#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cm4 s THR 25 N 0.00 2.31 0.00 0.00 2.01 -1.26 -4.97 115.64 113.73 2cm4 s THR 25 Ca 0.00 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2cm4 s THR 25 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2cm4 s THR 25 CO 0.00 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2cm4 n GLY 26 N 2.71 3.61 3.69 4.40 0.00 -1.26 -4.64 105.19 113.70 2cm4 n GLY 26 Ca 0.10 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2cm4 n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cm4 s SER 27 N 0.04 7.09 -0.04 1.61 0.15 0.41 -4.69 113.70 118.26 2cm4 s SER 27 Ca 0.00 1.32 -0.06 0.00 0.70 0.00 0.00 55.95 57.91 2cm4 s SER 27 Cb 0.00 -2.48 0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2cm4 s SER 27 CO 0.00 -0.29 0.16 -1.61 1.20 0.00 0.00 173.24 172.70 2cm4 s GLU 28 N 1.47 0.27 0.76 5.44 2.02 -1.26 -3.94 118.70 123.46 2cm4 s GLU 28 Ca 0.42 0.06 -0.11 0.00 0.02 0.00 0.00 54.97 55.35 2cm4 s GLU 28 Cb -0.18 0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.22 2cm4 s GLU 28 CO 0.18 -0.05 1.10 -1.25 0.02 0.00 0.00 175.26 175.26 2cm4 s PRO 29 N -0.31 2.27 0.12 0.39 0.04 -1.26 -5.09 135.00 131.16 2cm4 s PRO 29 Ca -0.04 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 2cm4 s PRO 29 Cb -0.03 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2cm4 s PRO 29 CO 0.01 -1.64 1.30 0.08 0.04 0.00 0.00 177.00 176.79 2cm4 s VAL 30 N -2.77 3.54 -0.09 -0.36 1.01 -1.25 -5.02 120.40 115.46 2cm4 s VAL 30 Ca 0.63 1.14 -0.00 0.00 0.00 0.00 0.00 61.98 63.75 2cm4 s VAL 30 Cb -0.18 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2cm4 s VAL 30 CO 0.53 0.11 -0.04 -0.62 0.00 0.00 0.00 175.10 175.08 2cm4 s ASP 31 N 0.90 1.77 0.18 3.32 2.15 -1.26 -3.84 116.67 119.89 2cm4 s ASP 31 Ca 0.61 -0.19 -0.14 0.00 0.43 0.00 0.00 52.55 53.26 2cm4 s ASP 31 Cb -0.34 -0.63 0.10 0.00 -0.30 0.00 0.00 42.92 41.75 2cm4 s ASP 31 CO 0.31 -0.13 1.81 0.00 -0.17 0.00 0.00 175.17 176.99 2cm4 h ALA 32 N 8.05 0.65 -0.73 3.66 0.00 -1.28 0.10 119.26 129.71 2cm4 h ALA 32 Ca -0.27 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2cm4 h ALA 32 Cb 1.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2cm4 h ALA 32 CO 0.36 -0.01 0.46 0.35 0.00 0.00 0.00 179.25 180.40 2cm4 h PHE 33 N 0.58 0.85 -0.56 0.00 -0.00 -1.96 -0.68 116.94 115.19 2cm4 h PHE 33 Ca 0.21 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 58.10 2cm4 h PHE 33 Cb 0.04 -0.28 -0.02 0.00 -0.00 0.00 0.00 35.95 35.69 2cm4 h PHE 33 CO -0.07 0.49 -0.05 1.96 -0.00 0.00 0.00 178.31 180.64 2cm4 h GLN 34 N 0.89 1.01 0.00 1.11 4.20 -1.86 0.03 115.11 120.48 2cm4 h GLN 34 Ca 0.29 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2cm4 h GLN 34 Cb 0.02 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2cm4 h GLN 34 CO -0.11 1.03 -0.04 0.00 -0.67 0.00 0.00 178.83 179.04 2cm4 h ALA 35 N 0.95 1.66 -0.40 3.87 0.00 -0.12 -0.75 119.26 124.46 2cm4 h ALA 35 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2cm4 h ALA 35 Cb 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2cm4 h ALA 35 CO 0.04 0.05 0.04 1.19 0.00 0.00 0.00 179.25 180.57 2cm4 n PHE 36 N -4.09 1.44 -3.76 0.00 3.72 -0.34 -4.80 117.46 109.62 2cm4 n PHE 36 Ca -0.03 -0.55 -0.28 0.00 -0.05 0.00 0.00 57.45 56.53 2cm4 n PHE 36 Cb 0.13 -0.40 0.03 0.00 -0.94 0.00 0.00 39.48 38.30 2cm4 n PHE 36 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2cm4 n SER 37 N 0.33 -5.06 -3.43 4.37 7.64 -0.29 -1.90 113.62 115.28 2cm4 n SER 37 Ca 0.20 -0.68 -0.25 0.00 1.01 0.00 0.00 58.87 59.15 2cm4 n SER 37 Cb 0.91 -4.04 0.03 0.00 -1.01 0.00 0.00 64.21 60.10 2cm4 n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2cm4 n GLU 38 N -4.61 -5.11 -1.78 1.43 1.02 -0.04 -2.10 120.64 109.46 2cm4 n GLU 38 Ca 0.03 0.70 -0.12 0.00 -0.02 0.00 0.00 57.16 57.75 2cm4 n GLU 38 Cb 0.54 -5.56 -0.03 0.00 -0.02 0.00 0.00 31.44 26.37 2cm4 n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cm4 n GLY 39 N -1.55 0.60 0.54 0.62 0.00 -0.80 -4.93 105.19 99.67 2cm4 n GLY 39 Ca -0.03 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.63 2cm4 n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cm4 n LYS 40 N -2.40 1.40 -4.12 1.61 4.76 -0.89 -4.75 118.16 113.78 2cm4 n LYS 40 Ca -0.13 -1.21 -0.09 0.00 -2.87 0.00 0.00 58.31 54.01 2cm4 n LYS 40 Cb 0.50 -1.28 -0.10 0.00 -1.84 0.00 0.00 35.03 32.30 2cm4 n LYS 40 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2cm4 s GLU 41 N -1.50 0.69 0.16 1.97 0.41 -1.26 -5.04 118.70 114.12 2cm4 s GLU 41 Ca 0.16 -1.23 -0.09 0.00 -0.41 0.00 0.00 54.97 53.41 2cm4 s GLU 41 Cb 0.13 0.02 -0.06 0.00 -1.78 0.00 0.00 34.13 32.43 2cm4 s GLU 41 CO 0.26 -0.06 0.47 0.00 -0.49 0.00 0.00 175.26 175.43 2cm4 s ALA 42 N -3.61 3.67 0.00 5.21 0.00 -1.26 -4.46 121.76 121.31 2cm4 s ALA 42 Ca 0.07 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.73 2cm4 s ALA 42 Cb 0.06 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2cm4 s ALA 42 CO -0.07 0.56 -0.15 0.71 0.00 0.00 0.00 175.76 176.81 2cm4 s TYR 43 N -1.62 1.34 -0.02 0.00 2.02 -0.48 -3.92 117.35 114.67 2cm4 s TYR 43 Ca 0.41 -0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 2cm4 s TYR 43 Cb -0.13 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 2cm4 s TYR 43 CO 0.21 -0.00 -0.09 0.14 -1.57 0.00 0.00 175.55 174.23 2cm4 s VAL 44 N -0.48 3.47 -0.25 0.71 -7.23 0.07 -0.62 120.40 116.07 2cm4 s VAL 44 Ca 0.05 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 59.18 2cm4 s VAL 44 Cb -0.06 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.42 2cm4 s VAL 44 CO -0.00 0.46 1.13 -0.22 -0.31 0.00 0.00 175.10 176.17 2cm4 s LEU 45 N -1.18 4.04 -0.04 1.32 2.96 -0.41 -1.52 118.68 123.85 2cm4 s LEU 45 Ca 0.15 1.33 0.12 0.00 -0.22 0.00 0.00 54.13 55.51 2cm4 s LEU 45 Cb -0.11 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.85 2cm4 s LEU 45 CO 0.05 -0.81 0.22 1.33 -1.32 0.00 0.00 176.35 175.83 2cm4 n VAL 46 N 5.61 0.20 -3.83 1.68 0.24 0.25 -2.88 118.33 119.61 2cm4 n VAL 46 Ca 0.13 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 2cm4 n VAL 46 Cb 0.46 -0.01 -0.13 0.00 -1.47 0.00 0.00 33.84 32.69 2cm4 n VAL 46 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2cm4 s ARG 47 N -2.75 0.14 -0.09 7.34 1.81 -1.16 -4.18 118.95 120.06 2cm4 s ARG 47 Ca -0.05 0.17 -0.15 0.00 -1.72 0.00 0.00 55.73 53.98 2cm4 s ARG 47 Cb 0.07 0.06 0.03 0.00 -0.45 0.00 0.00 34.95 34.67 2cm4 s ARG 47 CO 0.53 -0.02 0.38 0.45 -0.68 0.00 0.00 175.30 175.96 2cm4 s SER 48 N 0.09 -0.35 0.00 0.23 0.15 -0.54 -0.72 113.70 112.57 2cm4 s SER 48 Ca -0.00 0.53 0.26 0.00 0.70 0.00 0.00 55.95 57.44 2cm4 s SER 48 Cb -0.01 0.61 0.73 0.00 -1.71 0.00 0.00 66.02 65.64 2cm4 s SER 48 CO 0.00 -0.28 1.56 0.35 1.20 0.00 0.00 173.24 176.06 2cm4 n THR 49 N 2.14 0.00 -2.76 6.45 -2.24 -0.78 -0.09 114.28 117.00 2cm4 n THR 49 Ca -0.17 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.14 2cm4 n THR 49 Cb 0.57 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2cm4 n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cm4 s ASP 50 N -2.80 6.68 0.65 3.42 3.68 -1.26 -4.88 116.67 122.15 2cm4 s ASP 50 Ca 0.17 0.55 0.41 0.00 2.13 0.00 0.00 52.55 55.81 2cm4 s ASP 50 Cb 0.18 -2.48 2.27 0.00 -1.45 0.00 0.00 42.92 41.44 2cm4 s ASP 50 CO 0.61 -0.95 2.34 1.55 0.13 0.00 0.00 175.17 178.85 2cm4 h PRO 51 N 8.63 0.00 -0.38 4.34 0.13 -1.95 -1.50 132.00 141.27 2cm4 h PRO 51 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2cm4 h PRO 51 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2cm4 h PRO 51 CO 1.02 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.42 2cm4 n LYS 52 N -3.29 2.23 -1.66 0.86 5.02 -1.26 -4.98 118.16 115.09 2cm4 n LYS 52 Ca -0.03 -1.88 -0.45 0.00 -2.02 0.00 0.00 58.31 53.94 2cm4 n LYS 52 Cb 0.08 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 2cm4 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cm4 n ALA 53 N 1.07 0.77 -1.99 7.82 0.00 -0.57 -4.91 120.51 122.70 2cm4 n ALA 53 Ca 0.18 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.61 2cm4 n ALA 53 Cb 0.49 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 2cm4 n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2cm4 s ARG 54 N -0.84 4.40 0.33 0.00 3.00 -1.26 -4.98 118.95 119.60 2cm4 s ARG 54 Ca 0.65 2.05 -0.29 0.00 0.00 0.00 0.00 55.73 58.14 2cm4 s ARG 54 Cb -0.66 -3.19 -0.11 0.00 0.00 0.00 0.00 34.95 30.99 2cm4 s ARG 54 CO 0.54 -0.23 1.56 -0.25 0.00 0.00 0.00 175.30 176.92 2cm4 n ASP 55 N 2.48 3.89 -1.58 0.23 9.92 -1.26 -2.74 116.55 127.50 2cm4 n ASP 55 Ca 0.05 1.18 -0.19 0.00 -0.53 0.00 0.00 54.79 55.31 2cm4 n ASP 55 Cb 0.43 -1.61 -0.07 0.00 -0.64 0.00 0.00 41.12 39.23 2cm4 n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cm4 n LEU 57 N -2.25 3.51 -3.90 0.00 7.94 -1.11 -4.42 117.00 116.77 2cm4 n LEU 57 Ca -0.20 1.03 -0.11 0.00 -1.11 0.00 0.00 56.01 55.62 2cm4 n LEU 57 Cb 0.63 -1.46 -0.13 0.00 0.53 0.00 0.00 43.42 42.99 2cm4 n LEU 57 CO 0.28 -0.07 -0.36 -0.75 -1.11 0.00 0.00 177.39 175.38 2cm4 s LYS 58 N 2.21 0.10 -0.12 1.96 2.20 -0.04 -1.28 119.74 124.75 2cm4 s LYS 58 Ca 0.83 -0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 56.26 2cm4 s LYS 58 Cb -0.61 0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 35.71 2cm4 s LYS 58 CO 0.41 -0.01 -0.11 0.20 -0.36 0.00 0.00 175.35 175.48 2cm4 s GLY 59 N -0.42 1.59 -0.05 5.54 0.00 0.21 -0.73 107.32 113.47 2cm4 s GLY 59 Ca -0.05 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.80 2cm4 s GLY 59 CO -0.00 -0.28 -0.06 -1.83 0.00 0.00 0.00 173.10 170.93 2cm4 s GLU 60 N 0.10 0.97 0.44 2.90 -1.05 -0.30 -1.38 118.70 120.38 2cm4 s GLU 60 Ca -0.04 -0.16 -0.26 0.00 -0.15 0.00 0.00 54.97 54.36 2cm4 s GLU 60 Cb -0.14 -0.92 -0.09 0.00 -0.44 0.00 0.00 34.13 32.54 2cm4 s GLU 60 CO 0.04 -0.06 1.42 -2.30 0.95 0.00 0.00 175.26 175.31 2cm4 n PRO 61 N 3.97 2.25 -2.31 -4.83 -0.02 -1.26 -0.70 135.00 132.10 2cm4 n PRO 61 Ca -0.25 0.80 -0.15 0.00 -2.02 0.00 0.00 63.50 61.88 2cm4 n PRO 61 Cb 0.51 -2.60 0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2cm4 n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cm4 n ALA 62 N -0.15 4.13 0.00 3.55 0.00 0.08 -4.76 120.51 123.37 2cm4 n ALA 62 Ca 0.05 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.08 2cm4 n ALA 62 Cb 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2cm4 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cm4 n GLY 63 N -0.67 2.71 3.79 0.00 0.00 -1.26 -4.81 105.19 104.95 2cm4 n GLY 63 Ca 0.31 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2cm4 n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cm4 s GLU 64 N -1.98 2.00 0.26 1.61 0.41 -1.26 -4.59 118.70 115.15 2cm4 s GLU 64 Ca 0.00 0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 55.00 2cm4 s GLU 64 Cb 0.00 -1.90 -0.11 0.00 -1.78 0.00 0.00 34.13 30.34 2cm4 s GLU 64 CO 0.00 -1.70 1.55 0.21 -0.49 0.00 0.00 175.26 174.83 2cm4 s LYS 65 N -5.08 4.18 -0.30 1.61 2.20 -1.26 -4.57 119.74 116.52 2cm4 s LYS 65 Ca 0.61 2.46 0.03 0.00 -0.36 0.00 0.00 55.97 58.72 2cm4 s LYS 65 Cb -0.15 -3.07 0.08 0.00 -1.51 0.00 0.00 37.83 33.18 2cm4 s LYS 65 CO 0.55 -0.57 -0.02 -1.14 -0.36 0.00 0.00 175.35 173.81 2cm4 s GLN 66 N -0.14 1.79 7.98 4.03 0.74 0.21 -4.99 119.66 129.28 2cm4 s GLN 66 Ca 0.64 -1.59 0.00 0.00 0.05 0.00 0.00 55.36 54.46 2cm4 s GLN 66 Cb -0.45 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 30.64 2cm4 s GLN 66 CO 0.43 -0.77 0.00 -0.25 -0.55 0.00 0.00 175.29 174.15 2cm4 n ASP 67 N 4.36 0.00 -1.39 6.67 8.00 -1.26 -1.28 116.55 131.65 2cm4 n ASP 67 Ca -0.05 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.54 2cm4 n ASP 67 Cb 0.42 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.84 2cm4 n ASP 67 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2cm4 n ASN 68 N 8.81 4.55 -4.50 -2.24 6.94 -1.26 -4.98 115.26 122.58 2cm4 n ASN 68 Ca 0.00 -2.60 -0.24 0.00 -0.02 0.00 0.00 54.58 51.72 2cm4 n ASN 68 Cb 0.00 -0.55 -0.10 0.00 -2.36 0.00 0.00 39.78 36.77 2cm4 n ASN 68 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2cm4 s THR 69 N -2.11 2.57 -0.03 5.53 -4.23 -0.40 -0.57 115.64 116.41 2cm4 s THR 69 Ca 0.47 -2.33 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2cm4 s THR 69 Cb 0.32 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.79 2cm4 s THR 69 CO 0.19 -0.38 0.04 -0.22 -0.54 0.00 0.00 174.62 173.72 2cm4 s LEU 70 N -3.54 1.00 0.06 4.79 2.96 0.08 -0.62 118.68 123.41 2cm4 s LEU 70 Ca 0.30 0.07 -0.25 0.00 -0.22 0.00 0.00 54.13 54.04 2cm4 s LEU 70 Cb -0.04 -0.02 -0.06 0.00 0.50 0.00 0.00 46.19 46.56 2cm4 s LEU 70 CO 0.16 -0.14 0.77 -2.16 -1.32 0.00 0.00 176.35 173.66 2cm4 s PRO 71 N 1.13 4.50 -0.01 0.98 0.04 -1.26 -0.82 135.00 139.56 2cm4 s PRO 71 Ca -0.08 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2cm4 s PRO 71 Cb -0.13 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2cm4 s PRO 71 CO -0.03 0.32 -0.01 0.08 0.04 0.00 0.00 177.00 177.40 2cm4 s VAL 72 N -0.20 0.10 -0.21 -0.36 1.01 -0.17 -0.74 120.40 119.84 2cm4 s VAL 72 Ca 0.38 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 2cm4 s VAL 72 Cb -0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2cm4 s VAL 72 CO 0.23 0.06 0.10 -0.04 0.00 0.00 0.00 175.10 175.45 2cm4 s MET 73 N 0.25 4.01 -0.25 2.72 -1.94 0.12 -0.27 119.30 123.93 2cm4 s MET 73 Ca -0.02 -0.32 -0.09 0.00 -1.71 0.00 0.00 55.69 53.55 2cm4 s MET 73 Cb -0.04 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 2cm4 s MET 73 CO -0.01 0.16 0.12 -1.64 -0.01 0.00 0.00 175.02 173.64 2cm4 s MET 74 N 0.72 3.85 0.01 2.03 -1.94 0.77 -1.15 119.30 123.58 2cm4 s MET 74 Ca 0.05 -0.38 0.04 0.00 -1.71 0.00 0.00 55.69 53.70 2cm4 s MET 74 Cb -0.13 -3.45 -0.03 0.00 2.01 0.00 0.00 34.83 33.23 2cm4 s MET 74 CO 0.02 -0.09 -0.11 0.95 -0.01 0.00 0.00 175.02 175.78 2cm4 s THR 75 N 1.42 3.34 0.25 2.05 -4.23 0.09 -0.41 115.64 118.15 2cm4 s THR 75 Ca 0.06 -0.89 -0.21 0.00 -1.18 0.00 0.00 61.69 59.47 2cm4 s THR 75 Cb -0.15 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.29 2cm4 s THR 75 CO 0.06 0.39 0.68 0.72 -0.54 0.00 0.00 174.62 175.93 2cm4 s PHE 76 N -0.95 -0.24 -0.12 3.99 -0.71 -0.49 -0.86 117.98 118.59 2cm4 s PHE 76 Ca 0.16 -0.15 0.02 0.00 -1.04 0.00 0.00 56.93 55.91 2cm4 s PHE 76 Cb -0.11 0.64 -0.01 0.00 -1.21 0.00 0.00 43.02 42.34 2cm4 s PHE 76 CO 0.06 -1.13 -0.19 0.21 -1.34 0.00 0.00 175.22 172.84 2cm4 s LYS 77 N -3.88 3.21 -0.35 1.99 2.20 -0.37 0.45 119.74 122.99 2cm4 s LYS 77 Ca 0.09 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 2cm4 s LYS 77 Cb -0.04 -2.46 0.07 0.00 -1.51 0.00 0.00 37.83 33.88 2cm4 s LYS 77 CO 0.02 0.19 0.09 -1.14 -0.36 0.00 0.00 175.35 174.15 2cm4 s GLN 78 N 0.37 2.30 5.13 4.03 0.74 0.67 -3.99 119.66 128.90 2cm4 s GLN 78 Ca -0.15 -1.46 0.00 0.00 0.05 0.00 0.00 55.36 53.81 2cm4 s GLN 78 Cb -0.17 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.57 2cm4 s GLN 78 CO 0.07 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 2cm4 n GLY 79 N 4.64 1.44 0.00 2.59 0.00 -1.26 -1.34 105.19 111.26 2cm4 n GLY 79 Ca -0.09 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2cm4 n GLY 79 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2cm4 n THR 80 N 0.00 0.00 -3.02 2.61 5.66 -1.26 -5.01 114.28 113.26 2cm4 n THR 80 Ca 0.00 -0.30 -0.40 0.00 -3.05 0.00 0.00 64.05 60.29 2cm4 n THR 80 Cb 0.00 0.84 -0.05 0.00 -1.55 0.00 0.00 70.33 69.57 2cm4 n THR 80 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2cm4 s ASP 81 N -1.89 6.84 0.27 1.09 1.11 -0.45 -5.06 116.67 118.59 2cm4 s ASP 81 Ca 0.01 1.03 -0.29 0.00 0.18 0.00 0.00 52.55 53.48 2cm4 s ASP 81 Cb 0.05 -2.40 -0.09 0.00 1.07 0.00 0.00 42.92 41.54 2cm4 s ASP 81 CO 0.27 -0.29 0.97 0.26 1.18 0.00 0.00 175.17 177.56 2cm4 s TRP 82 N 1.79 3.84 0.19 4.23 0.52 -1.26 -0.24 118.94 128.01 2cm4 s TRP 82 Ca 0.34 1.85 0.01 0.00 0.02 0.00 0.00 56.10 58.32 2cm4 s TRP 82 Cb -0.16 -3.02 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 2cm4 s TRP 82 CO 0.12 0.22 0.04 0.00 0.02 0.00 0.00 176.95 177.35 2cm4 s ALA 83 N -1.29 1.41 -0.19 0.98 0.00 0.17 -4.92 121.76 117.93 2cm4 s ALA 83 Ca 0.44 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 2cm4 s ALA 83 Cb -0.25 0.74 0.05 0.00 0.00 0.00 0.00 23.12 23.67 2cm4 s ALA 83 CO 0.31 -0.38 0.48 0.45 0.00 0.00 0.00 175.76 176.63 2cm4 s SER 84 N -3.20 -0.55 0.09 0.00 0.15 -1.26 -1.40 113.70 107.53 2cm4 s SER 84 Ca 0.28 1.00 0.06 0.00 0.70 0.00 0.00 55.95 58.00 2cm4 s SER 84 Cb 0.07 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.31 2cm4 s SER 84 CO 0.07 -0.18 -0.16 0.42 1.20 0.00 0.00 173.24 174.59 2cm4 s THR 85 N 0.69 1.31 -0.33 6.45 -4.23 0.45 -4.96 115.64 115.02 2cm4 s THR 85 Ca -0.03 -1.44 -0.11 0.00 -1.18 0.00 0.00 61.69 58.92 2cm4 s THR 85 Cb -0.05 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 2cm4 s THR 85 CO -0.05 -0.22 0.20 -1.81 -0.54 0.00 0.00 174.62 172.20 2cm4 s ASP 86 N -1.92 5.81 0.17 3.99 1.01 -1.26 -0.16 116.67 124.31 2cm4 s ASP 86 Ca 0.02 -0.52 0.10 0.00 0.71 0.00 0.00 52.55 52.86 2cm4 s ASP 86 Cb -0.09 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 2cm4 s ASP 86 CO 0.03 -0.23 -0.18 0.26 0.21 0.00 0.00 175.17 175.26 2cm4 s TRP 87 N 1.66 2.48 -0.22 4.23 0.52 0.63 -4.72 118.94 123.51 2cm4 s TRP 87 Ca 0.05 -0.29 -0.04 0.00 0.02 0.00 0.00 56.10 55.84 2cm4 s TRP 87 Cb -0.17 -1.24 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 2cm4 s TRP 87 CO 0.08 0.47 -0.04 0.99 0.02 0.00 0.00 176.95 178.47 2cm4 s THR 88 N -1.54 3.39 -0.17 2.01 2.01 -0.25 -0.99 115.64 120.10 2cm4 s THR 88 Ca 0.21 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 2cm4 s THR 88 Cb -0.09 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2cm4 s THR 88 CO 0.12 0.42 0.31 -0.36 -0.69 0.00 0.00 174.62 174.42 2cm4 s PHE 89 N 1.45 3.45 -0.24 4.92 2.99 -0.00 -0.99 117.98 129.56 2cm4 s PHE 89 Ca 0.05 0.60 -0.06 0.00 0.00 0.00 0.00 56.93 57.53 2cm4 s PHE 89 Cb -0.14 -2.38 -0.02 0.00 0.00 0.00 0.00 43.02 40.48 2cm4 s PHE 89 CO -0.03 0.19 0.02 0.99 -0.00 0.00 0.00 175.22 176.39 2cm4 s THR 90 N 0.62 3.85 -0.12 0.64 2.01 0.12 -0.74 115.64 122.03 2cm4 s THR 90 Ca 0.17 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 2cm4 s THR 90 Cb -0.13 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2cm4 s THR 90 CO 0.05 0.37 0.05 -0.76 -0.69 0.00 0.00 174.62 173.64 2cm4 s LEU 91 N 1.55 3.85 -0.35 4.42 1.43 0.27 -1.14 118.68 128.71 2cm4 s LEU 91 Ca 0.06 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2cm4 s LEU 91 Cb -0.15 -1.92 0.14 0.00 0.03 0.00 0.00 46.19 44.29 2cm4 s LEU 91 CO 0.00 0.33 0.26 -0.62 0.23 0.00 0.00 176.35 176.55 2cm4 s ASP 92 N -0.60 2.40 1.82 2.29 3.68 -0.50 -4.86 116.67 120.90 2cm4 s ASP 92 Ca 0.11 -1.80 0.00 0.00 2.13 0.00 0.00 52.55 52.99 2cm4 s ASP 92 Cb -0.12 -0.04 0.00 0.00 -1.45 0.00 0.00 42.92 41.31 2cm4 s ASP 92 CO 0.02 -0.32 0.00 0.61 0.13 0.00 0.00 175.17 175.62 2cm4 n GLY 93 N 4.33 3.72 0.02 2.66 0.00 -1.26 -1.14 105.19 113.53 2cm4 n GLY 93 Ca 0.09 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2cm4 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cm4 n ALA 94 N 11.95 3.21 -2.01 4.61 0.00 -1.25 -0.91 120.51 136.11 2cm4 n ALA 94 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 2cm4 n ALA 94 Cb 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 2cm4 n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cm4 s LYS 95 N -2.94 4.53 -0.14 0.00 1.02 -0.29 -0.68 119.74 121.25 2cm4 s LYS 95 Ca 0.14 1.12 -0.00 0.00 0.02 0.00 0.00 55.97 57.24 2cm4 s LYS 95 Cb 0.18 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.27 2cm4 s LYS 95 CO 0.64 0.58 -0.06 0.08 -0.92 0.00 0.00 175.35 175.66 2cm4 s VAL 96 N -1.15 1.06 -0.27 3.17 1.01 -0.01 -1.41 120.40 122.81 2cm4 s VAL 96 Ca 0.35 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 2cm4 s VAL 96 Cb -0.23 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 2cm4 s VAL 96 CO 0.26 0.25 0.06 -0.89 0.00 0.00 0.00 175.10 174.77 2cm4 s THR 97 N 1.67 3.99 -0.16 3.92 2.01 -0.29 -1.05 115.64 125.72 2cm4 s THR 97 Ca 0.03 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 2cm4 s THR 97 Cb -0.14 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 2cm4 s THR 97 CO -0.08 0.20 0.01 0.00 -0.69 0.00 0.00 174.62 174.06 2cm4 s ALA 98 N 1.53 3.21 0.01 7.40 0.00 0.09 0.14 121.76 134.15 2cm4 s ALA 98 Ca 0.04 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2cm4 s ALA 98 Cb -0.16 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2cm4 s ALA 98 CO 0.02 0.22 -0.15 0.95 0.00 0.00 0.00 175.76 176.80 2cm4 s THR 99 N 0.30 1.21 -0.25 0.00 -4.23 -0.16 -0.95 115.64 111.56 2cm4 s THR 99 Ca -0.00 -0.83 -0.02 0.00 -1.18 0.00 0.00 61.69 59.66 2cm4 s THR 99 Cb -0.13 -1.04 0.12 0.00 1.34 0.00 0.00 72.50 72.78 2cm4 s THR 99 CO 0.02 0.20 0.26 -0.22 -0.54 0.00 0.00 174.62 174.34 2cm4 s LEU 100 N -0.72 -0.18 0.00 4.79 2.96 -0.71 -1.09 118.68 123.72 2cm4 s LEU 100 Ca 0.04 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 2cm4 s LEU 100 Cb -0.07 0.47 0.00 0.00 0.50 0.00 0.00 46.19 47.09 2cm4 s LEU 100 CO 0.00 -0.36 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2cm4 n GLY 101 N 5.32 3.73 0.47 7.98 0.00 -1.26 -0.69 105.19 120.74 2cm4 n GLY 101 Ca -0.04 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2cm4 n GLY 101 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cm4 n GLN 102 N 13.81 1.65 -3.04 1.61 1.13 -1.26 -4.89 117.38 126.39 2cm4 n GLN 102 Ca 0.00 -0.95 -0.39 0.00 -1.94 0.00 0.00 57.00 53.71 2cm4 n GLN 102 Cb 0.00 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 28.83 2cm4 n GLN 102 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2cm4 s LEU 103 N -1.93 4.54 -0.02 1.08 1.43 0.13 -5.08 118.68 118.83 2cm4 s LEU 103 Ca 0.37 1.51 0.01 0.00 -1.03 0.00 0.00 54.13 54.99 2cm4 s LEU 103 Cb 0.20 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 43.24 2cm4 s LEU 103 CO 0.32 0.16 -0.02 -0.89 0.23 0.00 0.00 176.35 176.15 2cm4 s THR 104 N -0.80 0.29 -0.08 5.49 2.01 -1.26 -1.74 115.64 119.55 2cm4 s THR 104 Ca 0.35 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2cm4 s THR 104 Cb -0.22 -0.32 0.02 0.00 0.01 0.00 0.00 72.50 71.99 2cm4 s THR 104 CO 0.24 0.14 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.10 2cm4 s GLN 105 N 0.63 1.60 -0.14 4.92 -0.21 -0.13 -5.00 119.66 121.33 2cm4 s GLN 105 Ca -0.07 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 54.93 2cm4 s GLN 105 Cb -0.10 -1.43 -0.03 0.00 1.00 0.00 0.00 33.01 32.45 2cm4 s GLN 105 CO -0.01 -0.07 -0.02 -0.80 -2.12 0.00 0.00 175.29 172.27 2cm4 s ASN 106 N 1.01 4.96 0.09 5.90 -0.87 -1.26 -0.73 114.94 124.04 2cm4 s ASN 106 Ca -0.08 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.17 2cm4 s ASN 106 Cb -0.15 -1.68 -0.04 0.00 -0.02 0.00 0.00 41.25 39.36 2cm4 s ASN 106 CO -0.00 0.23 -0.03 -0.13 -2.57 0.00 0.00 177.10 174.60 2cm4 s ARG 107 N 0.00 0.77 -0.05 -0.60 0.52 -0.22 -1.06 118.95 118.30 2cm4 s ARG 107 Ca 0.02 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.93 2cm4 s ARG 107 Cb -0.13 0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.39 2cm4 s ARG 107 CO 0.02 -0.10 -0.10 -2.00 0.02 0.00 0.00 175.30 173.14 2cm4 s GLU 108 N -3.91 1.36 -0.37 3.54 2.12 -0.56 -0.83 118.70 120.05 2cm4 s GLU 108 Ca 0.12 -0.32 -0.29 0.00 0.36 0.00 0.00 54.97 54.84 2cm4 s GLU 108 Cb 0.07 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.28 2cm4 s GLU 108 CO -0.06 0.02 1.37 0.08 -0.54 0.00 0.00 175.26 176.14 2cm4 s VAL 109 N 0.63 3.99 -0.12 3.70 1.01 0.14 -1.04 120.40 128.70 2cm4 s VAL 109 Ca -0.12 1.05 0.20 0.00 0.00 0.00 0.00 61.98 63.11 2cm4 s VAL 109 Cb -0.14 -4.19 -0.21 0.00 0.00 0.00 0.00 36.38 31.84 2cm4 s VAL 109 CO 0.02 -0.67 0.58 1.33 0.00 0.00 0.00 175.10 176.37 2cm4 n VAL 110 N 6.77 0.77 -3.82 2.92 0.24 0.15 -4.87 118.33 120.48 2cm4 n VAL 110 Ca 0.16 -0.65 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 2cm4 n VAL 110 Cb 0.47 -0.38 -0.13 0.00 -1.47 0.00 0.00 33.84 32.33 2cm4 n VAL 110 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2cm4 s TYR 111 N -3.09 -0.15 -0.05 6.34 6.14 -1.10 -4.98 117.35 120.47 2cm4 s TYR 111 Ca -0.06 0.37 0.01 0.00 0.64 0.00 0.00 57.07 58.03 2cm4 s TYR 111 Cb 0.10 0.03 0.02 0.00 0.42 0.00 0.00 41.96 42.53 2cm4 s TYR 111 CO 0.84 -0.08 -0.04 0.34 0.64 0.00 0.00 175.55 177.25 2cm4 s ASP 112 N 0.22 1.06 0.94 4.32 3.68 -1.26 -0.87 116.67 124.75 2cm4 s ASP 112 Ca -0.01 -0.13 -0.11 0.00 2.13 0.00 0.00 52.55 54.42 2cm4 s ASP 112 Cb -0.02 -0.46 0.15 0.00 -1.45 0.00 0.00 42.92 41.14 2cm4 s ASP 112 CO -0.01 -0.07 1.09 -0.94 0.13 0.00 0.00 175.17 175.38 2cm4 s SER 113 N 1.04 2.96 0.25 -0.34 1.04 -0.10 -0.45 113.70 118.10 2cm4 s SER 113 Ca -0.09 1.74 -0.03 0.00 0.48 0.00 0.00 55.95 58.05 2cm4 s SER 113 Cb -0.14 -2.36 0.49 0.00 0.10 0.00 0.00 66.02 64.11 2cm4 s SER 113 CO -0.01 -3.00 1.72 1.56 0.98 0.00 0.00 173.24 174.49 2cm4 h GLN 114 N -1.80 0.42 -0.57 4.02 4.20 -1.83 -2.09 115.11 117.45 2cm4 h GLN 114 Ca -0.49 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2cm4 h GLN 114 Cb 1.28 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2cm4 h GLN 114 CO 0.49 0.28 0.00 0.43 -0.67 0.00 0.00 178.83 179.36 2cm4 n SER 115 N -5.01 3.73 -2.40 1.46 7.64 -1.26 -4.66 113.62 113.12 2cm4 n SER 115 Ca 0.15 -1.99 -0.17 0.00 1.01 0.00 0.00 58.87 57.86 2cm4 n SER 115 Cb 0.44 -0.38 0.03 0.00 -1.01 0.00 0.00 64.21 63.30 2cm4 n SER 115 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2cm4 n HIS 116 N 1.57 -1.56 0.02 1.43 8.25 -0.79 -4.91 115.22 119.23 2cm4 n HIS 116 Ca 0.22 0.42 -0.13 0.00 -0.26 0.00 0.00 57.72 57.97 2cm4 n HIS 116 Cb 0.61 -3.74 -0.14 0.00 1.12 0.00 0.00 29.99 27.85 2cm4 n HIS 116 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2cm4 h HIS 117 N -1.13 0.23 -3.84 4.41 6.17 -1.87 -3.42 115.15 115.70 2cm4 h HIS 117 Ca -0.41 -0.17 -0.09 0.00 0.71 0.00 0.00 60.37 60.41 2cm4 h HIS 117 Cb 1.28 -0.01 -0.14 0.00 2.52 0.00 0.00 27.41 31.07 2cm4 h HIS 117 CO 0.40 1.25 -0.37 0.00 0.71 0.00 0.00 177.93 179.92 2cm4 s HIS 119 N -3.88 -0.08 -0.06 0.00 -3.43 -0.43 -0.93 115.29 106.47 2cm4 s HIS 119 Ca 0.07 -0.25 0.04 0.00 -0.80 0.00 0.00 55.06 54.12 2cm4 s HIS 119 Cb 0.05 0.32 -0.00 0.00 -1.43 0.00 0.00 32.58 31.51 2cm4 s HIS 119 CO -0.09 -0.85 -0.20 0.08 -2.00 0.00 0.00 174.74 171.68 2cm4 s VAL 120 N -3.87 1.67 0.12 -5.38 1.01 -0.05 -1.20 120.40 112.71 2cm4 s VAL 120 Ca 0.09 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2cm4 s VAL 120 Cb 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2cm4 s VAL 120 CO -0.04 0.47 -0.11 -1.81 0.00 0.00 0.00 175.10 173.61 2cm4 s ASP 121 N 0.17 4.30 -0.18 3.32 1.01 -0.13 -0.68 116.67 124.48 2cm4 s ASP 121 Ca -0.09 -0.44 -0.07 0.00 0.71 0.00 0.00 52.55 52.66 2cm4 s ASP 121 Cb -0.14 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.97 2cm4 s ASP 121 CO 0.04 0.17 0.05 -0.75 0.21 0.00 0.00 175.17 174.89 2cm4 s LYS 122 N -2.30 3.92 -0.42 8.23 2.20 -0.21 -1.62 119.74 129.55 2cm4 s LYS 122 Ca 0.21 -0.37 -0.18 0.00 -0.36 0.00 0.00 55.97 55.27 2cm4 s LYS 122 Cb -0.11 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2cm4 s LYS 122 CO 0.13 0.23 0.48 0.08 -0.36 0.00 0.00 175.35 175.92 2cm4 s VAL 123 N 0.47 5.03 -0.31 4.02 1.01 0.12 -1.50 120.40 129.24 2cm4 s VAL 123 Ca 0.02 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2cm4 s VAL 123 Cb -0.13 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2cm4 s VAL 123 CO 0.01 -0.45 0.98 -1.61 0.00 0.00 0.00 175.10 174.03 2cm4 s GLU 124 N 2.29 4.05 0.10 2.72 2.02 -0.23 -2.47 118.70 127.18 2cm4 s GLU 124 Ca 0.14 0.95 -0.11 0.00 0.02 0.00 0.00 54.97 55.98 2cm4 s GLU 124 Cb -0.16 -3.72 0.04 0.00 0.10 0.00 0.00 34.13 30.38 2cm4 s GLU 124 CO 0.15 -0.81 0.51 0.36 0.02 0.00 0.00 175.26 175.50 2cm4 n LYS 125 N 6.61 0.35 -0.18 1.61 2.85 -1.26 -4.50 118.16 123.64 2cm4 n LYS 125 Ca 0.09 -0.79 -0.06 0.00 -1.05 0.00 0.00 58.31 56.50 2cm4 n LYS 125 Cb 0.47 1.06 -0.01 0.00 -0.65 0.00 0.00 35.03 35.90 2cm4 n LYS 125 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2cm4 h GLU 126 N 0.00 -0.19 -4.45 -1.58 4.22 -2.04 -3.24 114.58 107.30 2cm4 h GLU 126 Ca -0.14 0.01 -0.67 0.00 0.08 0.00 0.00 59.36 58.64 2cm4 h GLU 126 Cb 0.61 0.04 -0.38 0.00 0.50 0.00 0.00 28.75 29.52 2cm4 h GLU 126 CO 0.19 -0.13 -0.64 0.08 -2.18 0.00 0.00 179.01 176.33 2cm4 s VAL 127 N -5.97 2.69 0.71 0.32 1.01 -1.26 -5.10 120.40 112.81 2cm4 s VAL 127 Ca -0.14 -2.38 -0.16 0.00 0.00 0.00 0.00 61.98 59.30 2cm4 s VAL 127 Cb 0.15 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.64 2cm4 s VAL 127 CO 0.68 -0.66 1.19 -2.65 0.00 0.00 0.00 175.10 173.67 2cm4 n PRO 128 N 4.21 0.68 -4.41 2.72 -0.02 -1.23 -5.03 135.00 131.92 2cm4 n PRO 128 Ca 0.02 0.30 -0.21 0.00 -2.02 0.00 0.00 63.50 61.59 2cm4 n PRO 128 Cb 0.41 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 2cm4 n PRO 128 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cm4 s ASP 129 N -1.67 2.84 0.05 2.55 1.01 -1.03 -4.97 116.67 115.44 2cm4 s ASP 129 Ca 0.78 -1.12 0.06 0.00 0.71 0.00 0.00 52.55 52.98 2cm4 s ASP 129 Cb -0.35 -0.18 -0.02 0.00 1.01 0.00 0.00 42.92 43.38 2cm4 s ASP 129 CO 0.46 -0.24 -0.17 -0.31 0.21 0.00 0.00 175.17 175.12 2cm4 s TYR 130 N -2.92 1.45 0.05 4.23 1.51 -1.26 0.12 117.35 120.52 2cm4 s TYR 130 Ca 0.27 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2cm4 s TYR 130 Cb 0.01 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 2cm4 s TYR 130 CO 0.11 0.07 -0.07 -1.21 -1.11 0.00 0.00 175.55 173.34 2cm4 s GLU 131 N -1.30 0.58 -0.12 -0.62 2.02 -0.64 -1.87 118.70 116.75 2cm4 s GLU 131 Ca 0.03 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.18 2cm4 s GLU 131 Cb -0.09 -0.27 0.00 0.00 0.10 0.00 0.00 34.13 33.88 2cm4 s GLU 131 CO 0.02 0.03 -0.21 1.41 0.02 0.00 0.00 175.26 176.53 2cm4 s MET 132 N -2.02 3.09 0.13 1.61 -2.45 0.10 -0.95 119.30 118.81 2cm4 s MET 132 Ca -0.06 -0.84 0.10 0.00 -1.25 0.00 0.00 55.69 53.65 2cm4 s MET 132 Cb -0.07 -2.42 -0.04 0.00 1.25 0.00 0.00 34.83 33.55 2cm4 s MET 132 CO -0.01 0.10 -0.22 -1.58 1.05 0.00 0.00 175.02 174.36 2cm4 s TRP 133 N 0.56 2.42 0.08 4.11 0.52 -0.34 -0.58 118.94 125.72 2cm4 s TRP 133 Ca -0.12 -0.32 -0.14 0.00 0.02 0.00 0.00 56.10 55.53 2cm4 s TRP 133 Cb -0.17 -1.28 0.02 0.00 -1.15 0.00 0.00 33.47 30.89 2cm4 s TRP 133 CO 0.04 0.38 0.33 0.00 0.02 0.00 0.00 176.95 177.72 2cm4 s MET 134 N -2.18 0.92 0.43 4.98 0.23 -0.58 -1.32 119.30 121.79 2cm4 s MET 134 Ca 0.17 -0.64 -0.26 0.00 -1.03 0.00 0.00 55.69 53.93 2cm4 s MET 134 Cb -0.10 0.40 -0.09 0.00 -1.53 0.00 0.00 34.83 33.51 2cm4 s MET 134 CO 0.09 -0.32 1.38 1.28 -2.03 0.00 0.00 175.02 175.41 2cm4 n LEU 135 N 0.16 4.72 0.00 0.18 4.77 -0.28 -0.75 117.00 125.81 2cm4 n LEU 135 Ca -0.17 1.13 0.10 0.00 -0.03 0.00 0.00 56.01 57.04 2cm4 n LEU 135 Cb 0.62 -1.57 0.60 0.00 -2.33 0.00 0.00 43.42 40.73 2cm4 n LEU 135 CO 0.20 -0.30 0.84 -0.67 -1.33 0.00 0.00 177.39 176.13 2cm4 n ASP 136 N -0.00 0.00 -4.93 -1.43 4.64 -1.25 -4.79 116.55 108.79 2cm4 n ASP 136 Ca 0.05 -1.08 -0.26 0.00 -1.38 0.00 0.00 54.79 52.12 2cm4 n ASP 136 Cb 0.41 0.00 0.02 0.00 -1.04 0.00 0.00 41.12 40.51 2cm4 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2cm4 s ALA 137 N -2.00 3.43 0.79 -1.67 0.00 -1.26 -5.10 121.76 115.96 2cm4 s ALA 137 Ca 0.30 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 2cm4 s ALA 137 Cb 0.14 -2.48 0.11 0.00 0.00 0.00 0.00 23.12 20.89 2cm4 s ALA 137 CO 0.23 -0.65 0.68 0.41 0.00 0.00 0.00 175.76 176.43 2cm4 n GLY 138 N -2.42 -0.32 0.00 0.00 0.00 -1.26 -5.04 105.19 96.15 2cm4 n GLY 138 Ca 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2cm4 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cm4 n GLY 139 N 0.26 0.19 4.01 -0.02 0.00 -1.26 -5.01 105.19 103.36 2cm4 n GLY 139 Ca 0.10 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 2cm4 n GLY 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cm4 n LEU 140 N -0.33 -1.76 -0.12 0.99 4.77 -1.26 -4.86 117.00 114.43 2cm4 n LEU 140 Ca 0.00 -1.11 0.01 0.00 -0.03 0.00 0.00 56.01 54.88 2cm4 n LEU 140 Cb 0.00 -2.02 0.31 0.00 -2.33 0.00 0.00 43.42 39.38 2cm4 n LEU 140 CO 0.00 0.50 1.18 -0.08 -1.33 0.00 0.00 177.39 177.66 2cm4 h GLU 141 N -1.94 0.79 -0.71 3.23 4.57 -1.99 -2.17 114.58 116.36 2cm4 h GLU 141 Ca -0.65 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 57.41 2cm4 h GLU 141 Cb 1.38 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.77 2cm4 h GLU 141 CO 0.61 0.55 0.22 0.28 -1.18 0.00 0.00 179.01 179.48 2cm4 h VAL 142 N 0.81 1.26 -0.54 0.32 2.07 -1.99 0.09 116.25 118.27 2cm4 h VAL 142 Ca 0.21 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 2cm4 h VAL 142 Cb -0.05 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2cm4 h VAL 142 CO -0.04 0.35 0.00 -0.33 0.02 0.00 0.00 177.57 177.57 2cm4 h GLU 143 N 1.04 0.91 -0.34 1.57 5.08 -1.81 -0.74 114.58 120.29 2cm4 h GLU 143 Ca 0.23 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2cm4 h GLU 143 Cb 0.31 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2cm4 h GLU 143 CO -0.01 0.90 0.14 0.28 -1.00 0.00 0.00 179.01 179.33 2cm4 h VAL 144 N 0.84 1.18 -0.91 3.13 2.07 -0.94 -1.39 116.25 120.23 2cm4 h VAL 144 Ca 0.16 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2cm4 h VAL 144 Cb 0.49 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2cm4 h VAL 144 CO 0.02 0.19 0.60 -0.08 0.02 0.00 0.00 177.57 178.33 2cm4 h GLU 145 N 0.41 1.20 -0.70 1.57 4.57 -0.79 -1.68 114.58 119.16 2cm4 h GLU 145 Ca 0.12 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2cm4 h GLU 145 Cb 0.17 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 2cm4 h GLU 145 CO -0.01 0.80 0.44 0.00 -1.18 0.00 0.00 179.01 179.05 2cm4 h ARG 148 N 0.93 0.73 -0.45 0.00 3.08 -0.86 -0.30 114.38 117.52 2cm4 h ARG 148 Ca 0.24 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.22 2cm4 h ARG 148 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2cm4 h ARG 148 CO -0.04 0.56 0.30 0.37 -1.07 0.00 0.00 179.97 180.09 2cm4 h GLN 149 N 0.70 0.59 -0.63 0.04 4.15 -0.72 -0.90 115.11 118.34 2cm4 h GLN 149 Ca 0.19 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.51 2cm4 h GLN 149 Cb 0.04 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2cm4 h GLN 149 CO -0.03 0.39 0.14 0.87 -1.93 0.00 0.00 178.83 178.27 2cm4 h LYS 150 N 0.61 0.99 -0.60 1.69 1.79 -0.70 -1.51 116.57 118.85 2cm4 h LYS 150 Ca 0.17 -0.23 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2cm4 h LYS 150 Cb -0.07 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 2cm4 h LYS 150 CO -0.04 0.89 0.22 1.25 -1.08 0.00 0.00 179.45 180.70 2cm4 h LEU 151 N 0.95 0.84 -1.04 2.94 5.85 -0.86 -1.23 115.31 122.75 2cm4 h LEU 151 Ca 0.20 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2cm4 h LEU 151 Cb 0.36 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2cm4 h LEU 151 CO 0.00 0.80 0.64 -0.08 -0.34 0.00 0.00 178.44 179.47 2cm4 h GLU 152 N 0.84 1.23 -0.04 1.25 4.57 -0.68 0.79 114.58 122.55 2cm4 h GLU 152 Ca 0.20 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2cm4 h GLU 152 Cb 0.23 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2cm4 h GLU 152 CO -0.01 0.82 -0.01 0.93 -1.18 0.00 0.00 179.01 179.56 2cm4 h GLU 153 N 1.27 0.07 -0.14 1.92 5.08 -0.74 -1.04 114.58 121.00 2cm4 h GLU 153 Ca 0.38 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2cm4 h GLU 153 Cb -0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2cm4 h GLU 153 CO -0.10 0.41 -0.32 -0.07 -1.00 0.00 0.00 179.01 177.92 2cm4 h LEU 154 N -0.27 0.28 -3.44 1.33 3.38 -1.02 -3.29 115.31 112.29 2cm4 h LEU 154 Ca 0.01 -0.10 -0.29 0.00 0.09 0.00 0.00 57.88 57.59 2cm4 h LEU 154 Cb 0.38 -0.08 -0.24 0.00 0.09 0.00 0.00 40.66 40.81 2cm4 h LEU 154 CO 0.00 0.60 -0.69 0.00 0.09 0.00 0.00 178.44 178.44 2cm4 n ALA 155 N -2.48 4.33 -1.71 1.53 0.00 0.25 -5.08 120.51 117.36 2cm4 n ALA 155 Ca -0.01 -3.53 -0.43 0.00 0.00 0.00 0.00 53.44 49.47 2cm4 n ALA 155 Cb 0.42 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 2cm4 n ALA 155 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cm4 n SER 156 N -0.87 3.26 0.00 0.00 3.41 -0.39 -1.82 113.62 117.20 2cm4 n SER 156 Ca 0.32 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 60.08 2cm4 n SER 156 Cb 0.85 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2cm4 n SER 156 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cm4 n GLY 157 N 1.88 1.99 3.81 5.00 0.00 -1.26 -5.02 105.19 111.59 2cm4 n GLY 157 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2cm4 n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cm4 s ARG 158 N -0.31 4.15 0.22 1.61 1.81 -0.76 -5.04 118.95 120.63 2cm4 s ARG 158 Ca 0.00 0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 54.39 2cm4 s ARG 158 Cb 0.00 -3.24 -0.09 0.00 -0.45 0.00 0.00 34.95 31.18 2cm4 s ARG 158 CO 0.00 0.65 1.22 -0.80 -0.68 0.00 0.00 175.30 175.69 2cm4 s ASN 159 N -1.09 7.03 -0.08 0.23 0.01 -1.26 -5.02 114.94 114.77 2cm4 s ASN 159 Ca 0.28 2.34 -0.02 0.00 -0.71 0.00 0.00 52.86 54.74 2cm4 s ASN 159 Cb -0.19 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.82 2cm4 s ASN 159 CO 0.18 -0.39 0.03 -1.10 -1.51 0.00 0.00 177.10 174.30 2cm4 s GLN 160 N -0.57 3.04 0.29 -0.60 -0.21 -1.26 -4.37 119.66 115.97 2cm4 s GLN 160 Ca 0.52 -0.39 0.10 0.00 0.02 0.00 0.00 55.36 55.61 2cm4 s GLN 160 Cb -0.34 -2.84 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 2cm4 s GLN 160 CO 0.40 0.70 -0.05 -1.64 -2.12 0.00 0.00 175.29 172.58 2cm4 s MET 161 N -1.01 2.07 -0.59 2.91 -1.94 0.87 -4.94 119.30 116.67 2cm4 s MET 161 Ca 0.15 -1.60 0.04 0.00 -1.71 0.00 0.00 55.69 52.56 2cm4 s MET 161 Cb -0.11 -1.99 0.15 0.00 2.01 0.00 0.00 34.83 34.88 2cm4 s MET 161 CO 0.04 0.29 0.36 0.71 -0.01 0.00 0.00 175.02 176.41 2cm4 s TYR 162 N -2.43 3.14 0.48 -0.03 2.02 -1.26 -1.46 117.35 117.81 2cm4 s TYR 162 Ca 0.32 -3.13 0.33 0.00 -0.37 0.00 0.00 57.07 54.22 2cm4 s TYR 162 Cb -0.04 -2.60 1.80 0.00 -0.40 0.00 0.00 41.96 40.72 2cm4 s TYR 162 CO 0.18 -0.67 2.19 -1.35 -1.57 0.00 0.00 175.55 174.33 2cm4 h PRO 163 N 6.01 0.00 -0.00 -1.71 0.11 -1.74 -1.15 132.00 133.52 2cm4 h PRO 163 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2cm4 h PRO 163 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2cm4 h PRO 163 CO 0.67 0.05 -0.28 1.58 -0.21 0.00 0.00 178.00 179.81 2cm4 n HIS 164 N -3.46 0.00 -2.28 0.65 -0.00 -1.14 0.15 115.22 109.13 2cm4 n HIS 164 Ca -0.02 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.76 2cm4 n HIS 164 Cb 0.17 -0.32 0.03 0.00 -0.12 0.00 0.00 29.99 29.75 2cm4 n HIS 164 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2cm4 n LEU 165 N -1.40 7.41 -2.22 0.27 4.77 -0.43 -4.39 117.00 121.01 2cm4 n LEU 165 Ca 0.07 -5.12 -0.12 0.00 -0.03 0.00 0.00 56.01 50.82 2cm4 n LEU 165 Cb 0.33 -1.11 0.04 0.00 -2.33 0.00 0.00 43.42 40.35 2cm4 n LEU 165 CO 0.31 1.91 0.11 0.29 -1.33 0.00 0.00 177.39 178.68 2cm4 n LYS 166 N -0.30 2.63 -3.45 3.23 4.76 -1.25 -4.97 118.16 118.80 2cm4 n LYS 166 Ca 0.50 -3.77 -0.21 0.00 -2.87 0.00 0.00 58.31 51.96 2cm4 n LYS 166 Cb 0.25 -1.89 0.06 0.00 -1.84 0.00 0.00 35.03 31.61 2cm4 n LYS 166 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2cm4 n ASP 167 N -0.64 -5.01 -0.59 4.39 2.03 -1.26 -4.87 116.55 110.60 2cm4 n ASP 167 Ca 0.27 -0.80 0.14 0.00 0.52 0.00 0.00 54.79 54.91 2cm4 n ASP 167 Cb 0.90 -4.55 0.43 0.00 -0.72 0.00 0.00 41.12 37.18 2cm4 n ASP 167 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28