#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cm9 s THR 25 N -2.36 2.48 0.00 0.00 2.01 -1.26 -4.99 115.64 111.52 2cm9 s THR 25 Ca 0.00 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2cm9 s THR 25 Cb 0.00 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2cm9 s THR 25 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2cm9 n GLY 26 N 3.54 3.11 3.68 4.40 0.00 -1.26 -4.63 105.19 114.04 2cm9 n GLY 26 Ca 0.13 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2cm9 n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cm9 s SER 27 N -0.24 7.04 -0.00 1.61 0.15 0.56 -4.69 113.70 118.12 2cm9 s SER 27 Ca 0.00 1.80 -0.00 0.00 0.70 0.00 0.00 55.95 58.45 2cm9 s SER 27 Cb 0.00 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2cm9 s SER 27 CO 0.00 -0.60 0.00 -1.61 1.20 0.00 0.00 173.24 172.23 2cm9 s GLU 28 N 2.37 0.01 0.79 5.44 2.02 -1.26 -3.79 118.70 124.27 2cm9 s GLU 28 Ca 0.56 -0.01 -0.11 0.00 0.02 0.00 0.00 54.97 55.43 2cm9 s GLU 28 Cb -0.24 0.00 0.06 0.00 0.10 0.00 0.00 34.13 34.05 2cm9 s GLU 28 CO 0.21 -0.00 1.09 -1.25 0.02 0.00 0.00 175.26 175.32 2cm9 s PRO 29 N -0.03 2.16 0.01 0.39 0.04 -1.26 -5.08 135.00 131.23 2cm9 s PRO 29 Ca -0.00 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2cm9 s PRO 29 Cb -0.00 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2cm9 s PRO 29 CO -0.00 -1.66 1.29 0.08 0.04 0.00 0.00 177.00 176.75 2cm9 s VAL 30 N -2.97 3.90 -0.10 -0.36 1.01 -1.25 -5.02 120.40 115.62 2cm9 s VAL 30 Ca 0.61 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 2cm9 s VAL 30 Cb -0.16 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2cm9 s VAL 30 CO 0.56 0.04 -0.05 -0.62 0.00 0.00 0.00 175.10 175.02 2cm9 s ASP 31 N 1.47 1.94 0.20 3.32 2.15 -1.26 -3.91 116.67 120.57 2cm9 s ASP 31 Ca 0.60 -0.22 -0.11 0.00 0.43 0.00 0.00 52.55 53.25 2cm9 s ASP 31 Cb -0.30 -0.70 0.25 0.00 -0.30 0.00 0.00 42.92 41.87 2cm9 s ASP 31 CO 0.26 -0.14 1.72 0.00 -0.17 0.00 0.00 175.17 176.84 2cm9 h ALA 32 N 8.18 0.66 -0.62 3.66 0.00 0.86 0.29 119.26 132.29 2cm9 h ALA 32 Ca -0.27 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2cm9 h ALA 32 Cb 1.13 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2cm9 h ALA 32 CO 0.36 -0.28 0.41 0.35 0.00 0.00 0.00 179.25 180.08 2cm9 h PHE 33 N 0.28 0.77 -0.57 0.00 -0.00 -1.95 -1.07 116.94 114.40 2cm9 h PHE 33 Ca 0.28 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 58.18 2cm9 h PHE 33 Cb 0.39 -0.26 -0.02 0.00 -0.00 0.00 0.00 35.95 36.06 2cm9 h PHE 33 CO -0.22 0.48 -0.02 1.96 -0.00 0.00 0.00 178.31 180.51 2cm9 h GLN 34 N 0.83 1.02 0.00 1.11 4.20 -1.81 0.16 115.11 120.62 2cm9 h GLN 34 Ca 0.23 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2cm9 h GLN 34 Cb -0.08 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 2cm9 h GLN 34 CO -0.06 1.02 -0.06 0.00 -0.67 0.00 0.00 178.83 179.06 2cm9 h ALA 35 N 0.96 1.72 -0.37 3.87 0.00 -0.44 -0.50 119.26 124.49 2cm9 h ALA 35 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2cm9 h ALA 35 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2cm9 h ALA 35 CO 0.03 0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.55 2cm9 n PHE 36 N -4.21 1.27 -3.49 0.00 3.72 -0.45 -4.80 117.46 109.50 2cm9 n PHE 36 Ca -0.03 -0.45 -0.25 0.00 -0.05 0.00 0.00 57.45 56.67 2cm9 n PHE 36 Cb 0.14 -0.33 0.03 0.00 -0.94 0.00 0.00 39.48 38.39 2cm9 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2cm9 n SER 37 N 0.44 -5.35 -2.31 4.37 7.64 -0.20 -0.88 113.62 117.34 2cm9 n SER 37 Ca 0.17 -0.51 -0.20 0.00 1.01 0.00 0.00 58.87 59.34 2cm9 n SER 37 Cb 0.81 -4.29 -0.02 0.00 -1.01 0.00 0.00 64.21 59.70 2cm9 n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cm9 n GLU 38 N -4.40 -1.71 -2.23 1.43 1.02 0.54 -2.16 120.64 113.13 2cm9 n GLU 38 Ca -0.02 1.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.99 2cm9 n GLU 38 Cb 0.56 -5.62 -0.01 0.00 -0.02 0.00 0.00 31.44 26.35 2cm9 n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cm9 n GLY 39 N -0.92 -0.14 0.60 0.62 0.00 -0.05 -4.91 105.19 100.38 2cm9 n GLY 39 Ca -0.23 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.51 2cm9 n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cm9 n LYS 40 N -2.21 1.17 -4.20 1.61 4.76 -0.92 -4.68 118.16 113.70 2cm9 n LYS 40 Ca -0.15 -1.38 -0.12 0.00 -2.87 0.00 0.00 58.31 53.79 2cm9 n LYS 40 Cb 0.61 -1.29 -0.10 0.00 -1.84 0.00 0.00 35.03 32.41 2cm9 n LYS 40 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2cm9 s GLU 41 N -1.31 0.95 -0.04 1.97 0.41 -1.26 -4.99 118.70 114.43 2cm9 s GLU 41 Ca 0.18 -1.42 -0.12 0.00 -0.41 0.00 0.00 54.97 53.20 2cm9 s GLU 41 Cb 0.13 -0.22 -0.05 0.00 -1.78 0.00 0.00 34.13 32.21 2cm9 s GLU 41 CO 0.20 -0.07 0.31 0.00 -0.49 0.00 0.00 175.26 175.22 2cm9 s ALA 42 N -3.65 3.77 -0.04 5.21 0.00 -1.26 -4.27 121.76 121.52 2cm9 s ALA 42 Ca 0.17 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.82 2cm9 s ALA 42 Cb 0.06 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 2cm9 s ALA 42 CO -0.01 0.54 -0.25 0.71 0.00 0.00 0.00 175.76 176.74 2cm9 s TYR 43 N -1.09 2.38 0.01 0.00 2.02 0.12 -3.80 117.35 116.99 2cm9 s TYR 43 Ca 0.21 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2cm9 s TYR 43 Cb -0.15 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 2cm9 s TYR 43 CO 0.11 -0.14 -0.02 0.14 -1.57 0.00 0.00 175.55 174.06 2cm9 s VAL 44 N -0.35 3.95 -0.19 0.71 -7.23 -0.08 -0.05 120.40 117.16 2cm9 s VAL 44 Ca 0.02 -0.71 -0.28 0.00 -1.81 0.00 0.00 61.98 59.20 2cm9 s VAL 44 Cb -0.12 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 34.06 2cm9 s VAL 44 CO 0.02 0.35 0.97 -0.22 -0.31 0.00 0.00 175.10 175.91 2cm9 s LEU 45 N -1.60 4.14 -0.03 1.32 2.96 -0.60 -1.58 118.68 123.29 2cm9 s LEU 45 Ca 0.19 1.34 0.09 0.00 -0.22 0.00 0.00 54.13 55.53 2cm9 s LEU 45 Cb -0.11 -3.45 -0.14 0.00 0.50 0.00 0.00 46.19 42.99 2cm9 s LEU 45 CO 0.10 -0.56 0.17 1.33 -1.32 0.00 0.00 176.35 176.07 2cm9 n VAL 46 N 5.05 0.10 -3.89 1.68 0.24 0.19 -2.60 118.33 119.10 2cm9 n VAL 46 Ca 0.09 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 2cm9 n VAL 46 Cb 0.47 0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.84 2cm9 n VAL 46 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2cm9 s ARG 47 N -2.56 0.38 -0.23 7.34 1.81 -1.15 -3.99 118.95 120.56 2cm9 s ARG 47 Ca -0.04 -0.34 -0.27 0.00 -1.72 0.00 0.00 55.73 53.37 2cm9 s ARG 47 Cb 0.05 0.16 0.09 0.00 -0.45 0.00 0.00 34.95 34.80 2cm9 s ARG 47 CO 0.38 -0.08 0.85 0.45 -0.68 0.00 0.00 175.30 176.21 2cm9 s SER 48 N -1.12 -0.59 0.00 0.23 0.15 -0.90 -1.35 113.70 110.12 2cm9 s SER 48 Ca -0.12 1.02 0.28 0.00 0.70 0.00 0.00 55.95 57.83 2cm9 s SER 48 Cb -0.07 0.99 1.00 0.00 -1.71 0.00 0.00 66.02 66.24 2cm9 s SER 48 CO 0.01 -0.28 1.72 0.35 1.20 0.00 0.00 173.24 176.23 2cm9 n THR 49 N 2.02 0.00 -2.76 6.45 -2.24 -0.84 0.57 114.28 117.49 2cm9 n THR 49 Ca -0.14 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 2cm9 n THR 49 Cb 0.56 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 2cm9 n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cm9 s ASP 50 N -2.39 6.84 0.00 3.42 3.68 -1.26 -4.88 116.67 122.08 2cm9 s ASP 50 Ca 0.29 0.93 0.12 0.00 2.13 0.00 0.00 52.55 56.01 2cm9 s ASP 50 Cb 0.20 -2.49 0.53 0.00 -1.45 0.00 0.00 42.92 39.71 2cm9 s ASP 50 CO 0.47 -0.76 1.35 -0.81 0.13 0.00 0.00 175.17 175.55 2cm9 n PRO 51 N 6.56 0.05 -0.05 4.34 -0.04 -1.26 -1.65 135.00 142.94 2cm9 n PRO 51 Ca 0.09 0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 2cm9 n PRO 51 Cb 0.47 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.55 2cm9 n PRO 51 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2cm9 n LYS 52 N -1.44 2.06 -1.58 0.54 5.02 -1.26 -5.00 118.16 116.50 2cm9 n LYS 52 Ca 0.04 -1.88 -0.51 0.00 -2.02 0.00 0.00 58.31 53.93 2cm9 n LYS 52 Cb 0.13 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2cm9 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cm9 n ALA 53 N 1.23 -1.08 -1.79 7.82 0.00 -0.66 -4.90 120.51 121.13 2cm9 n ALA 53 Ca 0.14 0.51 -0.38 0.00 0.00 0.00 0.00 53.44 53.70 2cm9 n ALA 53 Cb 0.54 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.88 2cm9 n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2cm9 s ARG 54 N 0.22 4.70 0.22 0.00 0.52 -1.26 -4.97 118.95 118.37 2cm9 s ARG 54 Ca 0.82 1.38 -0.31 0.00 -0.52 0.00 0.00 55.73 57.10 2cm9 s ARG 54 Cb -0.94 -3.05 -0.11 0.00 0.52 0.00 0.00 34.95 31.37 2cm9 s ARG 54 CO 0.49 0.41 1.56 -0.51 0.02 0.00 0.00 175.30 177.27 2cm9 s ASP 55 N -1.39 6.53 -1.28 0.23 1.01 -1.26 -2.83 116.67 117.69 2cm9 s ASP 55 Ca 0.45 2.73 0.00 0.00 0.71 0.00 0.00 52.55 56.44 2cm9 s ASP 55 Cb -0.22 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.10 2cm9 s ASP 55 CO 0.28 -0.83 0.00 0.00 0.21 0.00 0.00 175.17 174.83 2cm9 n LEU 57 N -1.38 2.61 -4.18 0.00 7.94 -1.13 -4.34 117.00 116.53 2cm9 n LEU 57 Ca -0.12 0.73 -0.22 0.00 -1.11 0.00 0.00 56.01 55.29 2cm9 n LEU 57 Cb 0.50 -1.27 -0.13 0.00 0.53 0.00 0.00 43.42 43.04 2cm9 n LEU 57 CO 0.18 -0.46 -0.48 -0.75 -1.11 0.00 0.00 177.39 174.77 2cm9 s LYS 58 N 4.96 1.07 -0.12 1.96 2.20 0.12 -1.56 119.74 128.38 2cm9 s LYS 58 Ca 1.02 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 2cm9 s LYS 58 Cb -0.85 -1.12 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 2cm9 s LYS 58 CO 0.54 0.28 -0.21 0.20 -0.36 0.00 0.00 175.35 175.80 2cm9 s GLY 59 N -1.20 1.26 0.02 5.54 0.00 0.92 -0.42 107.32 113.45 2cm9 s GLY 59 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2cm9 s GLY 59 CO 0.02 -0.07 -0.07 -1.83 0.00 0.00 0.00 173.10 171.15 2cm9 s GLU 60 N 0.69 0.49 0.43 2.90 -1.05 -0.81 0.15 118.70 121.50 2cm9 s GLU 60 Ca -0.11 -0.54 -0.26 0.00 -0.15 0.00 0.00 54.97 53.91 2cm9 s GLU 60 Cb -0.16 -0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.10 2cm9 s GLU 60 CO 0.02 0.07 1.42 -2.30 0.95 0.00 0.00 175.26 175.42 2cm9 n PRO 61 N 2.04 2.28 -0.78 -4.83 -0.02 -1.26 -0.92 135.00 131.50 2cm9 n PRO 61 Ca -0.19 0.81 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 2cm9 n PRO 61 Cb 0.56 -2.60 0.11 0.00 -0.02 0.00 0.00 33.50 31.55 2cm9 n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cm9 n ALA 62 N -0.10 2.83 0.00 3.55 0.00 -0.02 -4.73 120.51 122.04 2cm9 n ALA 62 Ca 0.05 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2cm9 n ALA 62 Cb 0.41 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2cm9 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cm9 n GLY 63 N -0.53 1.30 3.82 0.00 0.00 -1.26 -4.88 105.19 103.65 2cm9 n GLY 63 Ca 0.12 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2cm9 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cm9 s GLU 64 N -1.92 2.54 -0.64 1.61 0.41 -1.26 -4.59 118.70 114.84 2cm9 s GLU 64 Ca 0.00 0.74 -0.26 0.00 -0.41 0.00 0.00 54.97 55.04 2cm9 s GLU 64 Cb 0.00 -1.96 -0.02 0.00 -1.78 0.00 0.00 34.13 30.37 2cm9 s GLU 64 CO 0.00 -1.33 1.86 0.21 -0.49 0.00 0.00 175.26 175.51 2cm9 s LYS 65 N -5.14 2.63 -0.20 1.61 2.20 -1.26 -4.52 119.74 115.07 2cm9 s LYS 65 Ca 0.59 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 56.41 2cm9 s LYS 65 Cb -0.14 -4.45 -0.02 0.00 -1.51 0.00 0.00 37.83 31.71 2cm9 s LYS 65 CO 0.54 -2.79 1.35 -1.14 -0.36 0.00 0.00 175.35 172.95 2cm9 s GLN 66 N 7.02 4.10 0.00 4.03 0.74 -0.13 -4.85 119.66 130.57 2cm9 s GLN 66 Ca 0.67 1.60 0.00 0.00 0.05 0.00 0.00 55.36 57.68 2cm9 s GLN 66 Cb -0.12 -3.84 0.00 0.00 1.10 0.00 0.00 33.01 30.15 2cm9 s GLN 66 CO 0.18 -0.89 0.00 -0.40 -0.55 0.00 0.00 175.29 173.64 2cm9 n ASP 67 N 7.11 0.00 -1.20 6.67 3.85 -1.26 0.18 116.55 131.89 2cm9 n ASP 67 Ca 0.15 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.31 2cm9 n ASP 67 Cb 0.45 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.51 2cm9 n ASP 67 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 2cm9 n ASN 68 N 2.96 4.19 -4.52 -1.12 6.94 -1.26 -4.96 115.26 117.49 2cm9 n ASN 68 Ca 0.00 -2.55 -0.30 0.00 -0.02 0.00 0.00 54.58 51.71 2cm9 n ASN 68 Cb 0.00 -0.50 -0.11 0.00 -2.36 0.00 0.00 39.78 36.81 2cm9 n ASN 68 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2cm9 s THR 69 N -2.01 3.11 -0.08 5.53 -4.23 0.46 0.42 115.64 118.85 2cm9 s THR 69 Ca 0.43 -1.25 -0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2cm9 s THR 69 Cb 0.29 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.76 2cm9 s THR 69 CO 0.18 0.20 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.20 2cm9 s LEU 70 N -1.90 0.97 -0.01 4.79 2.96 0.13 -0.96 118.68 124.66 2cm9 s LEU 70 Ca 0.18 -0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.63 2cm9 s LEU 70 Cb -0.11 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.96 2cm9 s LEU 70 CO 0.10 -0.13 1.38 -2.16 -1.32 0.00 0.00 176.35 174.22 2cm9 s PRO 71 N 1.60 4.29 -0.02 0.98 0.04 -1.26 -0.99 135.00 139.62 2cm9 s PRO 71 Ca 0.00 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2cm9 s PRO 71 Cb -0.13 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2cm9 s PRO 71 CO -0.04 -0.57 -0.09 0.08 0.04 0.00 0.00 177.00 176.41 2cm9 s VAL 72 N 2.45 0.80 -0.28 -0.36 1.01 0.79 -0.84 120.40 123.96 2cm9 s VAL 72 Ca 0.63 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 2cm9 s VAL 72 Cb -0.30 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2cm9 s VAL 72 CO 0.26 0.24 0.09 -0.32 0.00 0.00 0.00 175.10 175.37 2cm9 s MET 73 N 0.10 3.35 -0.22 2.72 1.75 -0.10 0.12 119.30 127.03 2cm9 s MET 73 Ca -0.02 -0.69 -0.10 0.00 -1.25 0.00 0.00 55.69 53.63 2cm9 s MET 73 Cb -0.08 -3.38 -0.05 0.00 2.84 0.00 0.00 34.83 34.16 2cm9 s MET 73 CO 0.00 -0.34 0.15 -1.64 -0.65 0.00 0.00 175.02 172.54 2cm9 s MET 74 N 1.56 4.14 0.24 4.11 -1.94 0.77 -1.92 119.30 126.26 2cm9 s MET 74 Ca 0.04 -0.23 0.11 0.00 -1.71 0.00 0.00 55.69 53.91 2cm9 s MET 74 Cb -0.16 -3.48 -0.05 0.00 2.01 0.00 0.00 34.83 33.15 2cm9 s MET 74 CO 0.03 0.18 -0.21 0.95 -0.01 0.00 0.00 175.02 175.97 2cm9 s THR 75 N 0.70 2.33 0.21 2.05 -4.23 0.44 -0.80 115.64 116.34 2cm9 s THR 75 Ca 0.08 -2.24 -0.22 0.00 -1.18 0.00 0.00 61.69 58.13 2cm9 s THR 75 Cb -0.12 -2.19 0.06 0.00 1.34 0.00 0.00 72.50 71.59 2cm9 s THR 75 CO 0.01 -0.32 0.95 0.72 -0.54 0.00 0.00 174.62 175.44 2cm9 s PHE 76 N -2.24 -0.03 -0.09 3.99 -0.12 -0.85 0.16 117.98 118.79 2cm9 s PHE 76 Ca 0.25 -0.38 0.03 0.00 -0.05 0.00 0.00 56.93 56.78 2cm9 s PHE 76 Cb -0.06 0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 43.02 2cm9 s PHE 76 CO 0.12 -1.00 -0.18 0.21 -0.05 0.00 0.00 175.22 174.32 2cm9 s LYS 77 N -2.81 2.98 -0.36 1.99 2.20 0.39 0.13 119.74 124.26 2cm9 s LYS 77 Ca 0.16 -0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2cm9 s LYS 77 Cb -0.03 -2.42 0.08 0.00 -1.51 0.00 0.00 37.83 33.96 2cm9 s LYS 77 CO 0.05 0.32 0.10 -1.14 -0.36 0.00 0.00 175.35 174.32 2cm9 s GLN 78 N 0.04 2.12 6.48 4.03 0.74 0.16 -4.14 119.66 129.09 2cm9 s GLN 78 Ca -0.07 -1.59 0.00 0.00 0.05 0.00 0.00 55.36 53.75 2cm9 s GLN 78 Cb -0.15 -3.38 0.00 0.00 1.10 0.00 0.00 33.01 30.58 2cm9 s GLN 78 CO 0.05 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.33 2cm9 n GLY 79 N 4.57 1.93 0.25 2.59 0.00 -1.26 -1.30 105.19 111.98 2cm9 n GLY 79 Ca -0.06 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.03 2cm9 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cm9 n THR 80 N 0.00 0.00 -3.41 2.61 -2.24 -1.26 -4.99 114.28 104.99 2cm9 n THR 80 Ca 0.00 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.04 2cm9 n THR 80 Cb 0.00 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 2cm9 n THR 80 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2cm9 s ASP 81 N -1.59 6.80 0.39 3.42 1.01 -0.42 -5.07 116.67 121.21 2cm9 s ASP 81 Ca 0.10 0.95 -0.23 0.00 0.71 0.00 0.00 52.55 54.08 2cm9 s ASP 81 Cb 0.10 -2.28 -0.11 0.00 1.01 0.00 0.00 42.92 41.64 2cm9 s ASP 81 CO 0.32 0.21 0.95 0.26 0.21 0.00 0.00 175.17 177.11 2cm9 s TRP 82 N -0.50 3.45 0.13 4.23 0.52 -1.26 0.37 118.94 125.88 2cm9 s TRP 82 Ca 0.25 1.68 0.05 0.00 0.02 0.00 0.00 56.10 58.10 2cm9 s TRP 82 Cb -0.17 -2.88 -0.04 0.00 -1.15 0.00 0.00 33.47 29.23 2cm9 s TRP 82 CO 0.13 0.01 -0.12 0.00 0.02 0.00 0.00 176.95 176.99 2cm9 s ALA 83 N -1.96 1.43 -0.00 0.98 0.00 0.34 -4.83 121.76 117.71 2cm9 s ALA 83 Ca 0.58 -1.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 2cm9 s ALA 83 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2cm9 s ALA 83 CO 0.17 -0.02 0.16 0.45 0.00 0.00 0.00 175.76 176.52 2cm9 s SER 84 N -2.82 -0.01 0.05 0.00 0.15 -1.26 -2.01 113.70 107.80 2cm9 s SER 84 Ca 0.12 -0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.45 2cm9 s SER 84 Cb -0.01 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2cm9 s SER 84 CO 0.02 -0.36 0.39 0.42 1.20 0.00 0.00 173.24 174.91 2cm9 s THR 85 N -1.30 0.06 -0.11 6.45 -4.23 0.02 -5.01 115.64 111.52 2cm9 s THR 85 Ca -0.14 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2cm9 s THR 85 Cb -0.07 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.79 2cm9 s THR 85 CO 0.02 -0.28 -0.15 -1.81 -0.54 0.00 0.00 174.62 171.86 2cm9 s ASP 86 N -2.06 3.89 0.12 3.99 1.01 -1.26 -0.16 116.67 122.20 2cm9 s ASP 86 Ca -0.05 -0.34 0.06 0.00 0.71 0.00 0.00 52.55 52.94 2cm9 s ASP 86 Cb -0.01 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.42 2cm9 s ASP 86 CO -0.03 0.19 -0.15 0.26 0.21 0.00 0.00 175.17 175.65 2cm9 s TRP 87 N 0.20 1.46 -0.26 4.23 0.52 0.33 -4.71 118.94 120.71 2cm9 s TRP 87 Ca -0.09 -0.53 -0.06 0.00 0.02 0.00 0.00 56.10 55.44 2cm9 s TRP 87 Cb -0.15 -0.76 -0.00 0.00 -1.15 0.00 0.00 33.47 31.40 2cm9 s TRP 87 CO 0.05 0.17 0.04 0.99 0.02 0.00 0.00 176.95 178.22 2cm9 s THR 88 N -2.02 3.88 -0.14 2.01 2.01 -0.59 -0.15 115.64 120.64 2cm9 s THR 88 Ca 0.09 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 2cm9 s THR 88 Cb -0.06 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2cm9 s THR 88 CO 0.03 0.23 0.41 -0.36 -0.69 0.00 0.00 174.62 174.24 2cm9 s PHE 89 N 1.52 3.48 -0.28 4.92 2.99 -0.17 -1.63 117.98 128.82 2cm9 s PHE 89 Ca 0.04 0.77 -0.06 0.00 0.00 0.00 0.00 56.93 57.68 2cm9 s PHE 89 Cb -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 43.02 40.38 2cm9 s PHE 89 CO 0.01 0.18 0.06 0.99 -0.00 0.00 0.00 175.22 176.45 2cm9 s THR 90 N 0.63 3.87 -0.15 0.64 2.01 0.27 0.18 115.64 123.09 2cm9 s THR 90 Ca 0.22 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 2cm9 s THR 90 Cb -0.14 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2cm9 s THR 90 CO 0.08 0.16 0.08 -0.76 -0.69 0.00 0.00 174.62 173.49 2cm9 s LEU 91 N 1.50 3.98 -0.38 4.42 1.43 0.17 -1.17 118.68 128.63 2cm9 s LEU 91 Ca 0.03 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2cm9 s LEU 91 Cb -0.17 -1.98 0.16 0.00 0.03 0.00 0.00 46.19 44.23 2cm9 s LEU 91 CO 0.01 0.28 0.31 -0.62 0.23 0.00 0.00 176.35 176.56 2cm9 s ASP 92 N -0.27 1.90 1.38 2.29 3.68 -0.79 -4.85 116.67 120.01 2cm9 s ASP 92 Ca 0.09 -2.43 0.00 0.00 2.13 0.00 0.00 52.55 52.34 2cm9 s ASP 92 Cb -0.12 -0.17 0.00 0.00 -1.45 0.00 0.00 42.92 41.18 2cm9 s ASP 92 CO 0.01 -0.24 0.00 0.61 0.13 0.00 0.00 175.17 175.69 2cm9 n GLY 93 N 3.55 1.86 0.50 2.66 0.00 -1.26 -1.81 105.19 110.68 2cm9 n GLY 93 Ca 0.19 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2cm9 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cm9 n ALA 94 N 8.65 3.20 -2.19 4.61 0.00 -1.25 0.13 120.51 133.66 2cm9 n ALA 94 Ca 0.00 -0.57 -0.37 0.00 0.00 0.00 0.00 53.44 52.50 2cm9 n ALA 94 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 2cm9 n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cm9 s LYS 95 N -2.38 4.19 -0.12 0.00 1.02 -0.75 -0.54 119.74 121.16 2cm9 s LYS 95 Ca 0.23 0.76 -0.02 0.00 0.02 0.00 0.00 55.97 56.96 2cm9 s LYS 95 Cb 0.19 -2.98 0.04 0.00 -0.52 0.00 0.00 37.83 34.56 2cm9 s LYS 95 CO 0.50 0.47 -0.00 0.08 -0.92 0.00 0.00 175.35 175.48 2cm9 s VAL 96 N -1.41 0.58 -0.37 3.17 1.01 -0.01 -1.88 120.40 121.49 2cm9 s VAL 96 Ca 0.39 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 2cm9 s VAL 96 Cb -0.17 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.44 2cm9 s VAL 96 CO 0.20 0.13 0.17 -0.89 0.00 0.00 0.00 175.10 174.71 2cm9 s THR 97 N 1.87 4.01 -0.22 3.92 2.01 -0.32 -0.74 115.64 126.17 2cm9 s THR 97 Ca 0.03 -1.23 -0.11 0.00 0.31 0.00 0.00 61.69 60.69 2cm9 s THR 97 Cb -0.14 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2cm9 s THR 97 CO -0.07 -0.32 0.20 0.00 -0.69 0.00 0.00 174.62 173.74 2cm9 s ALA 98 N 1.42 3.62 0.05 7.40 0.00 0.74 -0.56 121.76 134.42 2cm9 s ALA 98 Ca 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2cm9 s ALA 98 Cb -0.21 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2cm9 s ALA 98 CO 0.03 -0.10 -0.19 0.95 0.00 0.00 0.00 175.76 176.44 2cm9 s THR 99 N 0.89 1.56 -0.27 0.00 -4.23 -0.64 -0.00 115.64 112.95 2cm9 s THR 99 Ca 0.10 -1.19 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2cm9 s THR 99 Cb -0.13 -1.37 0.15 0.00 1.34 0.00 0.00 72.50 72.49 2cm9 s THR 99 CO 0.03 0.14 0.50 -0.22 -0.54 0.00 0.00 174.62 174.54 2cm9 s LEU 100 N -1.23 -0.98 0.00 4.79 2.96 -0.29 -1.54 118.68 122.39 2cm9 s LEU 100 Ca 0.06 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 2cm9 s LEU 100 Cb -0.09 1.68 0.00 0.00 0.50 0.00 0.00 46.19 48.28 2cm9 s LEU 100 CO 0.02 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 2cm9 n GLY 101 N 5.40 3.70 0.66 7.98 0.00 -1.26 -0.08 105.19 121.60 2cm9 n GLY 101 Ca -0.04 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.01 2cm9 n GLY 101 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cm9 n GLN 102 N 14.00 1.86 -3.05 1.61 1.13 -1.26 -4.87 117.38 126.80 2cm9 n GLN 102 Ca 0.00 -1.30 -0.40 0.00 -1.94 0.00 0.00 57.00 53.36 2cm9 n GLN 102 Cb 0.00 -1.38 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 2cm9 n GLN 102 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2cm9 s LEU 103 N -1.39 4.25 -0.09 1.08 1.43 0.89 -5.05 118.68 119.81 2cm9 s LEU 103 Ca 0.31 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.50 2cm9 s LEU 103 Cb 0.17 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.37 2cm9 s LEU 103 CO 0.24 -0.19 -0.09 -0.89 0.23 0.00 0.00 176.35 175.65 2cm9 s THR 104 N 1.25 1.01 -0.11 5.49 2.01 -1.26 -1.14 115.64 122.88 2cm9 s THR 104 Ca 0.35 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2cm9 s THR 104 Cb -0.17 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.36 2cm9 s THR 104 CO 0.15 0.35 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.13 2cm9 s GLN 105 N 1.25 2.63 -0.16 4.92 -0.21 1.00 -4.98 119.66 124.10 2cm9 s GLN 105 Ca -0.04 -0.72 -0.04 0.00 0.02 0.00 0.00 55.36 54.58 2cm9 s GLN 105 Cb -0.14 -2.10 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 2cm9 s GLN 105 CO -0.03 0.04 -0.02 -0.80 -2.12 0.00 0.00 175.29 172.36 2cm9 s ASN 106 N 0.69 4.87 0.13 5.90 0.01 -1.26 -0.19 114.94 125.08 2cm9 s ASN 106 Ca -0.12 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 51.95 2cm9 s ASN 106 Cb -0.16 -1.80 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 2cm9 s ASN 106 CO 0.02 0.15 -0.11 -0.13 -1.51 0.00 0.00 177.10 175.53 2cm9 s ARG 107 N 0.46 0.99 -0.12 -0.60 0.52 0.08 -0.54 118.95 119.75 2cm9 s ARG 107 Ca -0.03 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 53.84 2cm9 s ARG 107 Cb -0.14 -0.64 0.03 0.00 0.52 0.00 0.00 34.95 34.73 2cm9 s ARG 107 CO 0.03 0.09 -0.02 -2.00 0.02 0.00 0.00 175.30 173.41 2cm9 s GLU 108 N -3.31 0.99 -0.46 3.54 2.12 -0.32 -0.83 118.70 120.43 2cm9 s GLU 108 Ca 0.12 -0.17 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 2cm9 s GLU 108 Cb -0.00 -1.48 -0.01 0.00 0.26 0.00 0.00 34.13 32.90 2cm9 s GLU 108 CO 0.01 -0.37 1.68 0.08 -0.54 0.00 0.00 175.26 176.12 2cm9 s VAL 109 N 1.83 3.57 -0.00 3.70 1.01 0.30 -1.04 120.40 129.77 2cm9 s VAL 109 Ca 0.03 0.52 0.11 0.00 0.00 0.00 0.00 61.98 62.64 2cm9 s VAL 109 Cb -0.14 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.07 2cm9 s VAL 109 CO -0.07 -0.73 0.81 0.58 0.00 0.00 0.00 175.10 175.69 2cm9 h VAL 110 N 6.70 1.06 -3.92 2.92 2.07 -1.02 -3.46 116.25 120.59 2cm9 h VAL 110 Ca -0.29 -2.88 -0.28 0.00 0.82 0.00 0.00 66.70 64.07 2cm9 h VAL 110 Cb 1.14 2.53 -0.25 0.00 -1.52 0.00 0.00 31.29 33.19 2cm9 h VAL 110 CO 1.12 0.61 -0.74 -0.47 0.02 0.00 0.00 177.57 178.11 2cm9 s TYR 111 N -2.62 0.47 -0.03 1.57 6.14 -1.07 -4.97 117.35 116.84 2cm9 s TYR 111 Ca -0.03 -0.28 -0.01 0.00 0.64 0.00 0.00 57.07 57.38 2cm9 s TYR 111 Cb 0.08 -0.29 0.03 0.00 0.42 0.00 0.00 41.96 42.20 2cm9 s TYR 111 CO 0.82 -0.06 0.04 0.34 0.64 0.00 0.00 175.55 177.34 2cm9 s ASP 112 N -0.81 0.64 0.80 4.32 3.68 -1.26 -0.63 116.67 123.41 2cm9 s ASP 112 Ca -0.05 0.04 -0.12 0.00 2.13 0.00 0.00 52.55 54.56 2cm9 s ASP 112 Cb -0.06 -0.13 0.08 0.00 -1.45 0.00 0.00 42.92 41.36 2cm9 s ASP 112 CO -0.00 -0.18 1.15 -0.94 0.13 0.00 0.00 175.17 175.33 2cm9 s SER 113 N 1.58 3.82 0.27 -0.34 1.04 0.02 -0.32 113.70 119.77 2cm9 s SER 113 Ca -0.02 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.58 2cm9 s SER 113 Cb -0.13 -2.57 0.63 0.00 0.10 0.00 0.00 66.02 64.06 2cm9 s SER 113 CO -0.03 -2.51 1.68 1.56 0.98 0.00 0.00 173.24 174.93 2cm9 h GLN 114 N -1.05 0.31 -0.54 4.02 4.20 -1.84 0.21 115.11 120.42 2cm9 h GLN 114 Ca -0.45 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2cm9 h GLN 114 Cb 1.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2cm9 h GLN 114 CO 0.47 0.20 0.00 0.43 -0.67 0.00 0.00 178.83 179.26 2cm9 n SER 115 N -5.12 3.58 -2.93 1.46 7.64 -1.26 -4.65 113.62 112.34 2cm9 n SER 115 Ca 0.19 -1.99 -0.19 0.00 1.01 0.00 0.00 58.87 57.90 2cm9 n SER 115 Cb 0.59 -0.36 0.06 0.00 -1.01 0.00 0.00 64.21 63.50 2cm9 n SER 115 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2cm9 n HIS 116 N 1.51 -2.27 0.00 1.43 8.25 0.06 -4.92 115.22 119.28 2cm9 n HIS 116 Ca 0.21 0.80 -0.14 0.00 -0.26 0.00 0.00 57.72 58.34 2cm9 n HIS 116 Cb 0.60 -4.18 -0.14 0.00 1.12 0.00 0.00 29.99 27.38 2cm9 n HIS 116 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2cm9 h HIS 117 N -2.12 0.23 -3.49 4.41 6.17 -1.87 -3.43 115.15 115.05 2cm9 h HIS 117 Ca -0.45 -0.16 -0.11 0.00 0.71 0.00 0.00 60.37 60.36 2cm9 h HIS 117 Cb 1.29 -0.01 -0.17 0.00 2.52 0.00 0.00 27.41 31.04 2cm9 h HIS 117 CO 0.39 1.32 -0.36 0.00 0.71 0.00 0.00 177.93 179.98 2cm9 s HIS 119 N -2.47 0.12 -0.12 0.00 -3.43 -0.60 -0.80 115.29 108.00 2cm9 s HIS 119 Ca -0.06 -0.52 0.01 0.00 -0.80 0.00 0.00 55.06 53.69 2cm9 s HIS 119 Cb -0.01 0.01 -0.01 0.00 -1.43 0.00 0.00 32.58 31.13 2cm9 s HIS 119 CO -0.03 -0.61 -0.15 0.08 -2.00 0.00 0.00 174.74 172.03 2cm9 s VAL 120 N -3.87 2.87 0.06 -5.38 1.01 0.20 -1.85 120.40 113.44 2cm9 s VAL 120 Ca 0.07 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2cm9 s VAL 120 Cb 0.04 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2cm9 s VAL 120 CO -0.09 0.53 -0.06 -1.81 0.00 0.00 0.00 175.10 173.67 2cm9 s ASP 121 N 0.32 4.65 -0.21 3.32 1.01 -0.09 -0.38 116.67 125.30 2cm9 s ASP 121 Ca -0.12 -0.24 -0.06 0.00 0.71 0.00 0.00 52.55 52.84 2cm9 s ASP 121 Cb -0.16 -1.02 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 2cm9 s ASP 121 CO 0.06 0.21 0.03 -0.75 0.21 0.00 0.00 175.17 174.94 2cm9 s LYS 122 N -1.95 3.70 -0.45 8.23 2.20 -0.21 -1.48 119.74 129.79 2cm9 s LYS 122 Ca 0.21 -0.47 -0.20 0.00 -0.36 0.00 0.00 55.97 55.14 2cm9 s LYS 122 Cb -0.11 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.07 2cm9 s LYS 122 CO 0.13 0.02 0.64 0.08 -0.36 0.00 0.00 175.35 175.85 2cm9 s VAL 123 N 1.01 4.84 -0.09 4.02 1.01 0.64 -1.17 120.40 130.66 2cm9 s VAL 123 Ca 0.03 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 2cm9 s VAL 123 Cb -0.14 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2cm9 s VAL 123 CO 0.02 -0.62 1.73 -1.61 0.00 0.00 0.00 175.10 174.62 2cm9 s GLU 124 N 2.79 4.02 0.03 2.72 0.41 0.30 -2.75 118.70 126.22 2cm9 s GLU 124 Ca 0.22 2.12 -0.29 0.00 -0.41 0.00 0.00 54.97 56.61 2cm9 s GLU 124 Cb -0.15 -4.05 0.11 0.00 -1.78 0.00 0.00 34.13 28.26 2cm9 s GLU 124 CO 0.18 -1.05 1.22 -1.59 -0.49 0.00 0.00 175.26 173.53 2cm9 s LYS 125 N 4.40 0.59 0.20 1.61 -2.85 -1.26 -4.56 119.74 117.87 2cm9 s LYS 125 Ca 0.77 -0.33 -0.23 0.00 -1.00 0.00 0.00 55.97 55.18 2cm9 s LYS 125 Cb -0.33 0.20 0.11 0.00 -2.06 0.00 0.00 37.83 35.75 2cm9 s LYS 125 CO 0.32 -0.27 1.55 1.49 0.10 0.00 0.00 175.35 178.53 2cm9 h GLU 126 N 2.00 -0.01 -4.11 1.78 4.81 -2.04 -2.82 114.58 114.19 2cm9 h GLU 126 Ca -0.29 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.26 2cm9 h GLU 126 Cb 1.21 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.22 2cm9 h GLU 126 CO 0.28 -0.01 -0.54 0.08 -0.73 0.00 0.00 179.01 178.10 2cm9 s VAL 127 N -5.77 3.14 0.62 0.32 1.01 -1.26 -5.09 120.40 113.37 2cm9 s VAL 127 Ca -0.13 -2.54 -0.19 0.00 0.00 0.00 0.00 61.98 59.12 2cm9 s VAL 127 Cb 0.16 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2cm9 s VAL 127 CO 0.68 -0.74 1.30 -2.65 0.00 0.00 0.00 175.10 173.68 2cm9 n PRO 128 N 4.01 1.28 -4.26 2.72 -0.02 -1.07 -5.04 135.00 132.63 2cm9 n PRO 128 Ca 0.03 0.49 -0.24 0.00 -2.02 0.00 0.00 63.50 61.76 2cm9 n PRO 128 Cb 0.39 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 2cm9 n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cm9 s ASP 129 N -1.23 4.35 -0.02 2.55 1.01 -1.11 -4.95 116.67 117.28 2cm9 s ASP 129 Ca 0.79 -0.92 0.04 0.00 0.71 0.00 0.00 52.55 53.16 2cm9 s ASP 129 Cb -0.39 -0.60 -0.01 0.00 1.01 0.00 0.00 42.92 42.93 2cm9 s ASP 129 CO 0.43 -0.27 -0.12 -0.31 0.21 0.00 0.00 175.17 175.11 2cm9 s TYR 130 N -2.49 1.15 0.09 4.23 1.51 -1.26 -0.26 117.35 120.32 2cm9 s TYR 130 Ca 0.36 -0.25 0.05 0.00 -1.01 0.00 0.00 57.07 56.22 2cm9 s TYR 130 Cb -0.01 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 41.05 2cm9 s TYR 130 CO 0.20 -0.05 -0.12 -1.21 -1.11 0.00 0.00 175.55 173.26 2cm9 s GLU 131 N -0.16 0.87 -0.17 -0.62 2.02 -0.55 -1.98 118.70 118.11 2cm9 s GLU 131 Ca 0.02 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.92 2cm9 s GLU 131 Cb -0.06 -0.72 0.02 0.00 0.10 0.00 0.00 34.13 33.47 2cm9 s GLU 131 CO -0.00 0.14 -0.19 1.41 0.02 0.00 0.00 175.26 176.64 2cm9 s MET 132 N -2.38 2.83 0.14 1.61 1.75 -0.46 -0.92 119.30 121.88 2cm9 s MET 132 Ca 0.03 -0.78 0.07 0.00 -1.25 0.00 0.00 55.69 53.77 2cm9 s MET 132 Cb -0.06 -2.47 -0.04 0.00 2.84 0.00 0.00 34.83 35.10 2cm9 s MET 132 CO 0.02 -0.22 -0.08 -1.58 -0.65 0.00 0.00 175.02 172.51 2cm9 s TRP 133 N 1.33 2.74 0.09 4.11 0.52 -0.77 -0.64 118.94 126.32 2cm9 s TRP 133 Ca 0.05 -0.16 -0.22 0.00 0.02 0.00 0.00 56.10 55.78 2cm9 s TRP 133 Cb -0.13 -1.39 0.06 0.00 -1.15 0.00 0.00 33.47 30.86 2cm9 s TRP 133 CO -0.12 0.47 0.53 0.00 0.02 0.00 0.00 176.95 177.85 2cm9 s MET 134 N -2.50 1.12 0.44 4.98 0.23 -0.61 -1.55 119.30 121.40 2cm9 s MET 134 Ca 0.23 -0.36 -0.25 0.00 -1.03 0.00 0.00 55.69 54.29 2cm9 s MET 134 Cb -0.10 0.51 -0.09 0.00 -1.53 0.00 0.00 34.83 33.62 2cm9 s MET 134 CO 0.15 -0.43 1.36 1.28 -2.03 0.00 0.00 175.02 175.35 2cm9 n LEU 135 N 0.09 4.66 -3.54 0.18 4.77 -0.27 -0.90 117.00 121.99 2cm9 n LEU 135 Ca -0.18 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.51 2cm9 n LEU 135 Cb 0.62 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.14 2cm9 n LEU 135 CO 0.17 -0.37 3.01 -0.67 -1.33 0.00 0.00 177.39 178.20 2cm9 n ASP 136 N -0.02 6.04 -3.64 -1.43 4.64 -1.25 -4.81 116.55 116.09 2cm9 n ASP 136 Ca 0.06 -2.72 -0.10 0.00 -1.38 0.00 0.00 54.79 50.65 2cm9 n ASP 136 Cb 0.41 -1.61 -0.03 0.00 -1.04 0.00 0.00 41.12 38.85 2cm9 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2cm9 s ALA 137 N 2.76 -1.15 0.95 -1.67 0.00 -1.26 -5.11 121.76 116.27 2cm9 s ALA 137 Ca 0.57 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.48 2cm9 s ALA 137 Cb 0.16 0.84 0.10 0.00 0.00 0.00 0.00 23.12 24.21 2cm9 s ALA 137 CO -0.07 -0.79 0.59 0.41 0.00 0.00 0.00 175.76 175.90 2cm9 n GLY 138 N -0.34 -1.08 0.00 0.00 0.00 -1.26 -5.00 105.19 97.50 2cm9 n GLY 138 Ca -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2cm9 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cm9 n GLY 139 N 1.10 -0.23 4.26 -0.02 0.00 -1.26 -4.95 105.19 104.10 2cm9 n GLY 139 Ca 0.08 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 2cm9 n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cm9 n LEU 140 N -1.16 -1.61 0.28 0.99 4.77 -1.26 -4.82 117.00 114.20 2cm9 n LEU 140 Ca 0.00 -1.04 0.15 0.00 -0.03 0.00 0.00 56.01 55.08 2cm9 n LEU 140 Cb 0.00 -2.03 0.85 0.00 -2.33 0.00 0.00 43.42 39.91 2cm9 n LEU 140 CO 0.00 0.27 1.06 -0.33 -1.33 0.00 0.00 177.39 177.06 2cm9 h GLU 141 N -1.44 0.00 -0.15 3.23 3.07 -1.98 -0.91 114.58 116.41 2cm9 h GLU 141 Ca -0.59 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.09 2cm9 h GLU 141 Cb 1.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 2cm9 h GLU 141 CO 0.79 0.05 -0.63 0.28 -1.40 0.00 0.00 179.01 178.11 2cm9 h VAL 142 N 0.00 1.34 -0.51 3.13 2.07 -1.99 -0.18 116.25 120.11 2cm9 h VAL 142 Ca -0.00 -1.92 -0.13 0.00 0.82 0.00 0.00 66.70 65.47 2cm9 h VAL 142 Cb 0.16 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2cm9 h VAL 142 CO 0.01 0.59 -0.18 -0.33 0.02 0.00 0.00 177.57 177.68 2cm9 h GLU 143 N 0.38 1.02 -0.55 1.57 5.08 -1.57 -0.01 114.58 120.51 2cm9 h GLU 143 Ca -0.01 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2cm9 h GLU 143 Cb 1.19 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2cm9 h GLU 143 CO 0.12 1.10 0.28 0.28 -1.00 0.00 0.00 179.01 179.79 2cm9 h VAL 144 N 0.88 1.19 -0.68 3.13 2.07 -1.14 -0.92 116.25 120.79 2cm9 h VAL 144 Ca 0.12 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2cm9 h VAL 144 Cb 0.76 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2cm9 h VAL 144 CO 0.06 0.21 0.41 -0.08 0.02 0.00 0.00 177.57 178.19 2cm9 h GLU 145 N 0.73 0.93 -0.76 1.57 4.57 -0.75 -1.58 114.58 119.29 2cm9 h GLU 145 Ca 0.19 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2cm9 h GLU 145 Cb 0.08 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 2cm9 h GLU 145 CO -0.03 0.66 0.47 0.00 -1.18 0.00 0.00 179.01 178.93 2cm9 h ARG 148 N 0.75 0.87 -0.54 0.00 3.08 -0.68 0.23 114.38 118.08 2cm9 h ARG 148 Ca 0.19 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 2cm9 h ARG 148 Cb 0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2cm9 h ARG 148 CO -0.03 0.57 0.09 0.37 -1.07 0.00 0.00 179.97 179.90 2cm9 h GLN 149 N 0.89 0.90 -0.35 0.04 4.15 -0.29 -1.41 115.11 119.05 2cm9 h GLN 149 Ca 0.26 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 2cm9 h GLN 149 Cb -0.05 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2cm9 h GLN 149 CO -0.08 0.87 -0.13 0.87 -1.93 0.00 0.00 178.83 178.43 2cm9 h LYS 150 N 0.79 0.61 -0.42 1.69 1.79 -0.46 -2.37 116.57 118.20 2cm9 h LYS 150 Ca 0.16 -0.19 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 2cm9 h LYS 150 Cb 0.41 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2cm9 h LYS 150 CO 0.01 0.72 -0.27 1.25 -1.08 0.00 0.00 179.45 180.09 2cm9 h LEU 151 N 0.56 0.91 -1.19 2.94 5.85 -0.70 -2.04 115.31 121.64 2cm9 h LEU 151 Ca 0.10 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2cm9 h LEU 151 Cb 0.55 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2cm9 h LEU 151 CO 0.03 1.12 0.32 -0.08 -0.34 0.00 0.00 178.44 179.49 2cm9 h GLU 152 N 0.75 0.88 -0.13 1.25 4.57 -0.97 0.13 114.58 121.07 2cm9 h GLU 152 Ca 0.09 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2cm9 h GLU 152 Cb 0.83 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2cm9 h GLU 152 CO 0.07 0.67 -0.03 0.93 -1.18 0.00 0.00 179.01 179.47 2cm9 h GLU 153 N 0.88 0.25 -0.08 1.92 5.08 -1.21 0.15 114.58 121.56 2cm9 h GLU 153 Ca 0.22 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2cm9 h GLU 153 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2cm9 h GLU 153 CO -0.03 0.54 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.98 2cm9 h LEU 154 N -0.07 0.21 -3.97 1.33 3.38 -1.07 -3.30 115.31 111.83 2cm9 h LEU 154 Ca 0.03 -0.10 -0.40 0.00 0.09 0.00 0.00 57.88 57.51 2cm9 h LEU 154 Cb 0.45 -0.06 -0.37 0.00 0.09 0.00 0.00 40.66 40.77 2cm9 h LEU 154 CO 0.01 0.66 -0.85 0.00 0.09 0.00 0.00 178.44 178.35 2cm9 n ALA 155 N -2.47 4.22 -1.74 1.53 0.00 0.43 -5.06 120.51 117.42 2cm9 n ALA 155 Ca -0.02 -3.45 -0.42 0.00 0.00 0.00 0.00 53.44 49.56 2cm9 n ALA 155 Cb 0.52 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 2cm9 n ALA 155 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cm9 n SER 156 N -0.69 3.63 0.00 0.00 3.41 0.51 -1.85 113.62 118.63 2cm9 n SER 156 Ca 0.31 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 60.10 2cm9 n SER 156 Cb 0.91 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2cm9 n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cm9 n GLY 157 N 1.54 1.28 3.74 5.00 0.00 -1.26 -5.03 105.19 110.45 2cm9 n GLY 157 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2cm9 n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cm9 s ARG 158 N -0.34 4.16 0.46 1.61 1.81 -0.77 -5.07 118.95 120.81 2cm9 s ARG 158 Ca 0.00 -0.05 -0.24 0.00 -1.72 0.00 0.00 55.73 53.72 2cm9 s ARG 158 Cb 0.00 -3.40 -0.07 0.00 -0.45 0.00 0.00 34.95 31.03 2cm9 s ARG 158 CO 0.00 0.32 1.33 1.21 -0.68 0.00 0.00 175.30 177.48 2cm9 s ASN 159 N 0.27 5.88 0.10 0.23 3.84 -1.26 -5.00 114.94 118.99 2cm9 s ASN 159 Ca 0.13 2.71 0.08 0.00 0.21 0.00 0.00 52.86 55.99 2cm9 s ASN 159 Cb -0.12 -2.64 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 2cm9 s ASN 159 CO 0.02 -1.15 -0.17 -1.10 -2.79 0.00 0.00 177.10 171.90 2cm9 s GLN 160 N -2.55 1.89 0.19 0.43 -0.21 -1.26 -4.37 119.66 113.78 2cm9 s GLN 160 Ca 0.63 -1.11 0.08 0.00 0.02 0.00 0.00 55.36 54.97 2cm9 s GLN 160 Cb -0.39 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 2cm9 s GLN 160 CO 0.49 0.50 0.00 -1.64 -2.12 0.00 0.00 175.29 172.52 2cm9 s MET 161 N -1.96 2.40 -0.65 2.91 -1.94 0.19 -4.92 119.30 115.34 2cm9 s MET 161 Ca 0.17 -1.14 0.04 0.00 -1.71 0.00 0.00 55.69 53.05 2cm9 s MET 161 Cb -0.11 -2.34 0.16 0.00 2.01 0.00 0.00 34.83 34.55 2cm9 s MET 161 CO 0.09 0.44 0.42 0.71 -0.01 0.00 0.00 175.02 176.68 2cm9 s TYR 162 N -1.81 3.45 0.43 -0.03 2.02 -1.26 -2.12 117.35 118.04 2cm9 s TYR 162 Ca 0.28 -3.27 0.10 0.00 -0.37 0.00 0.00 57.07 53.81 2cm9 s TYR 162 Cb -0.09 -2.77 0.95 0.00 -0.40 0.00 0.00 41.96 39.66 2cm9 s TYR 162 CO 0.19 -0.62 2.04 -1.35 -1.57 0.00 0.00 175.55 174.24 2cm9 h PRO 163 N 5.80 0.28 -0.00 -1.71 0.11 -1.75 -2.73 132.00 132.01 2cm9 h PRO 163 Ca 0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2cm9 h PRO 163 Cb 0.80 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2cm9 h PRO 163 CO 0.71 0.26 -0.11 1.58 -0.21 0.00 0.00 178.00 180.24 2cm9 n HIS 164 N -4.43 0.00 -2.23 0.65 -0.00 -1.07 -0.42 115.22 107.72 2cm9 n HIS 164 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 2cm9 n HIS 164 Cb 0.14 -0.42 0.02 0.00 -0.12 0.00 0.00 29.99 29.61 2cm9 n HIS 164 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2cm9 n LEU 165 N -1.46 7.43 -2.52 0.27 4.77 -1.03 -4.40 117.00 120.06 2cm9 n LEU 165 Ca 0.08 -5.06 -0.12 0.00 -0.03 0.00 0.00 56.01 50.88 2cm9 n LEU 165 Cb 0.33 -1.14 0.03 0.00 -2.33 0.00 0.00 43.42 40.31 2cm9 n LEU 165 CO 0.28 1.91 0.05 0.29 -1.33 0.00 0.00 177.39 178.59 2cm9 n LYS 166 N -0.14 2.40 -3.49 3.23 4.76 -1.25 -4.96 118.16 118.71 2cm9 n LYS 166 Ca 0.51 -3.78 -0.18 0.00 -2.87 0.00 0.00 58.31 51.99 2cm9 n LYS 166 Cb 0.26 -1.82 0.08 0.00 -1.84 0.00 0.00 35.03 31.71 2cm9 n LYS 166 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2cm9 n ASP 167 N -0.53 -2.26 -0.18 4.39 8.00 -1.26 -4.89 116.55 119.82 2cm9 n ASP 167 Ca 0.22 -0.65 0.15 0.00 0.71 0.00 0.00 54.79 55.23 2cm9 n ASP 167 Cb 0.84 -4.95 0.79 0.00 -0.02 0.00 0.00 41.12 37.78 2cm9 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81