#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rai s VAL 9 N 0.00 2.39 0.00 0.00 -7.23 -1.26 -4.77 120.40 109.53 1rai s VAL 9 Ca 0.00 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 1rai s VAL 9 Cb 0.00 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1rai s VAL 9 CO 0.00 0.07 0.00 -0.62 -0.31 0.00 0.00 175.10 174.24 1rai n GLU 10 N 1.46 0.00 -3.71 4.82 4.71 -1.26 -4.99 120.64 121.68 1rai n GLU 10 Ca 0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.82 1rai n GLU 10 Cb 0.40 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.77 1rai n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rai s ALA 11 N 0.00 3.80 0.21 0.62 0.00 -1.26 -5.10 121.76 120.03 1rai s ALA 11 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 51.96 51.62 1rai s ALA 11 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 1rai s ALA 11 CO 0.00 0.57 -0.23 0.42 0.00 0.00 0.00 175.76 176.52 1rai s ILE 12 N -1.09 2.33 -0.04 0.00 1.01 -1.26 -5.07 121.20 117.10 1rai s ILE 12 Ca 0.20 -2.10 -0.12 0.00 0.00 0.00 0.00 60.65 58.63 1rai s ILE 12 Cb -0.14 -2.14 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 1rai s ILE 12 CO 0.09 -0.19 0.54 0.50 0.00 0.00 0.00 174.94 175.88 1rai h LYS 13 N 3.01 -0.42 -4.75 2.79 3.64 -1.94 -3.38 116.57 115.53 1rai h LYS 13 Ca -0.45 0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 58.62 1rai h LYS 13 Cb 1.22 0.09 -0.24 0.00 -0.41 0.00 0.00 32.23 32.89 1rai h LYS 13 CO 0.51 -0.28 -0.76 -0.98 -2.27 0.00 0.00 179.45 175.67 1rai s ARG 14 N -2.97 0.63 0.00 1.90 1.70 -1.26 -1.70 118.95 117.24 1rai s ARG 14 Ca -0.06 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1rai s ARG 14 Cb 0.01 -0.52 0.00 0.00 -0.57 0.00 0.00 34.95 33.87 1rai s ARG 14 CO 0.19 0.12 0.00 0.41 -1.08 0.00 0.00 175.30 174.94 1rai n GLY 15 N 1.92 -0.52 3.32 3.88 0.00 0.27 -1.08 105.19 112.99 1rai n GLY 15 Ca -0.19 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1rai n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rai s THR 16 N -2.97 2.05 -0.20 2.61 2.01 -0.31 -1.49 115.64 117.35 1rai s THR 16 Ca 0.00 -1.31 0.01 0.00 0.31 0.00 0.00 61.69 60.70 1rai s THR 16 Cb 0.00 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.80 1rai s THR 16 CO 0.00 0.38 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.51 1rai s VAL 17 N -0.77 1.73 -0.19 3.82 1.01 -0.25 -1.19 120.40 124.57 1rai s VAL 17 Ca 0.11 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1rai s VAL 17 Cb -0.10 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1rai s VAL 17 CO 0.01 0.21 0.30 -0.63 0.00 0.00 0.00 175.10 174.99 1rai s ILE 18 N 1.36 5.28 0.23 2.22 1.01 -0.11 -2.19 121.20 129.01 1rai s ILE 18 Ca -0.01 0.53 0.08 0.00 0.00 0.00 0.00 60.65 61.25 1rai s ILE 18 Cb -0.16 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1rai s ILE 18 CO -0.09 0.34 -0.14 -0.62 0.00 0.00 0.00 174.94 174.43 1rai s ASP 19 N 0.76 2.75 -1.40 3.58 -1.08 -1.14 -1.40 116.67 118.73 1rai s ASP 19 Ca 0.16 -1.05 -0.08 0.00 -0.52 0.00 0.00 52.55 51.05 1rai s ASP 19 Cb -0.14 -0.16 0.04 0.00 -1.46 0.00 0.00 42.92 41.20 1rai s ASP 19 CO 0.05 -0.17 1.03 1.57 0.52 0.00 0.00 175.17 178.17 1rai n HIS 20 N -0.45 -2.46 -2.65 -5.34 -0.00 -1.19 -2.92 115.22 100.20 1rai n HIS 20 Ca -0.07 0.94 -0.42 0.00 0.46 0.00 0.00 57.72 58.63 1rai n HIS 20 Cb 0.61 -4.58 -0.03 0.00 -0.12 0.00 0.00 29.99 25.87 1rai n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1rai s ILE 21 N -3.37 4.71 -0.87 3.57 1.01 -0.90 -4.45 121.20 120.91 1rai s ILE 21 Ca 0.47 1.95 0.00 0.00 0.00 0.00 0.00 60.65 63.07 1rai s ILE 21 Cb -0.22 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.00 1rai s ILE 21 CO 0.78 0.12 0.11 -2.65 0.00 0.00 0.00 174.94 173.30 1rai n PRO 22 N 4.13 0.00 0.00 2.79 -0.02 -1.26 -0.52 135.00 140.11 1rai n PRO 22 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1rai n PRO 22 Cb 0.50 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1rai n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rai n ALA 23 N -0.47 -0.92 -0.01 3.55 0.00 -1.26 -4.81 120.51 116.59 1rai n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rai n ALA 23 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1rai n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rai n GLN 24 N -0.30 0.00 0.07 0.00 3.00 -1.26 -4.46 117.38 114.43 1rai n GLN 24 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1rai n GLN 24 Cb 0.00 -2.24 -0.08 0.00 0.00 0.00 0.00 30.24 27.93 1rai n GLN 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1rai h ILE 25 N 0.00 1.26 -0.85 5.09 1.08 -1.89 -3.36 117.51 118.84 1rai h ILE 25 Ca 0.00 -2.87 0.22 0.00 -0.39 0.00 0.00 64.86 61.82 1rai h ILE 25 Cb 0.00 2.61 -0.15 0.00 -3.07 0.00 0.00 36.82 36.21 1rai h ILE 25 CO 0.00 0.72 0.12 1.23 -0.69 0.00 0.00 178.15 179.53 1rai h GLY 26 N 3.27 1.16 1.65 5.37 0.00 -1.88 0.29 103.07 112.94 1rai h GLY 26 Ca -0.05 0.05 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1rai h GLY 26 CO 0.10 -0.37 -1.24 -2.75 0.00 0.00 0.00 176.54 172.28 1rai h PHE 27 N 0.14 0.11 -0.15 5.60 3.57 -1.96 -3.22 116.94 121.02 1rai h PHE 27 Ca 0.51 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.98 1rai h PHE 27 Cb 1.00 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1rai h PHE 27 CO -0.36 1.08 -0.24 0.87 -2.23 0.00 0.00 178.31 177.43 1rai h LYS 28 N 0.02 -0.28 -0.69 1.11 1.57 -1.16 -2.24 116.57 114.89 1rai h LYS 28 Ca -0.11 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1rai h LYS 28 Cb 1.87 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 34.21 1rai h LYS 28 CO 0.13 -0.19 0.46 -0.07 -0.57 0.00 0.00 179.45 179.21 1rai h LEU 29 N -0.29 0.75 -0.90 2.94 3.38 -1.23 0.10 115.31 120.07 1rai h LEU 29 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1rai h LEU 29 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1rai h LEU 29 CO -0.32 0.53 0.02 -0.07 0.09 0.00 0.00 178.44 178.69 1rai h LEU 30 N 0.88 0.80 0.00 1.67 3.38 -1.42 -1.88 115.31 118.73 1rai h LEU 30 Ca 0.27 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rai h LEU 30 Cb -0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1rai h LEU 30 CO -0.07 0.85 0.00 -1.20 0.09 0.00 0.00 178.44 178.11 1rai n SER 31 N -4.22 0.00 -0.21 -0.43 7.64 -0.62 -2.52 113.62 113.27 1rai n SER 31 Ca 0.03 0.68 -0.00 0.00 1.01 0.00 0.00 58.87 60.59 1rai n SER 31 Cb 0.30 -0.44 0.07 0.00 -1.01 0.00 0.00 64.21 63.14 1rai n SER 31 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rai h LEU 32 N 0.00 -0.49 -1.51 -3.43 3.38 -0.91 -0.34 115.31 112.01 1rai h LEU 32 Ca 0.00 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1rai h LEU 32 Cb 0.00 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1rai h LEU 32 CO 0.00 -0.18 0.00 0.49 0.09 0.00 0.00 178.44 178.84 1rai n PHE 33 N -5.38 0.44 -3.89 1.13 3.72 -0.71 -4.91 117.46 107.85 1rai n PHE 33 Ca 0.08 -0.22 -0.30 0.00 -0.05 0.00 0.00 57.45 56.96 1rai n PHE 33 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1rai n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1rai n LYS 34 N 0.70 -2.24 0.17 -1.08 5.02 -0.14 -4.91 118.16 115.68 1rai n LYS 34 Ca 0.16 0.37 0.07 0.00 -2.02 0.00 0.00 58.31 56.89 1rai n LYS 34 Cb 0.38 -4.16 0.08 0.00 -0.02 0.00 0.00 35.03 31.31 1rai n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rai h LEU 35 N -1.93 0.00 -0.00 -0.35 3.38 -1.73 -3.34 115.31 111.33 1rai h LEU 35 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1rai h LEU 35 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1rai h LEU 35 CO 0.57 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.73 1rai n THR 36 N -3.15 0.36 -1.70 0.22 -2.24 -1.26 -4.48 114.28 102.03 1rai n THR 36 Ca 0.02 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1rai n THR 36 Cb 0.65 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 1rai n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rai n GLU 37 N -1.95 2.42 -3.46 -0.78 1.02 -1.26 -4.73 120.64 111.90 1rai n GLU 37 Ca 0.06 -2.47 -0.11 0.00 -0.02 0.00 0.00 57.16 54.62 1rai n GLU 37 Cb 0.39 -3.24 -0.02 0.00 -0.02 0.00 0.00 31.44 28.55 1rai n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1rai s THR 38 N 4.44 0.00 -1.05 2.62 -1.32 -1.26 -5.05 115.64 114.03 1rai s THR 38 Ca 0.53 -0.07 0.19 0.00 -1.21 0.00 0.00 61.69 61.13 1rai s THR 38 Cb 0.12 -1.08 -0.18 0.00 -1.51 0.00 0.00 72.50 69.85 1rai s THR 38 CO 0.01 0.00 0.85 0.47 -2.21 0.00 0.00 174.62 173.74 1rai n ASP 39 N -0.37 1.05 -4.80 8.08 8.00 -1.26 -4.99 116.55 122.26 1rai n ASP 39 Ca -0.15 -1.03 -0.32 0.00 0.71 0.00 0.00 54.79 54.00 1rai n ASP 39 Cb 0.64 0.93 0.03 0.00 -0.02 0.00 0.00 41.12 42.69 1rai n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rai s GLN 40 N -2.75 3.13 0.12 -1.24 1.11 -1.26 -4.96 119.66 113.81 1rai s GLN 40 Ca 0.09 1.15 -0.31 0.00 0.01 0.00 0.00 55.36 56.29 1rai s GLN 40 Cb 0.15 -2.01 -0.09 0.00 -1.01 0.00 0.00 33.01 30.05 1rai s GLN 40 CO 0.75 -0.96 1.49 0.50 0.01 0.00 0.00 175.29 177.08 1rai s ARG 41 N -4.37 4.26 0.04 2.91 3.52 -1.26 -4.87 118.95 119.19 1rai s ARG 41 Ca 0.62 2.21 0.09 0.00 -0.13 0.00 0.00 55.73 58.52 1rai s ARG 41 Cb -0.16 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1rai s ARG 41 CO 0.43 -0.54 -0.25 0.42 -0.81 0.00 0.00 175.30 174.54 1rai s ILE 42 N 1.34 2.06 -0.03 4.11 1.01 -1.26 -2.04 121.20 126.39 1rai s ILE 42 Ca 0.68 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1rai s ILE 42 Cb -0.40 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1rai s ILE 42 CO 0.31 0.34 0.01 0.42 0.00 0.00 0.00 174.94 176.02 1rai s THR 43 N -0.80 0.16 0.10 2.92 -4.23 -0.39 -4.98 115.64 108.42 1rai s THR 43 Ca 0.11 0.12 0.10 0.00 -1.18 0.00 0.00 61.69 60.84 1rai s THR 43 Cb -0.10 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1rai s THR 43 CO 0.02 0.16 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.37 1rai s ILE 44 N 1.19 2.09 -0.07 2.99 1.01 -1.26 0.53 121.20 127.68 1rai s ILE 44 Ca -0.07 -1.59 0.02 0.00 0.00 0.00 0.00 60.65 59.00 1rai s ILE 44 Cb -0.13 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1rai s ILE 44 CO -0.02 0.14 -0.11 -0.83 0.00 0.00 0.00 174.94 174.12 1rai s GLY 45 N -1.76 0.78 0.02 6.18 0.00 -0.53 -5.01 107.32 107.00 1rai s GLY 45 Ca 0.12 -0.42 0.08 0.00 0.00 0.00 0.00 44.72 44.50 1rai s GLY 45 CO 0.04 0.27 -0.23 1.08 0.00 0.00 0.00 173.10 174.26 1rai s LEU 46 N 0.88 2.12 -1.49 0.66 1.43 -1.26 -2.06 118.68 118.97 1rai s LEU 46 Ca -0.11 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1rai s LEU 46 Cb -0.15 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 44.99 1rai s LEU 46 CO 0.01 0.23 1.01 0.59 0.23 0.00 0.00 176.35 178.43 1rai n ASN 47 N 2.06 -4.90 -4.76 2.29 3.02 -1.05 -4.92 115.26 107.00 1rai n ASN 47 Ca -0.16 -0.73 -0.38 0.00 -0.03 0.00 0.00 54.58 53.27 1rai n ASN 47 Cb 0.52 -4.13 0.01 0.00 -0.61 0.00 0.00 39.78 35.58 1rai n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rai s LEU 48 N -7.25 3.98 0.22 3.41 1.43 0.91 -4.79 118.68 116.59 1rai s LEU 48 Ca 0.61 2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 55.97 1rai s LEU 48 Cb -0.30 -4.19 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 1rai s LEU 48 CO 0.81 -1.17 1.34 -2.16 0.23 0.00 0.00 176.35 175.40 1rai s PRO 49 N -2.70 4.36 -0.43 1.29 0.04 -1.26 -1.01 135.00 135.30 1rai s PRO 49 Ca 0.66 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.87 1rai s PRO 49 Cb -0.35 -3.16 0.19 0.00 0.04 0.00 0.00 34.50 31.22 1rai s PRO 49 CO 0.43 -0.28 0.47 0.43 0.04 0.00 0.00 177.00 178.08 1rai n SER 50 N 2.40 -0.93 -0.25 6.66 7.64 -1.11 -4.71 113.62 123.32 1rai n SER 50 Ca 0.06 -2.58 0.15 0.00 1.01 0.00 0.00 58.87 57.51 1rai n SER 50 Cb 0.42 -0.09 0.44 0.00 -1.01 0.00 0.00 64.21 63.97 1rai n SER 50 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1rai h GLY 51 N 5.09 1.04 1.46 0.23 0.00 -1.94 1.41 103.07 110.36 1rai h GLY 51 Ca 0.17 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1rai h GLY 51 CO 0.33 0.05 0.25 -2.09 0.00 0.00 0.00 176.54 175.08 1rai h GLU 52 N 0.56 0.00 0.00 4.80 4.81 -2.02 -3.34 114.58 119.39 1rai h GLU 52 Ca 0.45 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.58 1rai h GLU 52 Cb 0.88 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.18 1rai h GLU 52 CO -0.19 0.00 -0.14 -1.33 -0.73 0.00 0.00 179.01 176.62 1rai n MET 53 N -3.22 0.74 0.00 1.92 2.81 0.05 -5.09 117.12 114.32 1rai n MET 53 Ca -0.00 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 1rai n MET 53 Cb 0.33 0.20 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 1rai n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rai n GLY 54 N -0.82 2.12 3.59 3.03 0.00 0.46 -4.69 105.19 108.89 1rai n GLY 54 Ca -0.11 0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1rai n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rai s ARG 55 N 0.00 0.90 0.30 1.61 3.52 -1.25 -2.75 118.95 121.28 1rai s ARG 55 Ca 0.00 0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 56.28 1rai s ARG 55 Cb 0.00 0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1rai s ARG 55 CO 0.00 -0.18 0.45 0.36 -0.81 0.00 0.00 175.30 175.12 1rai n LYS 56 N 2.01 0.65 -4.52 5.12 2.85 -0.18 -4.05 118.16 120.04 1rai n LYS 56 Ca -0.16 -2.33 -0.24 0.00 -1.05 0.00 0.00 58.31 54.53 1rai n LYS 56 Cb 0.56 2.31 -0.10 0.00 -0.65 0.00 0.00 35.03 37.15 1rai n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rai s ASP 57 N -2.84 2.90 -0.29 -5.58 1.01 0.32 -0.06 116.67 112.12 1rai s ASP 57 Ca 0.23 -1.42 -0.14 0.00 0.71 0.00 0.00 52.55 51.93 1rai s ASP 57 Cb -0.01 -0.08 0.14 0.00 1.01 0.00 0.00 42.92 43.98 1rai s ASP 57 CO 0.17 -0.61 0.86 -0.22 0.21 0.00 0.00 175.17 175.58 1rai s LEU 58 N -3.58 -0.74 -0.06 1.23 0.20 -0.87 -2.11 118.68 112.75 1rai s LEU 58 Ca 0.33 1.09 0.02 0.00 0.69 0.00 0.00 54.13 56.26 1rai s LEU 58 Cb 0.08 1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 47.75 1rai s LEU 58 CO 0.15 -0.16 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.33 1rai s ILE 59 N 2.10 3.50 -0.14 6.68 1.01 -0.49 -1.46 121.20 132.40 1rai s ILE 59 Ca -0.06 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1rai s ILE 59 Cb -0.06 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1rai s ILE 59 CO -0.17 0.58 -0.19 -0.54 0.00 0.00 0.00 174.94 174.62 1rai s LYS 60 N -0.83 2.71 -0.18 2.79 1.02 0.19 -0.93 119.74 124.50 1rai s LYS 60 Ca 0.12 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.38 1rai s LYS 60 Cb -0.11 -2.27 0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1rai s LYS 60 CO 0.02 -0.08 -0.11 0.42 -0.92 0.00 0.00 175.35 174.67 1rai s ILE 61 N 1.01 1.60 0.12 2.17 1.01 -0.33 -1.26 121.20 125.52 1rai s ILE 61 Ca -0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1rai s ILE 61 Cb -0.15 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1rai s ILE 61 CO -0.04 0.26 0.30 -1.83 0.00 0.00 0.00 174.94 173.63 1rai s GLU 62 N 1.43 3.51 -1.46 2.79 -1.05 -0.86 -1.16 118.70 121.90 1rai s GLU 62 Ca 0.01 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1rai s GLU 62 Cb -0.15 -2.93 0.00 0.00 -0.44 0.00 0.00 34.13 30.60 1rai s GLU 62 CO -0.09 0.52 0.00 0.09 0.95 0.00 0.00 175.26 176.73 1rai n ASN 63 N 0.00 -4.98 -3.86 0.83 3.02 -0.24 -4.63 115.26 105.39 1rai n ASN 63 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.37 1rai n ASN 63 Cb 0.52 -4.07 -0.15 0.00 -0.61 0.00 0.00 39.78 35.47 1rai n ASN 63 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1rai s THR 64 N -2.83 0.11 -0.20 3.41 -4.23 -1.26 -4.97 115.64 105.68 1rai s THR 64 Ca 0.00 -0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1rai s THR 64 Cb 0.00 -0.14 0.04 0.00 1.34 0.00 0.00 72.50 73.74 1rai s THR 64 CO 0.00 0.06 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.69 1rai s PHE 65 N 0.32 2.32 -0.54 3.99 0.08 -1.26 -2.85 117.98 120.04 1rai s PHE 65 Ca -0.03 -1.53 -0.20 0.00 0.12 0.00 0.00 56.93 55.29 1rai s PHE 65 Cb -0.05 -1.59 0.06 0.00 -0.57 0.00 0.00 43.02 40.87 1rai s PHE 65 CO -0.01 -0.73 0.72 -1.17 -0.10 0.00 0.00 175.22 173.93 1rai s LEU 66 N 1.43 4.85 0.29 -0.37 2.96 -1.26 -5.03 118.68 121.54 1rai s LEU 66 Ca -0.01 -0.91 0.04 0.00 -0.22 0.00 0.00 54.13 53.02 1rai s LEU 66 Cb -0.16 -2.48 -0.06 0.00 0.50 0.00 0.00 46.19 43.99 1rai s LEU 66 CO -0.08 -1.03 0.04 -0.44 -1.32 0.00 0.00 176.35 173.52 1rai s SER 67 N 2.95 2.12 1.17 3.68 0.01 -1.26 -4.51 113.70 117.85 1rai s SER 67 Ca 0.18 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1rai s SER 67 Cb -0.19 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1rai s SER 67 CO 0.12 -0.58 0.00 -0.62 0.41 0.00 0.00 173.24 172.57 1rai n GLU 68 N -0.59 0.00 -0.39 12.44 1.02 -1.26 -0.83 120.64 131.03 1rai n GLU 68 Ca -0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.08 1rai n GLU 68 Cb 0.66 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.08 1rai n GLU 68 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1rai h ASP 69 N 0.00 -1.61 -0.52 1.62 2.03 -1.99 -0.82 116.42 115.12 1rai h ASP 69 Ca 0.00 0.32 0.08 0.00 -0.73 0.00 0.00 57.03 56.70 1rai h ASP 69 Cb 0.00 0.80 -0.03 0.00 -0.83 0.00 0.00 39.33 39.27 1rai h ASP 69 CO 0.00 -0.28 0.35 1.56 -1.03 0.00 0.00 179.24 179.85 1rai h GLN 70 N -0.00 0.36 -0.11 4.15 4.20 -1.32 -0.99 115.11 121.39 1rai h GLN 70 Ca 0.30 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.86 1rai h GLN 70 Cb 0.55 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.26 1rai h GLN 70 CO -0.98 0.24 -0.45 0.28 -0.67 0.00 0.00 178.83 177.26 1rai h VAL 71 N 0.37 1.37 0.00 -0.54 2.07 -1.29 -3.30 116.25 114.93 1rai h VAL 71 Ca 0.24 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1rai h VAL 71 Cb 0.45 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1rai h VAL 71 CO -0.06 0.53 -0.11 0.44 0.02 0.00 0.00 177.57 178.40 1rai h ASP 72 N 0.09 0.00 -0.43 0.57 5.19 -0.77 -2.79 116.42 118.28 1rai h ASP 72 Ca -0.02 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.44 1rai h ASP 72 Cb 1.08 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.55 1rai h ASP 72 CO 0.09 0.11 0.15 1.56 -3.12 0.00 0.00 179.24 178.03 1rai h GLN 73 N 0.00 0.31 0.00 3.56 1.08 -1.54 -2.86 115.11 115.66 1rai h GLN 73 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1rai h GLN 73 Cb 0.46 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1rai h GLN 73 CO 0.01 0.20 0.00 -0.07 -0.95 0.00 0.00 178.83 178.03 1rai h LEU 74 N 0.32 0.00 -2.11 1.46 3.38 -1.64 -2.97 115.31 113.75 1rai h LEU 74 Ca 0.20 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1rai h LEU 74 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rai h LEU 74 CO -0.21 0.00 0.02 0.00 0.09 0.00 0.00 178.44 178.35 1rai h ALA 75 N 2.00 1.92 0.00 1.53 0.00 -1.64 0.17 119.26 123.24 1rai h ALA 75 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rai h ALA 75 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rai h ALA 75 CO 0.00 -0.04 -0.20 1.25 0.00 0.00 0.00 179.25 180.26 1rai h LEU 76 N 0.00 0.00 0.00 0.00 5.85 -1.75 -3.25 115.31 116.15 1rai h LEU 76 Ca 0.02 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.37 1rai h LEU 76 Cb 0.06 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1rai h LEU 76 CO -0.00 0.20 -2.25 -1.22 -0.34 0.00 0.00 178.44 174.82 1rai n TYR 77 N -3.52 0.00 -3.20 1.25 4.01 0.13 -4.80 117.16 111.03 1rai n TYR 77 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 1rai n TYR 77 Cb 0.35 -0.81 -0.06 0.00 -0.31 0.00 0.00 39.34 38.52 1rai n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rai n ALA 78 N -3.86 3.42 0.32 -0.72 0.00 0.38 -4.90 120.51 115.15 1rai n ALA 78 Ca -0.43 -4.15 0.11 0.00 0.00 0.00 0.00 53.44 48.96 1rai n ALA 78 Cb 0.83 -0.84 0.49 0.00 0.00 0.00 0.00 19.45 19.93 1rai n ALA 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rai n PRO 79 N 0.60 0.16 -3.43 0.00 -0.04 -1.23 -2.39 135.00 128.68 1rai n PRO 79 Ca 0.27 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.93 1rai n PRO 79 Cb 0.48 -1.86 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 1rai n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rai n GLN 80 N -2.17 2.60 -4.81 0.54 -0.00 -1.26 -4.66 117.38 107.61 1rai n GLN 80 Ca 0.01 -4.66 -0.26 0.00 -0.00 0.00 0.00 57.00 52.09 1rai n GLN 80 Cb 0.16 -2.27 -0.15 0.00 -0.00 0.00 0.00 30.24 27.98 1rai n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rai s ALA 81 N -2.44 1.70 -0.21 2.61 0.00 -1.00 -4.67 121.76 117.74 1rai s ALA 81 Ca 0.39 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1rai s ALA 81 Cb 0.13 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1rai s ALA 81 CO -0.01 0.40 -0.11 0.95 0.00 0.00 0.00 175.76 176.99 1rai s THR 82 N -0.63 2.75 0.30 0.00 -4.23 -1.15 -3.86 115.64 108.82 1rai s THR 82 Ca 0.07 -0.78 -0.21 0.00 -1.18 0.00 0.00 61.69 59.59 1rai s THR 82 Cb -0.08 -2.25 -0.09 0.00 1.34 0.00 0.00 72.50 71.41 1rai s THR 82 CO 0.00 0.42 0.82 -0.69 -0.54 0.00 0.00 174.62 174.63 1rai s VAL 83 N 1.37 4.47 -0.04 2.29 1.01 0.61 -2.89 120.40 127.22 1rai s VAL 83 Ca 0.04 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.42 1rai s VAL 83 Cb -0.14 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1rai s VAL 83 CO -0.07 0.03 -0.05 0.20 0.00 0.00 0.00 175.10 175.21 1rai s ASN 84 N -1.84 0.91 0.33 3.32 0.01 -0.93 0.10 114.94 116.84 1rai s ASN 84 Ca 0.50 -0.13 0.05 0.00 -0.71 0.00 0.00 52.86 52.57 1rai s ASN 84 Cb -0.15 -0.42 -0.02 0.00 0.41 0.00 0.00 41.25 41.08 1rai s ASN 84 CO 0.20 -0.04 0.48 0.00 -1.51 0.00 0.00 177.10 176.23 1rai s ARG 85 N 0.79 3.22 -0.12 -0.60 3.03 0.13 -1.09 118.95 124.31 1rai s ARG 85 Ca -0.11 -0.82 -0.09 0.00 2.03 0.00 0.00 55.73 56.75 1rai s ARG 85 Cb -0.13 -2.79 0.04 0.00 -1.03 0.00 0.00 34.95 31.04 1rai s ARG 85 CO 0.00 0.11 0.30 0.42 -1.13 0.00 0.00 175.30 175.01 1rai s ILE 86 N -2.19 -0.02 0.00 4.99 1.01 -0.55 -1.22 121.20 123.21 1rai s ILE 86 Ca 0.42 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1rai s ILE 86 Cb -0.09 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1rai s ILE 86 CO 0.32 0.03 0.00 -0.90 0.00 0.00 0.00 174.94 174.39 1rai n ASP 87 N 3.58 0.80 -3.25 3.58 5.75 -1.24 -0.56 116.55 125.21 1rai n ASP 87 Ca -0.19 -0.21 0.03 0.00 -0.01 0.00 0.00 54.79 54.41 1rai n ASP 87 Cb 0.56 0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 41.21 1rai n ASP 87 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1rai s ASN 88 N -0.74 -1.03 0.00 -1.12 3.84 -0.89 -4.61 114.94 110.39 1rai s ASN 88 Ca 0.00 0.82 0.00 0.00 0.21 0.00 0.00 52.86 53.89 1rai s ASN 88 Cb 0.00 1.93 0.00 0.00 -0.55 0.00 0.00 41.25 42.63 1rai s ASN 88 CO 0.00 -0.19 0.00 -1.22 -2.79 0.00 0.00 177.10 172.90 1rai n TYR 89 N 5.39 0.00 -3.56 0.43 4.01 -0.69 -4.72 117.16 118.02 1rai n TYR 89 Ca -0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.61 1rai n TYR 89 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.51 1rai n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1rai s GLU 90 N 0.00 0.55 -0.50 -0.72 2.56 -1.26 -4.97 118.70 114.37 1rai s GLU 90 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 54.97 54.46 1rai s GLU 90 Cb 0.00 0.26 -0.20 0.00 2.00 0.00 0.00 34.13 36.19 1rai s GLU 90 CO 0.00 -0.21 1.71 0.28 -0.56 0.00 0.00 175.26 176.48 1rai n VAL 91 N 0.26 0.00 -0.02 3.70 0.31 -1.26 -3.86 118.33 117.46 1rai n VAL 91 Ca -0.07 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.32 1rai n VAL 91 Cb 0.59 -0.50 -0.13 0.00 -0.91 0.00 0.00 33.84 32.89 1rai n VAL 91 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1rai n VAL 92 N 4.55 0.18 -3.63 2.52 3.14 -0.36 -4.96 118.33 119.77 1rai n VAL 92 Ca 0.36 -0.44 -0.13 0.00 -2.96 0.00 0.00 64.34 61.18 1rai n VAL 92 Cb -0.05 -0.01 -0.07 0.00 -1.06 0.00 0.00 33.84 32.65 1rai n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1rai s GLY 93 N -4.13 -0.49 -0.05 7.55 0.00 -1.23 -4.96 107.32 104.01 1rai s GLY 93 Ca -0.06 2.13 -0.00 0.00 0.00 0.00 0.00 44.72 46.79 1rai s GLY 93 CO 0.70 1.80 -0.01 0.54 0.00 0.00 0.00 173.10 176.13 1rai s LYS 94 N 0.43 2.88 -0.08 2.90 1.02 -1.26 -0.69 119.74 124.94 1rai s LYS 94 Ca -0.00 -0.50 -0.03 0.00 0.02 0.00 0.00 55.97 55.46 1rai s LYS 94 Cb -0.05 -2.72 0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1rai s LYS 94 CO -0.01 0.67 0.13 -1.12 -0.92 0.00 0.00 175.35 174.10 1rai s SER 95 N -1.12 0.90 0.38 2.83 0.01 0.12 -4.96 113.70 111.85 1rai s SER 95 Ca 0.15 0.24 -0.18 0.00 1.31 0.00 0.00 55.95 57.46 1rai s SER 95 Cb -0.11 0.15 -0.10 0.00 0.21 0.00 0.00 66.02 66.17 1rai s SER 95 CO 0.05 -0.25 0.85 -0.60 0.41 0.00 0.00 173.24 173.70 1rai s ARG 96 N 2.26 4.14 0.08 12.44 6.06 -1.26 -0.29 118.95 142.38 1rai s ARG 96 Ca 0.04 0.92 -0.30 0.00 -2.50 0.00 0.00 55.73 53.89 1rai s ARG 96 Cb -0.12 -2.32 -0.06 0.00 0.06 0.00 0.00 34.95 32.51 1rai s ARG 96 CO -0.05 0.07 1.15 -1.25 -2.50 0.00 0.00 175.30 172.71 1rai s PRO 97 N -3.04 4.48 0.10 5.12 0.04 -1.25 -4.92 135.00 135.52 1rai s PRO 97 Ca 0.58 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1rai s PRO 97 Cb -0.10 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1rai s PRO 97 CO 0.15 -0.16 0.25 -1.12 0.04 0.00 0.00 177.00 176.16 1rai s SER 98 N 0.82 6.36 0.30 6.66 0.01 -1.26 -4.88 113.70 121.71 1rai s SER 98 Ca 0.56 0.27 -0.29 0.00 1.31 0.00 0.00 55.95 57.79 1rai s SER 98 Cb -0.28 -1.96 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 1rai s SER 98 CO 0.30 0.11 1.38 -0.22 0.41 0.00 0.00 173.24 175.23 1rai s LEU 99 N -2.79 4.40 0.00 2.44 2.96 -1.26 -4.50 118.68 119.93 1rai s LEU 99 Ca 0.35 2.71 -0.03 0.00 -0.22 0.00 0.00 54.13 56.94 1rai s LEU 99 Cb -0.12 -3.64 0.08 0.00 0.50 0.00 0.00 46.19 43.01 1rai s LEU 99 CO 0.28 -0.64 0.53 -0.81 -1.32 0.00 0.00 176.35 174.38 1rai n PRO 100 N 1.48 -0.07 0.03 0.98 -0.04 -1.26 -5.02 135.00 131.10 1rai n PRO 100 Ca 0.03 -1.14 0.11 0.00 -0.04 0.00 0.00 63.50 62.46 1rai n PRO 100 Cb 0.41 -0.44 -0.10 0.00 -0.04 0.00 0.00 33.50 33.33 1rai n PRO 100 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1rai n GLU 101 N -2.04 0.59 -4.00 0.54 -0.00 -1.26 -4.72 120.64 109.75 1rai n GLU 101 Ca 0.08 -0.07 -0.11 0.00 -0.00 0.00 0.00 57.16 57.05 1rai n GLU 101 Cb 0.27 -1.63 -0.12 0.00 -0.00 0.00 0.00 31.44 29.96 1rai n GLU 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1rai s ARG 102 N -3.43 0.33 -0.26 3.44 3.52 -1.26 -2.10 118.95 119.19 1rai s ARG 102 Ca -0.04 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.06 1rai s ARG 102 Cb 0.13 -0.08 0.07 0.00 -1.56 0.00 0.00 34.95 33.51 1rai s ARG 102 CO 0.86 0.00 -0.02 0.42 -0.81 0.00 0.00 175.30 175.75 1rai s ILE 103 N -1.06 1.57 0.29 4.11 1.01 0.02 -4.96 121.20 122.19 1rai s ILE 103 Ca -0.10 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.11 1rai s ILE 103 Cb -0.08 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1rai s ILE 103 CO -0.00 -0.24 0.52 -1.81 0.00 0.00 0.00 174.94 173.40 1rai s ASP 104 N 1.34 6.38 0.00 3.58 1.11 -1.26 -1.67 116.67 126.15 1rai s ASP 104 Ca -0.02 0.55 0.00 0.00 0.18 0.00 0.00 52.55 53.26 1rai s ASP 104 Cb -0.19 -2.07 0.00 0.00 1.07 0.00 0.00 42.92 41.73 1rai s ASP 104 CO -0.09 -0.20 0.00 0.59 1.18 0.00 0.00 175.17 176.65 1rai n ASN 105 N -1.19 0.00 -4.21 0.27 3.02 0.52 -4.77 115.26 108.90 1rai n ASN 105 Ca -0.03 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.10 1rai n ASN 105 Cb 0.55 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.64 1rai n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rai s VAL 106 N 0.00 4.33 0.00 2.41 1.01 -1.26 -4.58 120.40 122.31 1rai s VAL 106 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1rai s VAL 106 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1rai s VAL 106 CO 0.00 -0.82 0.00 0.18 0.00 0.00 0.00 175.10 174.46 1rai n LEU 107 N 4.65 0.00 -4.44 3.92 4.77 -1.26 -5.06 117.00 119.58 1rai n LEU 107 Ca -0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 1rai n LEU 107 Cb 0.41 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1rai n LEU 107 CO 0.41 0.00 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.28 1rai s VAL 108 N -1.75 2.67 -0.02 4.08 1.01 -1.26 -4.78 120.40 120.35 1rai s VAL 108 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 1rai s VAL 108 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1rai s VAL 108 CO 0.00 0.33 1.46 0.00 0.00 0.00 0.00 175.10 176.90 1rai h PRO 110 N 8.23 0.00 -6.41 0.00 0.11 -1.92 -3.42 132.00 128.60 1rai h PRO 110 Ca -0.38 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.17 1rai h PRO 110 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1rai h PRO 110 CO 0.92 0.00 1.16 1.21 -0.21 0.00 0.00 178.00 181.08 1rai s ASN 111 N -5.42 6.12 0.51 -2.05 2.47 -1.26 -4.89 114.94 110.43 1rai s ASN 111 Ca -0.04 0.94 0.30 0.00 0.42 0.00 0.00 52.86 54.48 1rai s ASN 111 Cb 0.14 -2.53 1.25 0.00 -1.45 0.00 0.00 41.25 38.66 1rai s ASN 111 CO 0.51 -1.58 1.95 0.77 -3.72 0.00 0.00 177.10 175.02 1rai h SER 112 N 11.65 0.00 0.02 -4.21 4.64 -2.04 -2.02 113.55 121.59 1rai h SER 112 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1rai h SER 112 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1rai h SER 112 CO 1.08 0.09 -0.01 -3.20 -0.87 0.00 0.00 176.83 173.92 1rai n ASN 113 N -3.25 0.76 -4.74 4.97 5.15 -1.26 -4.86 115.26 112.04 1rai n ASN 113 Ca 0.00 -1.21 -0.41 0.00 -0.60 0.00 0.00 54.58 52.35 1rai n ASN 113 Cb 0.34 -0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.55 1rai n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rai h ILE 115 N 3.64 0.00 -0.12 0.00 6.09 -1.89 -2.78 117.51 122.44 1rai h ILE 115 Ca -0.45 -0.10 0.04 0.00 -1.37 0.00 0.00 64.86 62.97 1rai h ILE 115 Cb 1.22 0.75 -0.00 0.00 0.47 0.00 0.00 36.82 39.26 1rai h ILE 115 CO 0.77 0.00 0.14 0.77 -3.07 0.00 0.00 178.15 176.76 1rai h SER 116 N 0.00 0.00 0.12 2.19 4.64 -1.92 -2.97 113.55 115.61 1rai h SER 116 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1rai h SER 116 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1rai h SER 116 CO 0.00 0.00 -0.45 0.45 -0.87 0.00 0.00 176.83 175.96 1rai h HIS 117 N 0.00 0.49 -0.00 4.77 3.86 -1.85 -3.32 115.15 119.10 1rai h HIS 117 Ca 0.06 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1rai h HIS 117 Cb 0.34 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1rai h HIS 117 CO 0.00 0.79 -0.83 0.00 0.86 0.00 0.00 177.93 178.75 1rai n ALA 118 N -2.49 4.30 -2.69 2.45 0.00 -1.12 -5.03 120.51 115.93 1rai n ALA 118 Ca -0.02 -0.51 -0.24 0.00 0.00 0.00 0.00 53.44 52.67 1rai n ALA 118 Cb 0.53 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 1rai n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rai s GLU 119 N -2.66 2.46 -0.06 0.00 0.41 -1.23 -5.02 118.70 112.60 1rai s GLU 119 Ca 0.07 -1.23 -0.01 0.00 -0.41 0.00 0.00 54.97 53.40 1rai s GLU 119 Cb 0.13 -2.32 -0.02 0.00 -1.78 0.00 0.00 34.13 30.15 1rai s GLU 119 CO 0.72 0.41 0.95 -0.35 -0.49 0.00 0.00 175.26 176.50 1rai n PRO 120 N -0.66 0.25 -5.04 0.39 -0.04 -1.26 -4.86 135.00 123.78 1rai n PRO 120 Ca -0.08 -0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 62.75 1rai n PRO 120 Cb 0.57 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 32.12 1rai n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rai s VAL 121 N 3.60 2.11 -0.14 0.52 0.11 -1.26 -5.09 120.40 120.25 1rai s VAL 121 Ca 0.06 -1.30 -0.18 0.00 -2.93 0.00 0.00 61.98 57.63 1rai s VAL 121 Cb 0.02 -1.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 1rai s VAL 121 CO -0.00 0.43 0.48 -0.44 -3.33 0.00 0.00 175.10 172.24 1rai s SER 122 N -1.04 6.64 0.64 3.54 0.01 -1.26 -5.05 113.70 117.18 1rai s SER 122 Ca 0.11 0.76 -0.18 0.00 1.31 0.00 0.00 55.95 57.95 1rai s SER 122 Cb -0.10 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1rai s SER 122 CO 0.01 -0.04 1.26 -1.54 0.41 0.00 0.00 173.24 173.34 1rai n SER 123 N 3.95 1.93 -3.66 2.44 3.41 -1.26 -4.77 113.62 115.66 1rai n SER 123 Ca -0.07 0.83 -0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1rai n SER 123 Cb 0.51 -1.54 -0.08 0.00 -0.26 0.00 0.00 64.21 62.84 1rai n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rai s SER 124 N -1.35 -0.73 -0.02 4.04 0.15 -1.26 -0.35 113.70 114.18 1rai s SER 124 Ca 0.82 1.24 0.06 0.00 0.70 0.00 0.00 55.95 58.77 1rai s SER 124 Cb -0.39 1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 65.26 1rai s SER 124 CO 0.41 -0.22 -0.20 -0.36 1.20 0.00 0.00 173.24 174.07 1rai s PHE 125 N 1.95 1.81 -0.08 3.44 0.40 -0.67 -1.06 117.98 123.77 1rai s PHE 125 Ca -0.08 -0.36 -0.17 0.00 -0.60 0.00 0.00 56.93 55.73 1rai s PHE 125 Cb -0.08 -1.17 -0.05 0.00 0.51 0.00 0.00 43.02 42.23 1rai s PHE 125 CO -0.16 -0.04 0.44 0.00 0.70 0.00 0.00 175.22 176.15 1rai s ALA 126 N -0.44 3.56 -0.08 5.36 0.00 -0.12 -0.80 121.76 129.24 1rai s ALA 126 Ca 0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.73 1rai s ALA 126 Cb -0.08 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1rai s ALA 126 CO -0.01 0.17 0.19 0.08 0.00 0.00 0.00 175.76 176.20 1rai s VAL 127 N 0.02 5.42 -0.22 0.00 1.01 -0.89 -0.77 120.40 124.97 1rai s VAL 127 Ca 0.24 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 1rai s VAL 127 Cb -0.16 -3.47 0.11 0.00 0.00 0.00 0.00 36.38 32.87 1rai s VAL 127 CO 0.11 0.58 0.40 -0.60 0.00 0.00 0.00 175.10 175.58 1rai s ARG 128 N -1.15 0.33 -1.02 2.72 3.52 0.42 -4.92 118.95 118.85 1rai s ARG 128 Ca 0.18 0.81 -0.23 0.00 -0.13 0.00 0.00 55.73 56.36 1rai s ARG 128 Cb -0.13 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.26 1rai s ARG 128 CO 0.07 -0.43 1.64 0.21 -0.81 0.00 0.00 175.30 175.99 1rai s LYS 129 N 2.59 3.28 -0.76 5.12 2.36 -1.26 0.65 119.74 131.70 1rai s LYS 129 Ca 0.05 -0.97 -0.15 0.00 -2.55 0.00 0.00 55.97 52.36 1rai s LYS 129 Cb -0.14 -5.29 0.19 0.00 -1.05 0.00 0.00 37.83 31.55 1rai s LYS 129 CO -0.14 -2.64 0.72 0.50 1.55 0.00 0.00 175.35 175.34 1rai s ARG 130 N 5.57 3.45 0.00 4.03 3.00 0.30 -4.93 118.95 130.37 1rai s ARG 130 Ca 0.55 -2.24 0.00 0.00 -1.00 0.00 0.00 55.73 53.04 1rai s ARG 130 Cb -0.02 -4.41 0.00 0.00 0.00 0.00 0.00 34.95 30.52 1rai s ARG 130 CO -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 175.30 173.93 1rai n ALA 131 N 4.41 0.00 0.00 6.12 0.00 -1.26 -0.56 120.51 129.22 1rai n ALA 131 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1rai n ALA 131 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1rai n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rai n ASN 132 N 0.00 0.00 -2.84 0.00 3.02 -1.26 -5.07 115.26 109.10 1rai n ASN 132 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1rai n ASN 132 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1rai n ASN 132 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1rai n ASP 133 N 0.00 -1.76 -4.29 6.41 5.75 0.27 -5.13 116.55 117.80 1rai n ASP 133 Ca 0.00 -2.07 -0.34 0.00 -0.01 0.00 0.00 54.79 52.36 1rai n ASP 133 Cb 0.00 2.90 -0.14 0.00 -1.03 0.00 0.00 41.12 42.85 1rai n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1rai s ILE 134 N -2.15 3.13 0.23 2.12 1.01 -1.26 0.11 121.20 124.39 1rai s ILE 134 Ca 0.18 -0.58 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 1rai s ILE 134 Cb -0.03 -2.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.97 1rai s ILE 134 CO 0.07 0.46 0.54 0.00 0.00 0.00 0.00 174.94 176.01 1rai s ALA 135 N 1.29 3.58 -0.18 9.38 0.00 0.21 -0.62 121.76 135.42 1rai s ALA 135 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1rai s ALA 135 Cb -0.14 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.61 1rai s ALA 135 CO -0.04 0.50 -0.08 -0.51 0.00 0.00 0.00 175.76 175.63 1rai s LEU 136 N -2.86 1.95 -0.21 0.00 1.43 0.10 -0.43 118.68 118.65 1rai s LEU 136 Ca 0.47 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1rai s LEU 136 Cb -0.11 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 1rai s LEU 136 CO 0.22 -0.17 0.11 -0.75 0.23 0.00 0.00 176.35 176.00 1rai s LYS 137 N 1.52 4.03 0.34 1.70 2.20 0.05 -1.00 119.74 128.58 1rai s LYS 137 Ca -0.00 -0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 55.04 1rai s LYS 137 Cb -0.16 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 1rai s LYS 137 CO -0.08 0.16 1.05 0.00 -0.36 0.00 0.00 175.35 176.13 1rai h LYS 139 N 3.18 0.00 0.00 0.00 5.09 -1.45 -1.49 116.57 121.91 1rai h LYS 139 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1rai h LYS 139 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 1rai h LYS 139 CO 0.65 0.00 -0.04 0.66 -2.09 0.00 0.00 179.45 178.63 1rai n TYR 140 N -3.06 0.03 -0.27 0.07 4.01 -1.26 -4.52 117.16 112.16 1rai n TYR 140 Ca 0.03 0.01 0.04 0.00 -0.16 0.00 0.00 57.90 57.82 1rai n TYR 140 Cb 0.44 -0.18 0.12 0.00 -0.31 0.00 0.00 39.34 39.41 1rai n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rai n GLU 142 N -5.47 -0.57 -3.60 0.00 1.02 -0.56 -5.00 120.64 106.47 1rai n GLU 142 Ca 0.12 0.51 -0.37 0.00 -0.02 0.00 0.00 57.16 57.40 1rai n GLU 142 Cb 0.44 -4.38 -0.06 0.00 -0.02 0.00 0.00 31.44 27.41 1rai n GLU 142 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1rai s LYS 143 N -3.73 3.93 -0.22 3.49 2.47 -1.26 -4.76 119.74 119.65 1rai s LYS 143 Ca 0.00 0.18 -0.08 0.00 -1.56 0.00 0.00 55.97 54.51 1rai s LYS 143 Cb 0.00 -3.29 -0.04 0.00 -1.46 0.00 0.00 37.83 33.04 1rai s LYS 143 CO 0.00 0.54 0.08 -2.00 0.16 0.00 0.00 175.35 174.14 1rai s GLU 144 N -0.49 3.85 0.15 4.03 2.12 -1.26 -1.51 118.70 125.58 1rai s GLU 144 Ca 0.19 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.18 1rai s GLU 144 Cb -0.14 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1rai s GLU 144 CO 0.08 0.03 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.66 1rai s PHE 145 N 1.06 1.29 0.41 5.30 0.40 -0.17 -4.92 117.98 121.34 1rai s PHE 145 Ca 0.05 -0.74 -0.24 0.00 -0.60 0.00 0.00 56.93 55.39 1rai s PHE 145 Cb -0.14 -0.65 -0.08 0.00 0.51 0.00 0.00 43.02 42.65 1rai s PHE 145 CO 0.03 0.10 1.12 0.45 0.70 0.00 0.00 175.22 177.62 1rai s SER 146 N -3.16 6.55 0.61 1.36 0.15 -1.26 -0.72 113.70 117.23 1rai s SER 146 Ca 0.17 2.22 0.36 0.00 0.70 0.00 0.00 55.95 59.41 1rai s SER 146 Cb 0.02 -2.60 1.96 0.00 -1.71 0.00 0.00 66.02 63.69 1rai s SER 146 CO 0.01 -0.64 2.24 1.12 1.20 0.00 0.00 173.24 177.16 1rai h HIS 147 N 2.50 0.00 -0.32 3.44 2.07 -1.20 0.71 115.15 122.35 1rai h HIS 147 Ca -0.49 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 56.92 1rai h HIS 147 Cb 1.23 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.20 1rai h HIS 147 CO 0.56 0.03 -0.24 -0.91 -3.07 0.00 0.00 177.93 174.29 1rai h ASN 148 N 0.00 0.76 -0.48 3.10 -0.26 -1.89 0.01 115.58 116.81 1rai h ASN 148 Ca -0.00 -0.44 -0.05 0.00 -0.56 0.00 0.00 56.30 55.25 1rai h ASN 148 Cb 0.14 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1rai h ASN 148 CO 0.00 1.04 0.13 0.58 -1.06 0.00 0.00 177.43 178.12 1rai h VAL 149 N 0.48 1.22 0.16 2.81 2.07 -1.22 -1.78 116.25 119.99 1rai h VAL 149 Ca 0.06 -0.81 -0.29 0.00 0.82 0.00 0.00 66.70 66.47 1rai h VAL 149 Cb 0.80 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1rai h VAL 149 CO 0.06 0.30 -1.29 0.58 0.02 0.00 0.00 177.57 177.24 1rai h VAL 150 N 0.80 1.39 0.00 2.57 2.07 -1.14 -2.53 116.25 119.41 1rai h VAL 150 Ca 0.18 -2.81 -0.12 0.00 0.82 0.00 0.00 66.70 64.76 1rai h VAL 150 Cb 0.29 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1rai h VAL 150 CO -0.00 0.83 -0.59 -0.07 0.02 0.00 0.00 177.57 177.77 1rai h LEU 151 N 0.14 0.00 -0.84 2.57 -0.00 -0.96 -2.79 115.31 113.44 1rai h LEU 151 Ca -0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.67 1rai h LEU 151 Cb 1.99 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.62 1rai h LEU 151 CO 0.23 0.59 0.38 0.00 -0.00 0.00 0.00 178.44 179.63 1rai h ALA 152 N 1.41 1.08 0.00 1.53 0.00 -1.30 -3.51 119.26 118.47 1rai h ALA 152 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1rai h ALA 152 Cb 1.07 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rai h ALA 152 CO 0.08 0.67 0.00 -1.71 0.00 0.00 0.00 179.25 178.28