00 0.00 61.98 60.61 1o95 s VAL 37 Cb -0.09 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 30.84 1o95 s VAL 37 CO 0.16 0.42 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.46 1o95 s VAL 38 N -0.11 2.60 -0.09 2.04 1.01 -0.84 -0.72 120.40 124.28 1o95 s VAL 38 Ca 0.29 -1.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 1o95 s VAL 38 Cb -0.17 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1o95 s VAL 38 CO 0.15 -0.10 0.22 0.00 0.00 0.00 0.00 175.10 175.37 1o95 s ALA 39 N -1.64 -0.49 -0.02 5.51 0.00 -1.13 0.14 121.76 124.13 1o95 s ALA 39 Ca 0.22 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.11 1o95 s ALA 39 Cb -0.08 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1o95 s ALA 39 CO 0.11 -0.18 -0.17 0.54 0.00 0.00 0.00 175.76 176.06 1o95 s VAL 40 N 1.12 1.39 -0.12 0.00 0.11 -0.43 -1.95 120.40 120.52 1o95 s VAL 40 Ca -0.08 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 1o95 s VAL 40 Cb -0.10 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.60 1o95 s VAL 40 CO -0.07 0.40 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.28 1o95 s ILE 41 N -0.29 1.80 0.00 7.04 1.01 -1.25 -0.63 121.20 128.88 1o95 s ILE 41 Ca 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1o95 s ILE 41 Cb -0.08 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1o95 s ILE 41 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1o95 n GLY 42 N 4.09 0.29 0.13 6.18 0.00 0.14 -4.83 105.19 111.20 1o95 n GLY 42 Ca -0.20 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.12 1o95 n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1o95 n SER 43 N 0.00 0.65 -1.94 1.61 3.41 -0.87 -2.49 113.62 114.00 1o95 n SER 43 Ca 0.00 0.68 -0.10 0.00 -0.26 0.00 0.00 58.87 59.19 1o95 n SER 43 Cb 0.00 -0.81 0.06 0.00 -0.26 0.00 0.00 64.21 63.20 1o95 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o95 n GLN 44 N -2.24 2.43 0.25 4.33 6.02 -1.26 -4.95 117.38 121.95 1o95 n GLN 44 Ca 0.02 -3.64 0.11 0.00 -0.01 0.00 0.00 57.00 53.48 1o95 n GLN 44 Cb 0.20 -1.77 0.63 0.00 1.02 0.00 0.00 30.24 30.32 1o95 n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o95 h ALA 45 N 1.98 1.21 -0.94 -1.58 0.00 -1.83 -2.05 119.26 116.05 1o95 h ALA 45 Ca 0.12 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1o95 h ALA 45 Cb 1.41 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 1o95 h ALA 45 CO 0.41 0.21 -0.48 -0.44 0.00 0.00 0.00 179.25 178.95 1o95 h ASP 46 N 0.00 -1.76 0.00 0.00 3.32 -1.91 -2.82 116.42 113.25 1o95 h ASP 46 Ca -0.00 0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1o95 h ASP 46 Cb 0.47 0.84 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1o95 h ASP 46 CO 0.02 -0.27 0.42 0.00 -1.72 0.00 0.00 179.24 177.69 1o95 n ALA 47 N -3.33 0.10 0.01 3.45 0.00 -0.77 0.21 120.51 120.18 1o95 n ALA 47 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.54 1o95 n ALA 47 Cb 0.33 -0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 1o95 n ALA 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1o95 n PHE 48 N -1.01 0.50 -0.12 0.00 3.01 -1.06 -4.71 117.46 114.06 1o95 n PHE 48 Ca 0.00 0.16 -0.06 0.00 1.01 0.00 0.00 57.45 58.56 1o95 n PHE 48 Cb 0.42 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 1o95 n PHE 48 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1o95 h VAL 49 N 0.00 0.32 -0.56 -4.37 -1.51 0.23 0.98 116.25 111.34 1o95 h VAL 49 Ca -0.14 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.45 1o95 h VAL 49 Cb 1.37 0.32 -0.10 0.00 -2.13 0.00 0.00 31.29 30.75 1o95 h VAL 49 CO 0.02 0.00 -0.10 -0.65 -1.23 0.00 0.00 177.57 175.61 1o95 h PRO 50 N -0.18 0.03 -0.25 5.19 0.11 -1.84 -0.13 132.00 134.92 1o95 h PRO 50 Ca 0.19 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 1o95 h PRO 50 Cb 0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1o95 h PRO 50 CO -0.52 0.02 -0.23 0.00 -0.21 0.00 0.00 178.00 177.06 1o95 h ALA 51 N 1.55 1.13 -0.43 -0.75 0.00 -1.16 -2.37 119.26 117.23 1o95 h ALA 51 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1o95 h ALA 51 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1o95 h ALA 51 CO -0.55 0.55 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1o95 n LEU 52 N -4.13 2.94 -3.74 0.00 4.77 -0.54 -4.27 117.00 112.03 1o95 n LEU 52 Ca -0.00 -1.48 -0.36 0.00 -0.03 0.00 0.00 56.01 54.14 1o95 n LEU 52 Cb 0.39 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1o95 n LEU 52 CO 0.42 0.57 0.69 -1.20 -1.33 0.00 0.00 177.39 176.54 1o95 n SER 53 N 0.70 5.33 -4.05 -1.43 7.64 -0.17 -4.88 113.62 116.76 1o95 n SER 53 Ca 0.16 -3.44 -0.15 0.00 1.01 0.00 0.00 58.87 56.45 1o95 n SER 53 Cb 0.53 -1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 62.63 1o95 n SER 53 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1o95 s VAL 54 N -2.72 0.12 0.23 0.44 -7.23 -1.26 -2.88 120.40 107.10 1o95 s VAL 54 Ca 0.35 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 1o95 s VAL 54 Cb 0.10 -2.52 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 1o95 s VAL 54 CO 0.05 0.00 1.25 0.21 -0.31 0.00 0.00 175.10 176.30 1o95 s ASN 55 N -3.25 6.98 0.00 4.85 2.47 0.17 -3.03 114.94 123.13 1o95 s ASN 55 Ca 0.39 2.39 0.00 0.00 0.42 0.00 0.00 52.86 56.05 1o95 s ASN 55 Cb 0.06 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1o95 s ASN 55 CO 0.16 -0.43 0.00 0.61 -3.72 0.00 0.00 177.10 173.72 1o95 n GLY 56 N 1.87 2.86 3.63 1.21 0.00 -1.26 -4.67 105.19 108.83 1o95 n GLY 56 Ca 0.03 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1o95 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o95 s VAL 57 N -1.61 3.75 -0.56 1.61 1.01 -1.17 -4.37 120.40 119.07 1o95 s VAL 57 Ca 0.00 0.85 0.23 0.00 0.00 0.00 0.00 61.98 63.06 1o95 s VAL 57 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1o95 s VAL 57 CO 0.00 -0.32 1.10 0.47 0.00 0.00 0.00 175.10 176.35 1o95 n ASP 58 N 8.36 0.65 -3.46 3.32 10.43 0.31 -3.59 116.55 132.56 1o95 n ASP 58 Ca 0.18 -0.03 -0.13 0.00 2.57 0.00 0.00 54.79 57.38 1o95 n ASP 58 Cb 0.45 0.59 -0.03 0.00 1.84 0.00 0.00 41.12 43.97 1o95 n ASP 58 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1o95 s GLU 59 N -3.22 1.14 -0.17 -1.24 2.02 -1.18 -3.02 118.70 113.03 1o95 s GLU 59 Ca 0.04 -0.22 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 1o95 s GLU 59 Cb 0.13 0.53 0.07 0.00 0.10 0.00 0.00 34.13 34.96 1o95 s GLU 59 CO 0.78 -0.46 0.14 -1.17 0.02 0.00 0.00 175.26 174.57 1o95 s LEU 60 N -2.22 0.13 -0.36 1.80 0.20 -0.55 -1.99 118.68 115.69 1o95 s LEU 60 Ca -0.02 -0.34 -0.16 0.00 0.69 0.00 0.00 54.13 54.29 1o95 s LEU 60 Cb -0.01 0.04 -0.01 0.00 -0.43 0.00 0.00 46.19 45.78 1o95 s LEU 60 CO -0.06 -0.33 0.41 -0.69 -0.29 0.00 0.00 176.35 175.39 1o95 s VAL 61 N 2.22 5.12 -0.20 1.68 1.01 0.38 -1.01 120.40 129.61 1o95 s VAL 61 Ca 0.04 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1o95 s VAL 61 Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1o95 s VAL 61 CO -0.09 -0.17 0.44 -0.69 0.00 0.00 0.00 175.10 174.58 1o95 s VAL 62 N 2.12 5.17 -0.26 2.92 1.01 0.88 -1.31 120.40 130.93 1o95 s VAL 62 Ca 0.13 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1o95 s VAL 62 Cb -0.16 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.52 1o95 s VAL 62 CO 0.12 0.24 -0.07 -0.69 0.00 0.00 0.00 175.10 174.70 1o95 s VAL 63 N 1.35 1.89 -0.54 2.92 1.01 0.20 -0.96 120.40 126.27 1o95 s VAL 63 Ca 0.21 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.38 1o95 s VAL 63 Cb -0.15 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1o95 s VAL 63 CO 0.09 -0.12 1.20 -0.54 0.00 0.00 0.00 175.10 175.72 1o95 s LYS 64 N 1.21 3.57 0.00 2.72 1.02 -1.04 0.27 119.74 127.50 1o95 s LYS 64 Ca -0.06 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.31 1o95 s LYS 64 Cb -0.19 -3.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.13 1o95 s LYS 64 CO -0.06 -1.60 0.00 0.41 -0.92 0.00 0.00 175.35 173.17 1o95 n GLY 65 N 5.01 1.06 0.21 -3.33 0.00 -1.13 -1.13 105.19 105.89 1o95 n GLY 65 Ca 0.10 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1o95 n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1o95 h SER 66 N 0.00 -0.39 -3.96 1.61 0.02 -1.93 -3.36 113.55 105.55 1o95 h SER 66 Ca 0.00 -0.17 -0.46 0.00 -0.84 0.00 0.00 61.79 60.33 1o95 h SER 66 Cb 0.00 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1o95 h SER 66 CO 0.00 0.02 0.29 -0.94 -1.14 0.00 0.00 176.83 175.06 1o95 s SER 67 N -5.06 6.97 0.01 3.07 1.04 -1.26 -4.79 113.70 113.68 1o95 s SER 67 Ca -0.13 1.63 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 1o95 s SER 67 Cb 0.02 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 1o95 s SER 67 CO 0.49 -0.28 1.03 0.40 0.98 0.00 0.00 173.24 175.87 1o95 h ILE 68 N 2.05 0.00 -2.72 -1.02 2.04 -1.95 -2.30 117.51 113.60 1o95 h ILE 68 Ca -0.48 -0.04 -0.49 0.00 1.00 0.00 0.00 64.86 64.85 1o95 h ILE 68 Cb 1.18 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1o95 h ILE 68 CO 0.62 0.00 -0.28 -1.81 0.00 0.00 0.00 178.15 176.68 1o95 s ASP 69 N -2.74 6.34 -0.16 1.72 1.01 -1.26 -4.31 116.67 117.27 1o95 s ASP 69 Ca -0.05 0.38 -0.14 0.00 0.71 0.00 0.00 52.55 53.44 1o95 s ASP 69 Cb 0.01 -2.00 -0.06 0.00 1.01 0.00 0.00 42.92 41.88 1o95 s ASP 69 CO 0.16 -0.16 0.56 0.33 0.21 0.00 0.00 175.17 176.27 1o95 n PHE 70 N -1.29 0.49 -4.99 4.23 7.35 -1.26 -4.95 117.46 117.04 1o95 n PHE 70 Ca -0.05 0.32 -0.27 0.00 -0.76 0.00 0.00 57.45 56.68 1o95 n PHE 70 Cb 0.55 -0.71 -0.16 0.00 0.35 0.00 0.00 39.48 39.52 1o95 n PHE 70 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1o95 s ASP 71 N 1.27 2.42 0.01 -2.13 -1.08 -1.26 -4.95 116.67 110.94 1o95 s ASP 71 Ca 0.35 -0.38 -0.20 0.00 -0.52 0.00 0.00 52.55 51.79 1o95 s ASP 71 Cb -0.47 -0.46 -0.20 0.00 -1.46 0.00 0.00 42.92 40.33 1o95 s ASP 71 CO 0.24 0.22 1.17 1.55 0.52 0.00 0.00 175.17 178.87 1o95 h PRO 72 N 5.90 0.39 -0.25 4.34 0.13 -1.92 0.34 132.00 140.92 1o95 h PRO 72 Ca -0.36 -0.33 0.05 0.00 -0.87 0.00 0.00 66.00 64.50 1o95 h PRO 72 Cb 1.16 0.07 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1o95 h PRO 72 CO 0.48 0.98 -0.43 -0.44 -0.23 0.00 0.00 178.00 178.36 1o95 h ASP 73 N -0.10 -1.37 0.80 1.44 3.32 -1.98 0.35 116.42 118.89 1o95 h ASP 73 Ca -0.03 0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1o95 h ASP 73 Cb 1.07 0.58 -0.00 0.00 0.22 0.00 0.00 39.33 41.19 1o95 h ASP 73 CO 0.08 -0.40 -0.49 0.58 -1.72 0.00 0.00 179.24 177.30 1o95 h VAL 74 N -0.42 0.00 -0.58 -1.35 2.07 -1.89 0.31 116.25 114.39 1o95 h VAL 74 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1o95 h VAL 74 Cb 0.61 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1o95 h VAL 74 CO -0.48 0.00 -0.47 -0.26 0.02 0.00 0.00 177.57 176.38 1o95 h PHE 75 N -1.20 -1.48 -0.42 1.57 -1.00 -0.25 0.30 116.94 114.47 1o95 h PHE 75 Ca -0.11 0.09 0.06 0.00 2.81 0.00 0.00 57.97 60.82 1o95 h PHE 75 Cb 0.96 0.72 -0.09 0.00 3.61 0.00 0.00 35.95 41.15 1o95 h PHE 75 CO -0.09 -0.35 -0.51 1.49 -1.61 0.00 0.00 178.31 177.24 1o95 h GLU 76 N -0.16 -0.35 -0.83 1.51 4.81 -0.04 -1.05 114.58 118.46 1o95 h GLU 76 Ca 0.09 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1o95 h GLU 76 Cb 0.41 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1o95 h GLU 76 CO -0.63 -0.23 0.54 0.00 -0.73 0.00 0.00 179.01 177.96 1o95 h ALA 77 N 0.17 1.09 -0.14 2.92 0.00 -0.35 -1.98 119.26 120.96 1o95 h ALA 77 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1o95 h ALA 77 Cb 0.59 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1o95 h ALA 77 CO -0.60 0.40 0.02 0.77 0.00 0.00 0.00 179.25 179.84 1o95 h SER 78 N 1.07 0.23 -0.38 0.00 0.02 0.24 0.24 113.55 114.98 1o95 h SER 78 Ca 0.32 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1o95 h SER 78 Cb -0.04 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1o95 h SER 78 CO -0.10 0.45 0.15 0.58 -1.14 0.00 0.00 176.83 176.77 1o95 h VAL 79 N 0.01 0.92 -0.23 2.27 2.07 -1.01 0.95 116.25 121.23 1o95 h VAL 79 Ca 0.04 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1o95 h VAL 79 Cb 0.32 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1o95 h VAL 79 CO 0.00 0.06 0.14 0.28 0.02 0.00 0.00 177.57 178.07 1o95 h SER 80 N 0.32 0.23 -0.77 0.57 0.02 -0.99 3.91 113.55 116.84 1o95 h SER 80 Ca 0.17 -0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.29 1o95 h SER 80 Cb 0.13 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 1o95 h SER 80 CO -0.16 0.17 0.52 0.00 -1.14 0.00 0.00 176.83 176.22 1o95 h ALA 81 N 1.10 2.26 0.00 3.77 0.00 -0.61 -0.18 119.26 125.59 1o95 h ALA 81 Ca 0.09 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1o95 h ALA 81 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1o95 h ALA 81 CO -0.04 -0.48 -1.22 1.28 0.00 0.00 0.00 179.25 178.79 1o95 n LEU 82 N -4.45 0.75 0.00 0.00 4.77 1.18 -2.73 117.00 116.52 1o95 n LEU 82 Ca 0.15 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1o95 n LEU 82 Cb 0.62 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.56 1o95 n LEU 82 CO 0.33 -0.09 -0.51 0.16 -1.33 0.00 0.00 177.39 175.96 1o95 h ILE 83 N 0.00 0.91 0.05 -0.08 3.07 0.29 -3.04 117.51 118.72 1o95 h ILE 83 Ca -0.04 -2.69 0.01 0.00 1.55 0.00 0.00 64.86 63.69 1o95 h ILE 83 Cb 1.15 2.53 -0.02 0.00 -0.27 0.00 0.00 36.82 40.20 1o95 h ILE 83 CO 0.01 0.67 -0.12 0.00 -1.05 0.00 0.00 178.15 177.66 1o95 h ALA 84 N 0.70 -0.18 0.00 0.16 0.00 -1.16 0.88 119.26 119.66 1o95 h ALA 84 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1o95 h ALA 84 Cb 2.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1o95 h ALA 84 CO 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.72 1o95 n ALA 85 N -2.37 2.24 0.52 0.00 0.00 -1.10 -3.54 120.51 116.25 1o95 n ALA 85 Ca -0.06 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.34 1o95 n ALA 85 Cb 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1o95 n ALA 85 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o95 n HIS 86 N -1.50 0.00 -4.00 0.00 8.25 -0.93 -5.04 115.22 111.99 1o95 n HIS 86 Ca 0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.18 1o95 n HIS 86 Cb 0.32 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 1o95 n HIS 86 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1o95 n ASN 87 N -0.18 -2.28 -4.76 0.41 0.23 0.26 -4.89 115.26 104.05 1o95 n ASN 87 Ca 0.05 -1.04 -0.41 0.00 -0.53 0.00 0.00 54.58 52.65 1o95 n ASN 87 Cb 0.25 -1.25 -0.01 0.00 -2.08 0.00 0.00 39.78 36.68 1o95 n ASN 87 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1o95 s PRO 88 N -6.88 4.17 0.62 -0.53 0.04 -1.26 -4.71 135.00 126.46 1o95 s PRO 88 Ca 0.30 2.48 0.33 0.00 0.04 0.00 0.00 61.00 64.16 1o95 s PRO 88 Cb -0.17 -3.03 1.91 0.00 0.04 0.00 0.00 34.50 33.25 1o95 s PRO 88 CO 0.78 -0.51 2.20 0.66 0.04 0.00 0.00 177.00 180.17 1o95 h SER 89 N 4.10 0.00 -5.00 6.66 4.64 -1.69 -3.40 113.55 118.86 1o95 h SER 89 Ca -0.48 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 1o95 h SER 89 Cb 1.23 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.13 1o95 h SER 89 CO 0.72 0.00 -0.02 -0.69 -0.87 0.00 0.00 176.83 175.98 1o95 s VAL 90 N -4.47 0.03 -0.03 0.95 1.01 -1.25 -2.74 120.40 113.91 1o95 s VAL 90 Ca -0.05 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1o95 s VAL 90 Cb 0.14 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1o95 s VAL 90 CO 0.49 -0.13 -0.13 0.54 0.00 0.00 0.00 175.10 175.87 1o95 s VAL 91 N -1.50 1.11 -0.04 2.92 0.11 -0.59 -1.96 120.40 120.45 1o95 s VAL 91 Ca -0.11 -0.56 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 1o95 s VAL 91 Cb -0.02 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1o95 s VAL 91 CO 0.06 0.32 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.24 1o95 s LEU 92 N -0.05 2.70 0.14 2.54 1.43 0.14 -2.09 118.68 123.50 1o95 s LEU 92 Ca -0.00 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1o95 s LEU 92 Cb -0.08 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1o95 s LEU 92 CO 0.01 0.34 -0.11 -0.76 0.23 0.00 0.00 176.35 176.05 1o95 s LEU 93 N -0.80 2.50 -0.01 1.79 1.02 -0.79 -0.12 118.68 122.26 1o95 s LEU 93 Ca 0.12 -0.96 -0.30 0.00 0.02 0.00 0.00 54.13 53.01 1o95 s LEU 93 Cb -0.11 -0.41 -0.05 0.00 0.02 0.00 0.00 46.19 45.64 1o95 s LEU 93 CO 0.01 -0.27 1.44 -2.16 0.02 0.00 0.00 176.35 175.39 1o95 s PRO 94 N -3.46 4.26 -0.97 1.29 0.04 -1.26 -2.04 135.00 132.85 1o95 s PRO 94 Ca 0.15 2.00 -0.25 0.00 0.04 0.00 0.00 61.00 62.94 1o95 s PRO 94 Cb 0.00 -3.64 -0.21 0.00 0.04 0.00 0.00 34.50 30.69 1o95 s PRO 94 CO 0.02 -0.63 2.08 1.58 0.04 0.00 0.00 177.00 180.09 1o95 n HIS 95 N 5.71 0.86 -4.55 0.56 -0.00 -0.44 -4.56 115.22 112.80 1o95 n HIS 95 Ca 0.14 -0.13 -0.26 0.00 0.46 0.00 0.00 57.72 57.94 1o95 n HIS 95 Cb 0.43 -2.45 -0.10 0.00 -0.12 0.00 0.00 29.99 27.75 1o95 n HIS 95 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1o95 s SER 96 N 8.22 3.07 0.18 0.26 1.04 -1.26 -4.76 113.70 120.45 1o95 s SER 96 Ca 0.78 -1.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.68 1o95 s SER 96 Cb -0.07 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.18 1o95 s SER 96 CO 0.17 -0.66 1.55 0.58 0.98 0.00 0.00 173.24 175.85 1o95 h VAL 97 N 1.86 1.28 0.00 5.02 2.07 -2.01 0.33 116.25 124.80 1o95 h VAL 97 Ca -0.41 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 1o95 h VAL 97 Cb 1.26 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1o95 h VAL 97 CO 0.71 0.49 -0.04 0.44 0.02 0.00 0.00 177.57 179.19 1o95 h ASP 98 N 0.67 0.00 0.00 0.57 3.32 -1.96 -3.31 116.42 115.72 1o95 h ASP 98 Ca 0.07 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1o95 h ASP 98 Cb 0.89 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1o95 h ASP 98 CO 0.08 0.04 -0.97 0.28 -1.72 0.00 0.00 179.24 176.95 1o95 h SER 99 N 0.00 0.00 -0.67 6.45 0.02 -0.75 -3.30 113.55 115.29 1o95 h SER 99 Ca -0.00 -0.49 0.28 0.00 -0.84 0.00 0.00 61.79 60.74 1o95 h SER 99 Cb 0.10 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.52 1o95 h SER 99 CO 0.01 1.30 0.36 0.18 -1.14 0.00 0.00 176.83 177.53 1o95 n LEU 100 N -4.49 0.23 0.00 5.07 4.77 0.48 -0.34 117.00 122.71 1o95 n LEU 100 Ca -0.25 1.11 0.04 0.00 -0.03 0.00 0.00 56.01 56.88 1o95 n LEU 100 Cb 0.58 -0.54 0.21 0.00 -2.33 0.00 0.00 43.42 41.34 1o95 n LEU 100 CO 0.19 -1.24 0.52 0.61 -1.33 0.00 0.00 177.39 176.13 1o95 n GLY 101 N -1.18 -0.41 0.00 -0.72 0.00 -1.24 -4.18 105.19 97.46 1o95 n GLY 101 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1o95 n GLY 101 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1o95 n TYR 102 N -1.16 0.00 -0.19 1.61 0.18 -0.00 -4.83 117.16 112.77 1o95 n TYR 102 Ca 0.05 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.78 1o95 n TYR 102 Cb 0.05 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.96 1o95 n TYR 102 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1o95 n ALA 103 N -0.07 -0.29 0.29 -3.48 0.00 0.53 -1.97 120.51 115.52 1o95 n ALA 103 Ca 0.00 0.39 0.18 0.00 0.00 0.00 0.00 53.44 54.01 1o95 n ALA 103 Cb 0.00 0.16 0.87 0.00 0.00 0.00 0.00 19.45 20.48 1o95 n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1o95 h SER 104 N 0.00 0.00 0.54 0.00 4.64 -1.80 -0.19 113.55 116.73 1o95 h SER 104 Ca 0.07 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.10 1o95 h SER 104 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1o95 h SER 104 CO -0.43 0.00 -1.31 0.77 -0.87 0.00 0.00 176.83 174.99 1o95 h SER 105 N 0.00 0.54 -0.06 4.97 4.64 -1.74 -2.62 113.55 119.27 1o95 h SER 105 Ca 0.00 -0.57 0.02 0.00 -0.47 0.00 0.00 61.79 60.76 1o95 h SER 105 Cb 0.17 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1o95 h SER 105 CO 0.00 1.45 0.17 0.25 -0.87 0.00 0.00 176.83 177.83 1o95 h LEU 106 N 0.09 0.00 0.01 5.97 5.85 -0.59 -2.65 115.31 124.00 1o95 h LEU 106 Ca -0.17 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.22 1o95 h LEU 106 Cb 2.03 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.00 1o95 h LEU 106 CO 0.22 0.00 -2.03 0.00 -0.34 0.00 0.00 178.44 176.29 1o95 n ALA 107 N -2.12 1.44 -0.04 1.25 0.00 -1.10 -4.27 120.51 115.67 1o95 n ALA 107 Ca -0.01 -0.98 -0.15 0.00 0.00 0.00 0.00 53.44 52.30 1o95 n ALA 107 Cb 0.25 -0.54 -0.08 0.00 0.00 0.00 0.00 19.45 19.07 1o95 n ALA 107 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1o95 h SER 108 N 0.01 0.48 1.12 0.00 0.02 -1.11 -3.17 113.55 110.90 1o95 h SER 108 Ca -0.41 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 1o95 h SER 108 Cb 2.09 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1o95 h SER 108 CO 0.05 1.01 0.00 0.11 -1.14 0.00 0.00 176.83 176.86 1o95 h LYS 109 N -0.02 0.00 0.00 3.45 1.57 -1.72 -3.42 116.57 116.44 1o95 h LYS 109 Ca -0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1o95 h LYS 109 Cb 0.97 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 1o95 h LYS 109 CO 0.07 0.00 -1.88 0.25 -0.57 0.00 0.00 179.45 177.32 1o95 n THR 110 N -3.06 0.73 -2.13 -0.16 -2.24 -1.20 -4.99 114.28 101.24 1o95 n THR 110 Ca 0.01 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 1o95 n THR 110 Cb 0.33 -0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 1o95 n THR 110 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1o95 s GLY 111 N -4.46 1.69 0.65 3.38 0.00 -1.26 -5.09 107.32 102.22 1o95 s GLY 111 Ca -0.06 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 45.46 1o95 s GLY 111 CO 0.57 2.73 1.04 -0.19 0.00 0.00 0.00 173.10 177.26 1o95 s TYR 112 N 3.03 3.46 0.51 1.90 2.02 -1.25 -4.96 117.35 122.07 1o95 s TYR 112 Ca 0.67 1.30 -0.22 0.00 -0.37 0.00 0.00 57.07 58.46 1o95 s TYR 112 Cb -0.32 -2.79 -0.06 0.00 -0.40 0.00 0.00 41.96 38.38 1o95 s TYR 112 CO 0.27 -0.88 1.28 0.20 -1.57 0.00 0.00 175.55 174.84 1o95 s GLY 113 N -4.09 2.84 -0.06 0.71 0.00 -1.08 -4.89 107.32 100.76 1o95 s GLY 113 Ca 0.56 1.16 -0.09 0.00 0.00 0.00 0.00 44.72 46.36 1o95 s GLY 113 CO 0.54 1.66 0.22 -0.12 0.00 0.00 0.00 173.10 175.40 1o95 s PHE 114 N -1.41 -0.19 -0.10 1.90 5.36 -1.25 -0.50 117.98 121.78 1o95 s PHE 114 Ca 0.68 0.43 -0.26 0.00 -0.96 0.00 0.00 56.93 56.82 1o95 s PHE 114 Cb -0.35 0.06 0.06 0.00 -0.34 0.00 0.00 43.02 42.45 1o95 s PHE 114 CO 0.42 -0.19 0.61 0.00 -1.46 0.00 0.00 175.22 174.60 1o95 s ALA 115 N -0.35 -1.56 0.45 11.12 0.00 -0.40 -4.98 121.76 126.04 1o95 s ALA 115 Ca -0.05 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.28 1o95 s ALA 115 Cb -0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1o95 s ALA 115 CO 0.01 -0.33 0.01 0.95 0.00 0.00 0.00 175.76 176.40 1o95 s THR 116 N -0.72 1.56 -1.50 0.00 -4.23 -1.26 -2.29 115.64 107.19 1o95 s THR 116 Ca -0.08 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1o95 s THR 116 Cb -0.02 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.21 1o95 s THR 116 CO 0.06 0.00 0.10 -0.67 -0.54 0.00 0.00 174.62 173.58 1o95 n ASP 117 N -1.09 0.35 -4.72 3.99 2.03 -1.15 -4.89 116.55 111.07 1o95 n ASP 117 Ca -0.11 -1.26 -0.40 0.00 0.52 0.00 0.00 54.79 53.55 1o95 n ASP 117 Cb 0.67 -1.73 -0.05 0.00 -0.72 0.00 0.00 41.12 39.29 1o95 n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1o95 s VAL 118 N -4.27 5.04 0.00 5.18 1.01 -0.44 -4.48 120.40 122.44 1o95 s VAL 118 Ca 0.05 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1o95 s VAL 118 Cb -0.03 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1o95 s VAL 118 CO 0.99 0.25 0.28 0.00 0.00 0.00 0.00 175.10 176.62 1o95 n TYR 119 N 3.75 0.00 -4.01 5.22 0.18 -0.72 -0.68 117.16 120.90 1o95 n TYR 119 Ca -0.01 -0.02 -0.11 0.00 1.88 0.00 0.00 57.90 59.64 1o95 n TYR 119 Cb 0.51 -0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.35 1o95 n TYR 119 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1o95 s ILE 120 N -0.04 0.27 -0.28 -3.48 1.01 -1.07 -4.94 121.20 112.67 1o95 s ILE 120 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 1o95 s ILE 120 Cb 0.00 -0.36 0.13 0.00 0.01 0.00 0.00 42.46 42.24 1o95 s ILE 120 CO 0.00 -0.34 0.61 0.54 0.00 0.00 0.00 174.94 175.75 1o95 s VAL 121 N -1.13 -0.95 0.05 2.92 0.11 -1.25 0.80 120.40 120.94 1o95 s VAL 121 Ca -0.10 0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1o95 s VAL 121 Cb -0.08 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1o95 s VAL 121 CO -0.00 0.01 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.96 1o95 s GLU 122 N 2.86 1.39 0.32 1.54 2.02 0.62 -4.90 118.70 122.56 1o95 s GLU 122 Ca -0.05 -0.97 -0.27 0.00 0.02 0.00 0.00 54.97 53.70 1o95 s GLU 122 Cb -0.12 -1.53 -0.09 0.00 0.10 0.00 0.00 34.13 32.49 1o95 s GLU 122 CO -0.18 0.39 1.06 0.71 0.02 0.00 0.00 175.26 177.25 1o95 s TYR 123 N -0.83 3.50 -0.36 1.61 1.51 -1.26 0.34 117.35 121.86 1o95 s TYR 123 Ca 0.08 1.71 0.02 0.00 -1.01 0.00 0.00 57.07 57.86 1o95 s TYR 123 Cb -0.09 -3.17 0.15 0.00 -0.11 0.00 0.00 41.96 38.74 1o95 s TYR 123 CO 0.02 -0.44 0.31 -0.65 -1.11 0.00 0.00 175.55 173.69 1o95 s GLN 124 N -1.86 0.59 6.34 -0.62 -0.21 -0.29 -4.90 119.66 118.70 1o95 s GLN 124 Ca 0.50 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1o95 s GLN 124 Cb -0.27 -0.92 0.00 0.00 1.00 0.00 0.00 33.01 32.82 1o95 s GLN 124 CO 0.34 -1.19 0.00 0.41 -2.12 0.00 0.00 175.29 172.73 1o95 n GLY 125 N 4.23 1.87 1.14 3.09 0.00 -1.26 -2.41 105.19 111.85 1o95 n GLY 125 Ca 0.11 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1o95 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o95 n ASP 126 N 8.40 3.78 -4.66 1.61 8.00 -1.26 -4.97 116.55 127.45 1o95 n ASP 126 Ca 0.00 -2.15 -0.42 0.00 0.71 0.00 0.00 54.79 52.93 1o95 n ASP 126 Cb 0.00 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 1o95 n ASP 126 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1o95 s GLU 127 N -1.28 4.26 -0.13 -1.24 2.56 -1.01 -5.03 118.70 116.82 1o95 s GLU 127 Ca 0.41 1.14 -0.29 0.00 0.00 0.00 0.00 54.97 56.22 1o95 s GLU 127 Cb 0.23 -3.62 -0.01 0.00 2.00 0.00 0.00 34.13 32.74 1o95 s GLU 127 CO 0.24 -0.49 1.04 -1.17 -0.56 0.00 0.00 175.26 174.33 1o95 s LEU 128 N 2.70 4.21 -0.29 2.70 2.96 -1.26 -1.14 118.68 128.56 1o95 s LEU 128 Ca 0.40 1.53 0.01 0.00 -0.22 0.00 0.00 54.13 55.85 1o95 s LEU 128 Cb -0.16 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.04 1o95 s LEU 128 CO 0.09 -0.53 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.87 1o95 s VAL 129 N 2.38 2.52 -0.15 1.68 1.01 1.02 -4.05 120.40 124.82 1o95 s VAL 129 Ca 0.48 -1.67 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 1o95 s VAL 129 Cb -0.18 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1o95 s VAL 129 CO 0.15 -0.17 0.20 0.00 0.00 0.00 0.00 175.10 175.29 1o95 s ALA 130 N 1.13 3.72 -0.13 5.51 0.00 -0.99 0.23 121.76 131.22 1o95 s ALA 130 Ca -0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1o95 s ALA 130 Cb -0.20 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1o95 s ALA 130 CO -0.04 0.30 0.06 0.99 0.00 0.00 0.00 175.76 177.06 1o95 s THR 131 N -0.13 4.77 0.31 0.00 2.01 0.24 -1.80 115.64 121.04 1o95 s THR 131 Ca 0.13 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.10 1o95 s THR 131 Cb -0.12 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1o95 s THR 131 CO 0.02 0.56 0.09 0.00 -0.69 0.00 0.00 174.62 174.60 1o95 s ARG 132 N -0.44 1.58 0.60 4.92 1.70 0.17 -1.75 118.95 125.73 1o95 s ARG 132 Ca 0.10 -1.89 -0.06 0.00 -0.47 0.00 0.00 55.73 53.41 1o95 s ARG 132 Cb -0.12 -0.51 0.01 0.00 -0.57 0.00 0.00 34.95 33.76 1o95 s ARG 132 CO 0.02 -0.29 0.92 0.20 -1.08 0.00 0.00 175.30 175.06 1o95 s GLY 133 N -3.42 1.61 0.07 3.88 0.00 -1.26 0.12 107.32 108.31 1o95 s GLY 133 Ca 0.35 -0.67 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 1o95 s GLY 133 CO 0.15 -0.38 0.01 -0.32 0.00 0.00 0.00 173.10 172.56 1o95 s GLY 134 N -4.31 0.49 -1.43 0.20 0.00 -1.12 -4.41 107.32 96.73 1o95 s GLY 134 Ca 0.54 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1o95 s GLY 134 CO 0.46 -1.25 0.39 -1.72 0.00 0.00 0.00 173.10 170.97 1o95 n TYR 135 N 0.06 -1.61 -3.28 1.90 4.02 -1.26 -0.83 117.16 116.16 1o95 n TYR 135 Ca -0.13 0.74 -0.15 0.00 -0.01 0.00 0.00 57.90 58.34 1o95 n TYR 135 Cb 0.62 -3.62 0.08 0.00 -0.02 0.00 0.00 39.34 36.39 1o95 n TYR 135 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1o95 n ASN 136 N -2.97 -4.45 0.00 7.72 5.15 -1.26 -2.58 115.26 116.87 1o95 n ASN 136 Ca -0.30 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 1o95 n ASN 136 Cb 0.68 -5.03 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 1o95 n ASN 136 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o95 n GLN 137 N -3.57 -1.06 -0.08 1.20 1.13 -0.09 -4.88 117.38 110.03 1o95 n GLN 137 Ca -0.17 0.27 0.09 0.00 -1.94 0.00 0.00 57.00 55.25 1o95 n GLN 137 Cb 0.64 -4.37 0.36 0.00 0.11 0.00 0.00 30.24 26.97 1o95 n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1o95 n LYS 138 N -0.58 1.63 -4.13 -1.09 5.02 -0.01 -4.76 118.16 114.25 1o95 n LYS 138 Ca 0.00 -0.96 -0.13 0.00 -2.02 0.00 0.00 58.31 55.20 1o95 n LYS 138 Cb 0.27 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 1o95 n LYS 138 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1o95 s VAL 139 N -1.78 0.00 0.01 -0.18 -7.23 -1.22 -5.02 120.40 104.98 1o95 s VAL 139 Ca 0.30 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1o95 s VAL 139 Cb 0.16 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1o95 s VAL 139 CO 0.23 0.00 0.23 0.20 -0.31 0.00 0.00 175.10 175.46 1o95 s ASN 140 N -3.18 6.43 -0.19 4.85 -0.87 -1.26 -2.79 114.94 117.94 1o95 s ASN 140 Ca 0.33 0.45 -0.01 0.00 -1.57 0.00 0.00 52.86 52.06 1o95 s ASN 140 Cb 0.02 -2.05 0.00 0.00 -0.02 0.00 0.00 41.25 39.21 1o95 s ASN 140 CO 0.16 0.24 -0.12 -0.69 -2.57 0.00 0.00 177.10 174.12 1o95 s VAL 141 N -1.34 2.82 -0.28 1.60 1.01 0.31 -4.83 120.40 119.69 1o95 s VAL 141 Ca 0.29 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1o95 s VAL 141 Cb -0.13 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1o95 s VAL 141 CO 0.18 0.48 0.08 -1.61 0.00 0.00 0.00 175.10 174.24 1o95 s GLU 142 N 1.20 3.37 0.04 2.72 2.02 -1.26 0.44 118.70 127.23 1o95 s GLU 142 Ca 0.02 -0.67 0.04 0.00 0.02 0.00 0.00 54.97 54.37 1o95 s GLU 142 Cb -0.14 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 1o95 s GLU 142 CO -0.05 -0.33 -0.11 0.14 0.02 0.00 0.00 175.26 174.94 1o95 s VAL 143 N 1.57 0.82 0.34 2.63 -7.23 -0.74 -5.04 120.40 112.74 1o95 s VAL 143 Ca 0.05 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.26 1o95 s VAL 143 Cb -0.16 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.99 1o95 s VAL 143 CO 0.03 -0.14 0.02 -0.90 -0.31 0.00 0.00 175.10 173.80 1o95 n ASP 144 N 1.81 2.62 -3.04 4.85 5.68 -1.26 -2.36 116.55 124.85 1o95 n ASP 144 Ca -0.19 -2.52 -0.23 0.00 -0.50 0.00 0.00 54.79 51.35 1o95 n ASP 144 Cb 0.55 0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 40.83 1o95 n ASP 144 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1o95 n PHE 145 N -0.82 2.30 -1.70 2.11 3.01 -1.26 -5.05 117.46 116.05 1o95 n PHE 145 Ca -0.12 -3.88 -0.63 0.00 1.01 0.00 0.00 57.45 53.82 1o95 n PHE 145 Cb 0.44 -0.45 -0.09 0.00 -0.01 0.00 0.00 39.48 39.37 1o95 n PHE 145 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1o95 n PRO 146 N -0.02 0.35 -0.43 -1.08 -0.01 -1.26 -2.18 135.00 130.37 1o95 n PRO 146 Ca 0.28 0.13 0.00 0.00 -0.01 0.00 0.00 63.50 63.90 1o95 n PRO 146 Cb 0.52 -1.68 0.00 0.00 -0.01 0.00 0.00 33.50 32.33 1o95 n PRO 146 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1o95 n GLY 147 N 3.60 0.32 3.55 -1.23 0.00 -1.26 -4.93 105.19 105.24 1o95 n GLY 147 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1o95 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o95 s LYS 148 N -0.56 2.49 0.43 1.61 -0.14 -0.93 -4.90 119.74 117.74 1o95 s LYS 148 Ca 0.00 0.71 0.29 0.00 -1.36 0.00 0.00 55.97 55.61 1o95 s LYS 148 Cb 0.00 -4.48 1.15 0.00 -1.68 0.00 0.00 37.83 32.82 1o95 s LYS 148 CO 0.00 -2.92 1.86 0.77 -0.76 0.00 0.00 175.35 174.30 1o95 h SER 149 N 15.63 0.00 -4.06 2.83 0.02 -1.91 -3.40 113.55 122.65 1o95 h SER 149 Ca -0.23 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.37 1o95 h SER 149 Cb 1.17 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.43 1o95 h SER 149 CO 1.20 0.00 -0.76 -0.89 -1.14 0.00 0.00 176.83 175.24 1o95 s THR 150 N -3.49 0.58 -0.10 -2.27 2.01 -1.26 -4.22 115.64 106.89 1o95 s THR 150 Ca 0.03 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 1o95 s THR 150 Cb 0.09 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1o95 s THR 150 CO 0.50 0.09 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.77 1o95 s VAL 151 N -0.32 0.94 -0.21 3.82 1.01 -1.11 -2.62 120.40 121.91 1o95 s VAL 151 Ca 0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 1o95 s VAL 151 Cb -0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1o95 s VAL 151 CO -0.00 0.35 0.49 -0.69 0.00 0.00 0.00 175.10 175.25 1o95 s VAL 152 N 1.64 5.12 -0.07 2.92 1.01 0.34 -1.54 120.40 129.83 1o95 s VAL 152 Ca 0.03 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.95 1o95 s VAL 152 Cb -0.13 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1o95 s VAL 152 CO -0.07 0.18 -0.20 -0.76 0.00 0.00 0.00 175.10 174.25 1o95 s LEU 153 N 1.63 2.35 -0.08 3.92 1.43 -0.89 -1.28 118.68 125.77 1o95 s LEU 153 Ca 0.23 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1o95 s LEU 153 Cb -0.15 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1o95 s LEU 153 CO 0.09 0.26 0.25 0.42 0.23 0.00 0.00 176.35 177.60 1o95 s THR 154 N -0.25 5.32 -0.08 5.49 -4.23 -0.97 -1.88 115.64 119.04 1o95 s THR 154 Ca -0.00 0.46 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1o95 s THR 154 Cb -0.13 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1o95 s THR 154 CO 0.03 0.58 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.86 1o95 s ILE 155 N -0.89 1.72 0.01 2.99 -1.09 -0.86 -1.33 121.20 121.75 1o95 s ILE 155 Ca 0.18 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 57.46 1o95 s ILE 155 Cb -0.14 -1.49 -0.08 0.00 -1.58 0.00 0.00 42.46 39.17 1o95 s ILE 155 CO 0.07 0.49 1.86 -0.60 -1.23 0.00 0.00 174.94 175.53 1o95 s ARG 156 N 0.29 4.16 0.82 2.79 3.52 0.14 -1.32 118.95 129.35 1o95 s ARG 156 Ca -0.13 2.48 -0.11 0.00 -0.13 0.00 0.00 55.73 57.84 1o95 s ARG 156 Cb -0.16 -4.08 0.09 0.00 -1.56 0.00 0.00 34.95 29.25 1o95 s ARG 156 CO 0.06 -0.91 1.12 -1.25 -0.81 0.00 0.00 175.30 173.51 1o95 s PRO 157 N 4.23 1.75 -1.85 5.12 0.04 -1.26 -2.56 135.00 140.47 1o95 s PRO 157 Ca 0.83 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1o95 s PRO 157 Cb -0.40 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1o95 s PRO 157 CO 0.37 -2.06 0.00 0.43 0.04 0.00 0.00 177.00 175.78 1o95 n SER 158 N -3.71 -5.33 0.00 6.66 7.64 -1.26 -4.84 113.62 112.78 1o95 n SER 158 Ca 0.11 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1o95 n SER 158 Cb 0.52 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1o95 n SER 158 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1o95 n VAL 159 N -3.04 0.00 -2.79 0.44 0.31 -1.06 -5.02 118.33 107.17 1o95 n VAL 159 Ca -0.20 0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 64.14 1o95 n VAL 159 Cb 0.64 -1.39 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 1o95 n VAL 159 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1o95 s PHE 160 N -0.86 3.40 0.01 3.52 0.40 -1.26 -4.98 117.98 118.21 1o95 s PHE 160 Ca 0.00 1.36 -0.30 0.00 -0.60 0.00 0.00 56.93 57.39 1o95 s PHE 160 Cb 0.00 -3.12 -0.07 0.00 0.51 0.00 0.00 43.02 40.33 1o95 s PHE 160 CO 0.00 -0.33 1.77 -1.59 0.70 0.00 0.00 175.22 175.78 1o95 s LYS 161 N 2.51 4.17 1.14 0.44 0.00 -1.26 -4.46 119.74 122.28 1o95 s LYS 161 Ca 0.41 2.38 -0.15 0.00 0.00 0.00 0.00 55.97 58.62 1o95 s LYS 161 Cb -0.16 -3.96 0.21 0.00 0.00 0.00 0.00 37.83 33.92 1o95 s LYS 161 CO 0.11 -0.86 0.62 -0.35 0.00 0.00 0.00 175.35 174.87 1o95 n PRO 162 N 6.92 -2.02 -2.93 1.78 -0.04 -1.26 -4.67 135.00 132.78 1o95 n PRO 162 Ca 0.18 -0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 62.74 1o95 n PRO 162 Cb 0.42 -1.99 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1o95 n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1o95 s LEU 163 N -4.78 4.07 0.46 1.53 1.43 -1.26 -4.93 118.68 115.19 1o95 s LEU 163 Ca 0.63 1.58 -0.15 0.00 -1.03 0.00 0.00 54.13 55.16 1o95 s LEU 163 Cb -0.20 -4.25 -0.08 0.00 0.03 0.00 0.00 46.19 41.69 1o95 s LEU 163 CO 0.65 -0.24 0.89 -1.83 0.23 0.00 0.00 176.35 176.06 1o95 s GLU 164 N -2.85 3.92 0.13 1.70 4.04 -1.26 -4.79 118.70 119.60 1o95 s GLU 164 Ca 0.56 0.79 0.00 0.00 0.04 0.00 0.00 54.97 56.36 1o95 s GLU 164 Cb -0.11 -2.25 0.00 0.00 0.02 0.00 0.00 34.13 31.79 1o95 s GLU 164 CO 0.17 -0.14 0.00 0.41 -1.84 0.00 0.00 175.26 173.86 1o95 n GLY 165 N -1.30 -2.57 0.00 -3.83 0.00 -1.26 -4.40 105.19 91.82 1o95 n GLY 165 Ca 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1o95 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o95 n ALA 166 N -2.56 0.00 -3.60 4.61 0.00 -1.26 -0.66 120.51 117.03 1o95 n ALA 166 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1o95 n ALA 166 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 1o95 n ALA 166 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o95 s GLY 167 N -2.01 -0.35 -0.53 0.00 0.00 -1.14 -3.12 107.32 100.18 1o95 s GLY 167 Ca 0.00 1.08 0.07 0.00 0.00 0.00 0.00 44.72 45.87 1o95 s GLY 167 CO 0.00 0.32 0.73 1.44 0.00 0.00 0.00 173.10 175.60 1o95 n SER 168 N -0.27 2.60 -4.71 1.64 7.64 -1.26 -4.29 113.62 114.96 1o95 n SER 168 Ca -0.04 -3.25 -0.43 0.00 1.01 0.00 0.00 58.87 56.16 1o95 n SER 168 Cb 0.60 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 1o95 n SER 168 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1o95 n PRO 169 N 0.67 2.44 -1.53 1.43 -0.04 -1.24 -4.91 135.00 131.82 1o95 n PRO 169 Ca 0.27 0.87 -0.32 0.00 -0.04 0.00 0.00 63.50 64.28 1o95 n PRO 169 Cb 0.47 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.23 1o95 n PRO 169 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1o95 n VAL 170 N 2.12 -0.03 -3.25 0.52 0.31 -1.17 -4.80 118.33 112.03 1o95 n VAL 170 Ca 0.10 -0.46 -0.38 0.00 -0.01 0.00 0.00 64.34 63.59 1o95 n VAL 170 Cb 0.34 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.68 1o95 n VAL 170 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1o95 s VAL 171 N 9.94 5.15 0.23 2.52 1.01 -1.26 -1.49 120.40 136.50 1o95 s VAL 171 Ca 1.14 1.07 0.05 0.00 0.00 0.00 0.00 61.98 64.24 1o95 s VAL 171 Cb -0.61 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1o95 s VAL 171 CO 0.35 0.30 -0.04 -0.94 0.00 0.00 0.00 175.10 174.77 1o95 s SER 172 N 0.69 2.11 0.11 3.32 1.04 -0.18 -4.96 113.70 115.83 1o95 s SER 172 Ca 0.29 -1.16 0.10 0.00 0.48 0.00 0.00 55.95 55.65 1o95 s SER 172 Cb -0.16 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1o95 s SER 172 CO 0.12 -0.41 -0.23 0.20 0.98 0.00 0.00 173.24 173.89 1o95 s ASN 173 N -3.32 3.55 -0.18 7.02 0.01 -1.26 -0.08 114.94 120.67 1o95 s ASN 173 Ca 0.26 -0.65 -0.15 0.00 -0.71 0.00 0.00 52.86 51.62 1o95 s ASN 173 Cb 0.04 -0.37 0.05 0.00 0.41 0.00 0.00 41.25 41.38 1o95 s ASN 173 CO 0.08 0.19 0.47 0.68 -1.51 0.00 0.00 177.10 177.01 1o95 s VAL 174 N -1.06 -0.01 0.26 1.60 -7.23 -0.13 -4.89 120.40 108.94 1o95 s VAL 174 Ca 0.15 0.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 1o95 s VAL 174 Cb -0.10 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.08 1o95 s VAL 174 CO 0.07 0.01 1.13 -1.81 -0.31 0.00 0.00 175.10 174.19 1o95 s ASP 175 N 0.57 7.20 0.49 4.85 1.01 -1.26 -3.13 116.67 126.40 1o95 s ASP 175 Ca -0.03 2.28 -0.23 0.00 0.71 0.00 0.00 52.55 55.28 1o95 s ASP 175 Cb -0.04 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 1o95 s ASP 175 CO -0.03 -0.22 1.29 0.00 0.21 0.00 0.00 175.17 176.42 1o95 s ALA 176 N -0.86 2.95 -0.19 5.23 0.00 -0.28 -4.91 121.76 123.69 1o95 s ALA 176 Ca 0.47 1.19 -0.38 0.00 0.00 0.00 0.00 51.96 53.24 1o95 s ALA 176 Cb -0.32 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.15 1o95 s ALA 176 CO 0.41 -1.05 1.72 -2.30 0.00 0.00 0.00 175.76 174.53 1o95 n PRO 177 N -0.65 1.37 -1.00 0.00 -0.02 -1.26 -4.81 135.00 128.63 1o95 n PRO 177 Ca 0.08 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 1o95 n PRO 177 Cb 0.46 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1o95 n PRO 177 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1o95 n SER 178 N 5.23 1.72 -3.92 2.55 7.64 -1.26 -4.86 113.62 120.72 1o95 n SER 178 Ca 0.25 -2.57 -0.29 0.00 1.01 0.00 0.00 58.87 57.27 1o95 n SER 178 Cb 0.17 -0.98 -0.16 0.00 -1.01 0.00 0.00 64.21 62.23 1o95 n SER 178 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1o95 s VAL 179 N 8.17 1.23 -0.30 0.44 1.01 -1.26 -5.12 120.40 124.58 1o95 s VAL 179 Ca 0.67 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 1o95 s VAL 179 Cb 0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1o95 s VAL 179 CO 0.24 0.19 1.96 -1.10 0.00 0.00 0.00 175.10 176.38 1o95 s GLN 180 N 1.59 3.23 0.19 2.72 -1.52 -1.26 -4.85 119.66 119.76 1o95 s GLN 180 Ca 0.01 1.63 -0.25 0.00 -1.95 0.00 0.00 55.36 54.80 1o95 s GLN 180 Cb -0.15 -4.27 -0.15 0.00 -0.22 0.00 0.00 33.01 28.22 1o95 s GLN 180 CO -0.08 -1.98 0.45 0.45 -0.25 0.00 0.00 175.29 173.88 1o95 n SER 181 N 10.91 -1.23 -1.04 5.90 2.88 -1.26 -4.82 113.62 124.95 1o95 n SER 181 Ca 0.26 1.01 0.09 0.00 -1.33 0.00 0.00 58.87 58.89 1o95 n SER 181 Cb 0.46 -0.86 0.25 0.00 -0.75 0.00 0.00 64.21 63.31 1o95 n SER 181 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1o95 n ARG 182 N 0.93 2.35 -4.28 -1.46 1.74 -1.26 -4.85 116.66 109.83 1o95 n ARG 182 Ca 0.16 -2.00 -0.26 0.00 -0.77 0.00 0.00 57.85 54.98 1o95 n ARG 182 Cb 0.24 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1o95 n ARG 182 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1o95 n SER 183 N 1.08 2.38 -3.34 0.55 3.41 -1.26 -5.16 113.62 111.28 1o95 n SER 183 Ca 0.18 -2.96 -0.12 0.00 -0.26 0.00 0.00 58.87 55.71 1o95 n SER 183 Cb 0.49 0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 1o95 n SER 183 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1o95 s GLN 184 N -3.53 0.46 0.30 4.33 2.00 -1.26 -5.12 119.66 116.85 1o95 s GLN 184 Ca 0.08 -0.20 -0.28 0.00 -2.00 0.00 0.00 55.36 52.96 1o95 s GLN 184 Cb 0.00 -0.48 -0.13 0.00 0.80 0.00 0.00 33.01 33.20 1o95 s GLN 184 CO 0.06 -1.08 1.13 0.09 -0.50 0.00 0.00 175.29 174.98 1o95 n ASN 185 N 5.03 1.87 0.00 6.67 3.02 -1.26 -4.97 115.26 125.62 1o95 n ASN 185 Ca 0.03 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 1o95 n ASN 185 Cb 0.48 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1o95 n ASN 185 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1o95 n LYS 186 N 0.75 1.45 -3.01 3.52 4.76 -1.26 -5.11 118.16 119.26 1o95 n LYS 186 Ca 0.08 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.14 1o95 n LYS 186 Cb 0.33 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.46 1o95 n LYS 186 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1o95 s ASP 187 N -0.26 7.29 1.00 4.39 1.01 -1.26 -5.09 116.67 123.75 1o95 s ASP 187 Ca 0.00 1.58 -0.18 0.00 0.71 0.00 0.00 52.55 54.66 1o95 s ASP 187 Cb 0.00 -2.48 0.04 0.00 1.01 0.00 0.00 42.92 41.49 1o95 s ASP 187 CO 0.00 0.16 -0.30 -1.22 0.21 0.00 0.00 175.17 174.02 1o95 n TYR 188 N 1.33 -1.66 -1.10 4.23 4.02 -1.26 -5.30 117.16 117.42 1o95 n TYR 188 Ca -0.05 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 1o95 n TYR 188 Cb 0.49 -1.44 0.00 0.00 -0.02 0.00 0.00 39.34 38.37 1o95 n TYR 188 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18