#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q2m s ILE 2 N 0.00 1.51 0.32 -0.08 -0.00 -1.26 -5.04 121.20 116.64 2q2m s ILE 2 Ca 0.00 -2.04 0.19 0.00 -0.00 0.00 0.00 60.65 58.80 2q2m s ILE 2 Cb 0.00 -2.73 0.16 0.00 -0.00 0.00 0.00 42.46 39.89 2q2m s ILE 2 CO 0.00 -0.09 1.87 -0.37 -0.00 0.00 0.00 174.94 176.34 2q2m h VAL 3 N 2.09 0.95 0.00 8.37 -1.51 -2.02 -2.12 116.25 122.02 2q2m h VAL 3 Ca -0.41 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 63.92 2q2m h VAL 3 Cb 1.24 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 2q2m h VAL 3 CO 0.71 0.30 0.00 0.35 -1.23 0.00 0.00 177.57 177.70 2q2m n THR 4 N -3.79 0.27 0.80 7.19 -2.24 -1.26 -2.73 114.28 112.51 2q2m n THR 4 Ca -0.01 0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 2q2m n THR 4 Cb 0.39 -0.66 0.04 0.00 -2.10 0.00 0.00 70.33 68.01 2q2m n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q2m n GLN 5 N -1.37 1.61 -3.59 -0.78 6.02 -0.80 -4.95 117.38 113.52 2q2m n GLN 5 Ca 0.09 -1.31 -0.20 0.00 -0.01 0.00 0.00 57.00 55.58 2q2m n GLN 5 Cb 0.23 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 2q2m n GLN 5 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2q2m s THR 6 N -1.79 3.71 0.36 5.09 -4.23 -1.10 -4.66 115.64 113.02 2q2m s THR 6 Ca 0.19 -1.17 -0.25 0.00 -1.18 0.00 0.00 61.69 59.28 2q2m s THR 6 Cb 0.15 -3.27 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 2q2m s THR 6 CO 0.33 -0.15 1.03 -0.32 -0.54 0.00 0.00 174.62 174.97 2q2m s MET 7 N -4.11 4.34 -0.11 3.99 1.75 -0.68 -4.96 119.30 119.52 2q2m s MET 7 Ca 0.44 1.51 -0.04 0.00 -1.25 0.00 0.00 55.69 56.34 2q2m s MET 7 Cb -0.08 -2.70 -0.04 0.00 2.84 0.00 0.00 34.83 34.86 2q2m s MET 7 CO 0.29 0.02 0.06 0.21 -0.65 0.00 0.00 175.02 174.95 2q2m s LYS 8 N -2.23 3.27 -0.75 4.11 2.20 -1.26 -4.47 119.74 120.61 2q2m s LYS 8 Ca 0.54 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 2q2m s LYS 8 Cb -0.23 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 2q2m s LYS 8 CO 0.28 0.69 0.00 0.41 -0.36 0.00 0.00 175.35 176.37 2q2m n GLY 9 N 2.23 0.68 3.74 5.54 0.00 -1.26 -4.99 105.19 111.12 2q2m n GLY 9 Ca -0.19 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2q2m n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q2m s LEU 10 N -1.85 4.38 -0.54 0.99 2.96 -1.26 -4.98 118.68 118.39 2q2m s LEU 10 Ca 0.00 2.61 -0.04 0.00 -0.22 0.00 0.00 54.13 56.48 2q2m s LEU 10 Cb 0.00 -3.61 0.14 0.00 0.50 0.00 0.00 46.19 43.22 2q2m s LEU 10 CO 0.00 -0.71 0.37 -0.62 -1.32 0.00 0.00 176.35 174.07 2q2m s ASP 11 N 0.57 5.37 0.45 3.68 2.15 -1.26 -4.91 116.67 122.72 2q2m s ASP 11 Ca 0.62 -2.47 0.27 0.00 0.43 0.00 0.00 52.55 51.40 2q2m s ASP 11 Cb -0.41 -1.88 1.31 0.00 -0.30 0.00 0.00 42.92 41.64 2q2m s ASP 11 CO 0.39 -0.47 1.75 -0.29 -0.17 0.00 0.00 175.17 176.38 2q2m h ILE 12 N 5.71 0.40 0.00 4.11 6.09 -1.96 -1.01 117.51 130.85 2q2m h ILE 12 Ca -0.07 -0.07 -0.02 0.00 -1.37 0.00 0.00 64.86 63.32 2q2m h ILE 12 Cb 1.00 0.17 -0.00 0.00 0.47 0.00 0.00 36.82 38.46 2q2m h ILE 12 CO 0.73 0.04 -0.10 1.56 -3.07 0.00 0.00 178.15 177.30 2q2m h GLN 13 N 0.21 0.00 0.00 2.19 1.08 -1.95 -2.67 115.11 113.97 2q2m h GLN 13 Ca 0.64 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.84 2q2m h GLN 13 Cb 1.99 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 2q2m h GLN 13 CO -0.23 0.10 -0.00 1.63 -0.95 0.00 0.00 178.83 179.38 2q2m n LYS 14 N -4.01 0.00 0.00 1.46 5.02 -0.38 -3.25 118.16 117.01 2q2m n LYS 14 Ca -0.02 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.40 2q2m n LYS 14 Cb 0.19 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.19 2q2m n LYS 14 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2q2m n VAL 15 N -1.50 0.00 -1.62 -0.18 0.24 -1.01 -4.87 118.33 109.39 2q2m n VAL 15 Ca 0.07 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.34 61.83 2q2m n VAL 15 Cb 0.34 0.32 0.05 0.00 -1.47 0.00 0.00 33.84 33.08 2q2m n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2q2m n ALA 16 N -0.40 0.25 0.00 2.33 0.00 -1.20 -4.66 120.51 116.84 2q2m n ALA 16 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2q2m n ALA 16 Cb 0.33 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2q2m n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q2m n GLY 17 N 1.25 -0.28 3.83 0.00 0.00 -0.50 -4.94 105.19 104.55 2q2m n GLY 17 Ca 0.13 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.56 2q2m n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q2m s THR 18 N -0.33 4.53 0.07 2.61 -4.23 -1.26 -1.68 115.64 115.35 2q2m s THR 18 Ca 0.00 1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 61.68 2q2m s THR 18 Cb 0.00 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 2q2m s THR 18 CO 0.00 -0.23 0.12 0.26 -0.54 0.00 0.00 174.62 174.23 2q2m s TRP 19 N -2.05 0.27 -0.04 3.99 0.52 -1.08 -4.68 118.94 115.86 2q2m s TRP 19 Ca 0.57 -0.74 0.04 0.00 0.02 0.00 0.00 56.10 56.00 2q2m s TRP 19 Cb -0.10 -0.17 -0.00 0.00 -1.15 0.00 0.00 33.47 32.05 2q2m s TRP 19 CO 0.16 -0.48 -0.18 0.71 0.02 0.00 0.00 176.95 177.18 2q2m s TYR 20 N -3.83 1.77 -0.43 -1.98 2.02 0.08 -4.21 117.35 110.77 2q2m s TYR 20 Ca 0.05 -0.51 -0.28 0.00 -0.37 0.00 0.00 57.07 55.97 2q2m s TYR 20 Cb 0.06 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 2q2m s TYR 20 CO -0.10 -0.17 1.05 -1.12 -1.57 0.00 0.00 175.55 173.64 2q2m s SER 21 N 0.02 6.66 -0.09 2.29 0.01 -1.26 -1.32 113.70 120.02 2q2m s SER 21 Ca -0.04 0.52 0.06 0.00 1.31 0.00 0.00 55.95 57.80 2q2m s SER 21 Cb -0.12 -2.52 -0.24 0.00 0.21 0.00 0.00 66.02 63.36 2q2m s SER 21 CO 0.02 -1.09 0.47 -0.11 0.41 0.00 0.00 173.24 172.94 2q2m n LEU 22 N 7.38 1.51 -3.59 2.44 7.94 0.29 -4.83 117.00 128.13 2q2m n LEU 22 Ca 0.10 0.28 -0.15 0.00 -1.11 0.00 0.00 56.01 55.14 2q2m n LEU 22 Cb 0.48 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 44.08 2q2m n LEU 22 CO 0.66 0.58 0.28 0.00 -1.11 0.00 0.00 177.39 177.80 2q2m s ALA 23 N -2.57 -1.35 0.09 1.96 0.00 -1.18 -1.34 121.76 117.38 2q2m s ALA 23 Ca -0.13 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2q2m s ALA 23 Cb 0.07 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2q2m s ALA 23 CO 0.80 -0.44 -0.05 -1.64 0.00 0.00 0.00 175.76 174.43 2q2m s MET 24 N -2.01 0.81 0.01 0.00 -1.94 -0.33 -0.77 119.30 115.07 2q2m s MET 24 Ca -0.08 -1.33 -0.25 0.00 -1.71 0.00 0.00 55.69 52.33 2q2m s MET 24 Cb -0.01 -0.10 0.06 0.00 2.01 0.00 0.00 34.83 36.79 2q2m s MET 24 CO 0.02 -0.06 0.56 0.00 -0.01 0.00 0.00 175.02 175.53 2q2m s ALA 25 N -3.71 -1.44 0.05 3.03 0.00 -0.67 -0.11 121.76 118.90 2q2m s ALA 25 Ca 0.12 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 2q2m s ALA 25 Cb 0.06 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.42 2q2m s ALA 25 CO -0.05 -0.44 0.19 0.00 0.00 0.00 0.00 175.76 175.45 2q2m s ALA 26 N -1.93 -0.31 -0.90 0.00 0.00 -0.83 -0.65 121.76 117.13 2q2m s ALA 26 Ca -0.08 -0.36 0.25 0.00 0.00 0.00 0.00 51.96 51.77 2q2m s ALA 26 Cb -0.01 0.31 1.01 0.00 0.00 0.00 0.00 23.12 24.43 2q2m s ALA 26 CO 0.03 -0.38 1.79 -1.13 0.00 0.00 0.00 175.76 176.06 2q2m n SER 27 N 0.56 0.23 -3.70 0.00 3.41 0.08 -0.58 113.62 113.61 2q2m n SER 27 Ca -0.18 0.53 -0.17 0.00 -0.26 0.00 0.00 58.87 58.79 2q2m n SER 27 Cb 0.59 -0.59 -0.16 0.00 -0.26 0.00 0.00 64.21 63.80 2q2m n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2q2m s ASP 28 N -3.43 0.55 0.28 4.04 2.15 -1.26 -4.12 116.67 114.87 2q2m s ASP 28 Ca 0.11 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.32 2q2m s ASP 28 Cb 0.15 0.12 0.64 0.00 -0.30 0.00 0.00 42.92 43.53 2q2m s ASP 28 CO 0.48 -0.21 1.66 0.40 -0.17 0.00 0.00 175.17 177.33 2q2m h ILE 29 N 6.31 0.38 -0.04 4.11 5.03 -1.86 -0.87 117.51 130.58 2q2m h ILE 29 Ca -0.24 -0.08 0.01 0.00 -0.12 0.00 0.00 64.86 64.43 2q2m h ILE 29 Cb 1.12 0.12 -0.00 0.00 -3.03 0.00 0.00 36.82 35.03 2q2m h ILE 29 CO 0.25 0.04 0.04 0.77 -0.68 0.00 0.00 178.15 178.58 2q2m h SER 30 N 0.25 0.00 0.17 1.72 4.64 -1.99 -2.12 113.55 116.22 2q2m h SER 30 Ca 0.51 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.83 2q2m h SER 30 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2q2m h SER 30 CO -0.60 0.00 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.26 2q2m h LEU 31 N 0.00 0.00 -2.29 5.97 3.38 -1.58 -3.14 115.31 117.65 2q2m h LEU 31 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2q2m h LEU 31 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2q2m h LEU 31 CO -0.00 0.03 -0.43 0.18 0.09 0.00 0.00 178.44 178.30 2q2m n LEU 32 N -3.43 0.60 0.00 1.67 4.77 -0.85 -3.74 117.00 116.02 2q2m n LEU 32 Ca -0.02 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 2q2m n LEU 32 Cb 0.13 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2q2m n LEU 32 CO 0.25 0.38 0.16 -0.67 -1.33 0.00 0.00 177.39 176.18 2q2m n ASP 33 N -0.28 0.00 -4.46 -1.43 -0.08 -0.89 -4.78 116.55 104.62 2q2m n ASP 33 Ca 0.04 0.32 -0.33 0.00 -1.51 0.00 0.00 54.79 53.31 2q2m n ASP 33 Cb 0.72 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 44.05 2q2m n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2q2m s ALA 34 N -2.23 2.77 0.00 -1.67 0.00 -1.26 -4.96 121.76 114.40 2q2m s ALA 34 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2q2m s ALA 34 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2q2m s ALA 34 CO 0.00 0.39 0.00 1.04 0.00 0.00 0.00 175.76 177.19 2q2m n GLN 35 N 2.94 0.00 0.00 0.00 6.02 -1.26 0.11 117.38 125.20 2q2m n GLN 35 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2q2m n GLN 35 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 2q2m n GLN 35 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2q2m n SER 36 N -0.86 0.00 -4.66 1.08 3.41 -1.26 -4.64 113.62 106.69 2q2m n SER 36 Ca 0.00 0.27 -0.46 0.00 -0.26 0.00 0.00 58.87 58.41 2q2m n SER 36 Cb 0.00 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 2q2m n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q2m n ALA 37 N -1.26 0.90 0.22 7.33 0.00 0.31 -4.88 120.51 123.13 2q2m n ALA 37 Ca 0.00 0.45 0.06 0.00 0.00 0.00 0.00 53.44 53.95 2q2m n ALA 37 Cb 0.01 -2.28 0.50 0.00 0.00 0.00 0.00 19.45 17.68 2q2m n ALA 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2q2m h PRO 38 N 5.11 0.00 -0.29 0.00 0.13 -1.86 -2.77 132.00 132.31 2q2m h PRO 38 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2q2m h PRO 38 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2q2m h PRO 38 CO 0.83 0.24 0.00 1.28 -0.23 0.00 0.00 178.00 180.11 2q2m n LEU 39 N -4.06 3.19 -4.47 1.56 4.77 -1.25 -4.74 117.00 112.01 2q2m n LEU 39 Ca -0.02 -1.42 -0.44 0.00 -0.03 0.00 0.00 56.01 54.10 2q2m n LEU 39 Cb 0.31 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2q2m n LEU 39 CO 0.36 0.67 1.38 -0.60 -1.33 0.00 0.00 177.39 177.86 2q2m s ARG 40 N -1.45 4.04 0.15 3.23 3.52 -1.05 -4.96 118.95 122.44 2q2m s ARG 40 Ca 0.33 -2.49 0.09 0.00 -0.13 0.00 0.00 55.73 53.53 2q2m s ARG 40 Cb 0.20 -5.07 -0.04 0.00 -1.56 0.00 0.00 34.95 28.48 2q2m s ARG 40 CO 0.28 -1.78 -0.21 0.14 -0.81 0.00 0.00 175.30 172.92 2q2m s VAL 41 N 1.76 1.92 -0.22 7.11 -7.23 -1.26 -4.75 120.40 117.74 2q2m s VAL 41 Ca 0.42 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2q2m s VAL 41 Cb -0.03 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 2q2m s VAL 41 CO -0.01 -0.18 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.27 2q2m s TYR 42 N -1.67 2.98 0.04 2.82 2.02 -0.60 -4.96 117.35 117.98 2q2m s TYR 42 Ca 0.14 -0.80 -0.30 0.00 -0.37 0.00 0.00 57.07 55.74 2q2m s TYR 42 Cb -0.08 -2.11 -0.05 0.00 -0.40 0.00 0.00 41.96 39.32 2q2m s TYR 42 CO 0.07 -0.47 1.19 0.08 -1.57 0.00 0.00 175.55 174.84 2q2m s VAL 43 N 1.39 4.11 -0.11 0.71 1.01 -1.26 -0.73 120.40 125.53 2q2m s VAL 43 Ca 0.05 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.59 2q2m s VAL 43 Cb -0.14 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 2q2m s VAL 43 CO -0.01 0.10 -0.03 1.21 0.00 0.00 0.00 175.10 176.37 2q2m n GLU 44 N 4.09 1.55 -3.58 2.72 2.13 -0.23 -4.00 120.64 123.31 2q2m n GLU 44 Ca 0.09 0.03 -0.16 0.00 0.66 0.00 0.00 57.16 57.78 2q2m n GLU 44 Cb 0.47 -1.25 -0.07 0.00 0.27 0.00 0.00 31.44 30.86 2q2m n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2q2m s GLU 45 N -2.24 0.94 -0.14 5.31 2.12 -1.06 -2.65 118.70 120.97 2q2m s GLU 45 Ca -0.10 0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.85 2q2m s GLU 45 Cb 0.04 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.88 2q2m s GLU 45 CO 0.36 -0.22 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.17 2q2m s LEU 46 N -0.44 2.34 -0.43 2.70 1.43 -0.68 -0.50 118.68 123.11 2q2m s LEU 46 Ca -0.06 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2q2m s LEU 46 Cb -0.02 -1.51 0.12 0.00 0.03 0.00 0.00 46.19 44.80 2q2m s LEU 46 CO 0.06 0.10 0.18 -0.54 0.23 0.00 0.00 176.35 176.38 2q2m s LYS 47 N 0.72 1.55 0.61 1.70 -0.14 0.11 -1.42 119.74 122.88 2q2m s LYS 47 Ca -0.08 -2.11 -0.18 0.00 -1.36 0.00 0.00 55.97 52.24 2q2m s LYS 47 Cb -0.16 -2.92 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 2q2m s LYS 47 CO 0.01 -1.06 1.17 -2.14 -0.76 0.00 0.00 175.35 172.56 2q2m s PRO 48 N 0.38 2.91 0.22 -1.68 0.02 -1.26 -1.15 135.00 134.44 2q2m s PRO 48 Ca 0.15 1.67 0.06 0.00 0.02 0.00 0.00 61.00 62.89 2q2m s PRO 48 Cb -0.23 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 2q2m s PRO 48 CO -0.05 -1.22 0.23 0.95 -0.33 0.00 0.00 177.00 176.59 2q2m s THR 49 N -1.85 4.77 0.57 0.99 -4.23 -0.26 -4.87 115.64 110.76 2q2m s THR 49 Ca 0.74 -1.14 0.40 0.00 -1.18 0.00 0.00 61.69 60.51 2q2m s THR 49 Cb -0.26 -3.54 0.40 0.00 1.34 0.00 0.00 72.50 70.44 2q2m s THR 49 CO 0.35 -0.26 2.22 -0.65 -0.54 0.00 0.00 174.62 175.74 2q2m h PRO 50 N 1.70 0.00 -0.00 3.99 0.11 -1.95 0.16 132.00 136.00 2q2m h PRO 50 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2q2m h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2q2m h PRO 50 CO 0.62 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.78 2q2m n GLU 51 N -2.95 0.14 -0.39 1.05 -0.58 -1.26 -4.90 120.64 111.75 2q2m n GLU 51 Ca -0.03 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2q2m n GLU 51 Cb 0.12 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2q2m n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2q2m n GLY 52 N 1.43 0.78 3.96 0.62 0.00 0.54 -4.98 105.19 107.54 2q2m n GLY 52 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2q2m n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q2m s ASP 53 N -2.23 4.58 -0.16 1.61 1.01 -1.26 -4.41 116.67 115.82 2q2m s ASP 53 Ca 0.00 0.09 -0.00 0.00 0.71 0.00 0.00 52.55 53.35 2q2m s ASP 53 Cb 0.00 -0.64 0.04 0.00 1.01 0.00 0.00 42.92 43.33 2q2m s ASP 53 CO 0.00 -1.71 -0.08 -0.22 0.21 0.00 0.00 175.17 173.37 2q2m s LEU 54 N -5.18 1.71 -0.13 1.23 2.96 0.89 -1.11 118.68 119.04 2q2m s LEU 54 Ca 0.63 -0.63 -0.17 0.00 -0.22 0.00 0.00 54.13 53.73 2q2m s LEU 54 Cb -0.08 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 2q2m s LEU 54 CO 0.44 -0.15 0.44 -0.70 -1.32 0.00 0.00 176.35 175.06 2q2m s GLU 55 N 1.57 4.31 -0.16 1.98 2.12 -0.30 0.63 118.70 128.86 2q2m s GLU 55 Ca 0.02 0.37 0.01 0.00 0.36 0.00 0.00 54.97 55.73 2q2m s GLU 55 Cb -0.15 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.82 2q2m s GLU 55 CO -0.08 0.15 -0.20 0.42 -0.54 0.00 0.00 175.26 175.01 2q2m s ILE 56 N 0.66 1.98 -0.21 -3.70 1.01 0.10 0.06 121.20 121.09 2q2m s ILE 56 Ca 0.24 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 2q2m s ILE 56 Cb -0.15 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2q2m s ILE 56 CO 0.09 0.53 0.29 -0.76 0.00 0.00 0.00 174.94 175.09 2q2m s LEU 57 N 1.13 4.15 0.09 2.97 1.02 0.35 -1.73 118.68 126.65 2q2m s LEU 57 Ca 0.00 0.35 0.05 0.00 0.02 0.00 0.00 54.13 54.56 2q2m s LEU 57 Cb -0.14 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.70 2q2m s LEU 57 CO -0.08 -0.01 -0.14 -0.76 0.02 0.00 0.00 176.35 175.38 2q2m s LEU 58 N 1.15 2.33 -0.07 1.79 1.43 -0.25 -1.07 118.68 123.98 2q2m s LEU 58 Ca 0.14 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 2q2m s LEU 58 Cb -0.14 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 2q2m s LEU 58 CO 0.06 -0.12 -0.18 0.00 0.23 0.00 0.00 176.35 176.34 2q2m s GLN 59 N -2.13 2.72 0.03 1.70 -2.07 0.09 -0.37 119.66 119.64 2q2m s GLN 59 Ca 0.02 -0.77 0.01 0.00 -1.82 0.00 0.00 55.36 52.80 2q2m s GLN 59 Cb -0.08 -2.36 -0.02 0.00 -1.09 0.00 0.00 33.01 29.46 2q2m s GLN 59 CO 0.02 0.45 -0.05 0.21 -1.32 0.00 0.00 175.29 174.60 2q2m s LYS 60 N -0.29 0.39 0.09 9.60 2.20 0.16 -1.55 119.74 130.34 2q2m s LYS 60 Ca 0.01 -0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 2q2m s LYS 60 Cb -0.13 -0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.11 2q2m s LYS 60 CO 0.03 -0.02 1.21 -0.46 -0.36 0.00 0.00 175.35 175.75 2q2m s TRP 61 N -1.50 3.42 -0.25 4.03 -0.11 -1.26 0.10 118.94 123.37 2q2m s TRP 61 Ca -0.13 1.29 -0.02 0.00 1.22 0.00 0.00 56.10 58.45 2q2m s TRP 61 Cb -0.09 -3.44 0.14 0.00 -1.50 0.00 0.00 33.47 28.57 2q2m s TRP 61 CO -0.01 -1.36 0.39 -2.00 -4.62 0.00 0.00 176.95 169.35 2q2m s GLU 62 N 0.84 0.36 -0.83 5.86 2.12 0.18 -4.78 118.70 122.45 2q2m s GLU 62 Ca 0.58 0.53 -0.03 0.00 0.36 0.00 0.00 54.97 56.41 2q2m s GLU 62 Cb -0.31 -0.42 -0.01 0.00 0.26 0.00 0.00 34.13 33.66 2q2m s GLU 62 CO 0.30 -0.67 0.70 0.09 -0.54 0.00 0.00 175.26 175.14 2q2m n ASN 63 N 5.37 -6.61 0.00 -1.70 3.02 -1.26 -1.57 115.26 112.51 2q2m n ASN 63 Ca -0.03 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 2q2m n ASN 63 Cb 0.50 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.62 2q2m n ASN 63 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2q2m n ASP 64 N -2.21 -0.84 -4.67 6.41 3.85 -1.26 -4.90 116.55 112.92 2q2m n ASP 64 Ca -0.11 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.70 2q2m n ASP 64 Cb 0.57 -2.58 -0.09 0.00 -1.35 0.00 0.00 41.12 37.66 2q2m n ASP 64 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2q2m s GLU 65 N -1.12 2.07 -0.60 0.11 0.41 -0.61 -5.09 118.70 113.87 2q2m s GLU 65 Ca 0.00 -2.03 -0.08 0.00 -0.41 0.00 0.00 54.97 52.45 2q2m s GLU 65 Cb 0.00 -1.76 0.16 0.00 -1.78 0.00 0.00 34.13 30.75 2q2m s GLU 65 CO 0.00 -0.09 0.47 0.00 -0.49 0.00 0.00 175.26 175.15 2q2m s ALA 67 N 0.59 3.43 -0.12 0.00 0.00 0.28 -4.80 121.76 121.13 2q2m s ALA 67 Ca 0.12 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 2q2m s ALA 67 Cb -0.20 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2q2m s ALA 67 CO -0.04 0.25 0.25 -0.65 0.00 0.00 0.00 175.76 175.57 2q2m s GLN 68 N -0.97 3.93 -0.02 0.00 -1.52 -1.26 0.38 119.66 120.20 2q2m s GLN 68 Ca 0.37 0.05 0.02 0.00 -1.95 0.00 0.00 55.36 53.84 2q2m s GLN 68 Cb -0.23 -3.31 0.01 0.00 -0.22 0.00 0.00 33.01 29.26 2q2m s GLN 68 CO 0.26 0.51 -0.05 0.15 -0.25 0.00 0.00 175.29 175.91 2q2m s LYS 69 N -0.32 0.56 -0.18 2.91 1.02 0.51 -4.99 119.74 119.25 2q2m s LYS 69 Ca 0.16 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.98 2q2m s LYS 69 Cb -0.13 -0.57 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 2q2m s LYS 69 CO 0.05 0.05 -0.09 0.21 -0.92 0.00 0.00 175.35 174.65 2q2m s LYS 70 N 0.25 3.35 0.17 1.68 2.20 -1.26 -1.09 119.74 125.04 2q2m s LYS 70 Ca -0.03 -0.66 0.11 0.00 -0.36 0.00 0.00 55.97 55.03 2q2m s LYS 70 Cb -0.07 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 2q2m s LYS 70 CO -0.00 -0.04 -0.24 0.96 -0.36 0.00 0.00 175.35 175.67 2q2m s ILE 71 N 1.02 2.27 -0.19 5.43 -4.36 -0.71 -4.97 121.20 119.68 2q2m s ILE 71 Ca -0.00 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.44 2q2m s ILE 71 Cb -0.15 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.52 2q2m s ILE 71 CO -0.01 -0.08 -0.13 -0.63 0.24 0.00 0.00 174.94 174.33 2q2m s ILE 72 N -1.53 2.66 -0.34 8.37 1.01 -1.26 -0.72 121.20 129.38 2q2m s ILE 72 Ca 0.18 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2q2m s ILE 72 Cb -0.08 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2q2m s ILE 72 CO 0.08 0.49 0.24 0.00 0.00 0.00 0.00 174.94 175.76 2q2m s ALA 73 N 1.32 3.50 0.17 9.38 0.00 0.21 -4.52 121.76 131.81 2q2m s ALA 73 Ca 0.04 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 2q2m s ALA 73 Cb -0.14 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 2q2m s ALA 73 CO -0.08 -1.00 0.75 -1.21 0.00 0.00 0.00 175.76 174.23 2q2m s GLU 74 N 1.72 4.49 0.78 0.00 2.02 0.11 -0.08 118.70 127.74 2q2m s GLU 74 Ca 0.06 1.08 -0.14 0.00 0.02 0.00 0.00 54.97 56.00 2q2m s GLU 74 Cb -0.17 -3.19 0.07 0.00 0.10 0.00 0.00 34.13 30.93 2q2m s GLU 74 CO 0.10 0.55 1.20 -1.59 0.02 0.00 0.00 175.26 175.53 2q2m s LYS 75 N -1.29 1.86 0.42 1.61 -2.85 -1.26 -0.05 119.74 118.18 2q2m s LYS 75 Ca 0.37 1.71 0.04 0.00 -1.00 0.00 0.00 55.97 57.08 2q2m s LYS 75 Cb -0.22 -1.81 -0.01 0.00 -2.06 0.00 0.00 37.83 33.73 2q2m s LYS 75 CO 0.25 -2.04 0.13 0.25 0.10 0.00 0.00 175.35 174.04 2q2m n THR 76 N -3.10 0.00 0.28 3.79 -2.24 -1.20 -4.72 114.28 107.08 2q2m n THR 76 Ca 0.13 -2.38 0.17 0.00 -2.27 0.00 0.00 64.05 59.69 2q2m n THR 76 Cb 0.51 0.81 0.82 0.00 -2.10 0.00 0.00 70.33 70.36 2q2m n THR 76 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2q2m h LYS 77 N 0.00 0.00 -5.21 -0.78 1.79 -1.96 -3.40 116.57 107.00 2q2m h LYS 77 Ca -0.33 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.52 2q2m h LYS 77 Cb 1.22 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.73 2q2m h LYS 77 CO 0.53 0.06 -0.23 0.42 -1.08 0.00 0.00 179.45 179.15 2q2m s ILE 78 N -3.97 5.18 0.56 1.86 1.01 -1.26 -5.06 121.20 119.52 2q2m s ILE 78 Ca -0.02 0.60 -0.20 0.00 0.00 0.00 0.00 60.65 61.04 2q2m s ILE 78 Cb 0.11 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 2q2m s ILE 78 CO 0.53 0.18 1.18 -2.16 0.00 0.00 0.00 174.94 174.67 2q2m s PRO 79 N 1.92 3.19 0.00 2.79 0.04 -1.26 -2.49 135.00 139.19 2q2m s PRO 79 Ca 0.16 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2q2m s PRO 79 Cb -0.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2q2m s PRO 79 CO 0.09 -1.01 0.00 0.00 0.04 0.00 0.00 177.00 176.12 2q2m n ALA 80 N -1.35 0.00 -3.69 8.56 0.00 -1.26 -4.88 120.51 117.88 2q2m n ALA 80 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 2q2m n ALA 80 Cb 0.50 -0.10 -0.16 0.00 0.00 0.00 0.00 19.45 19.68 2q2m n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2q2m s VAL 81 N -3.29 2.10 0.10 0.00 1.01 -1.04 -0.89 120.40 118.40 2q2m s VAL 81 Ca 0.00 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.10 2q2m s VAL 81 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2q2m s VAL 81 CO 0.00 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.06 2q2m s PHE 82 N 0.86 1.90 -0.11 5.22 0.40 0.57 -3.28 117.98 123.55 2q2m s PHE 82 Ca -0.06 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 2q2m s PHE 82 Cb -0.15 -1.05 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 2q2m s PHE 82 CO -0.03 0.22 -0.13 0.21 0.70 0.00 0.00 175.22 176.19 2q2m s LYS 83 N -1.88 3.15 -0.68 0.44 2.20 0.93 0.04 119.74 123.95 2q2m s LYS 83 Ca 0.08 -0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 54.84 2q2m s LYS 83 Cb -0.10 -2.56 0.16 0.00 -1.51 0.00 0.00 37.83 33.82 2q2m s LYS 83 CO 0.04 0.32 0.67 0.42 -0.36 0.00 0.00 175.35 176.45 2q2m s ILE 84 N 0.06 5.25 -1.43 5.43 1.01 0.14 0.08 121.20 131.74 2q2m s ILE 84 Ca -0.05 -1.76 -0.12 0.00 0.00 0.00 0.00 60.65 58.72 2q2m s ILE 84 Cb -0.15 -4.44 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 2q2m s ILE 84 CO 0.04 -1.02 2.55 -0.67 0.00 0.00 0.00 174.94 175.85 2q2m n ASP 85 N 5.07 6.23 -2.81 3.58 2.03 -1.26 -3.12 116.55 126.28 2q2m n ASP 85 Ca -0.01 -2.64 -0.06 0.00 0.52 0.00 0.00 54.79 52.60 2q2m n ASP 85 Cb 0.44 -1.51 0.02 0.00 -0.72 0.00 0.00 41.12 39.35 2q2m n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2q2m n ALA 86 N 4.79 0.28 -0.33 -1.67 0.00 -1.26 -4.99 120.51 117.33 2q2m n ALA 86 Ca 0.64 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2q2m n ALA 86 Cb 0.29 0.14 0.12 0.00 0.00 0.00 0.00 19.45 20.00 2q2m n ALA 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2q2m h LEU 87 N 0.00 1.10 -8.06 0.00 3.38 -2.05 -3.32 115.31 106.36 2q2m h LEU 87 Ca -0.08 -0.07 -0.72 0.00 0.09 0.00 0.00 57.88 57.10 2q2m h LEU 87 Cb 0.35 -0.28 -0.28 0.00 0.09 0.00 0.00 40.66 40.54 2q2m h LEU 87 CO 0.11 0.85 -0.43 0.20 0.09 0.00 0.00 178.44 179.26 2q2m s ASN 88 N -6.22 5.70 0.15 -0.43 0.01 -1.26 -5.07 114.94 107.82 2q2m s ASN 88 Ca -0.13 -1.67 -0.31 0.00 -0.71 0.00 0.00 52.86 50.05 2q2m s ASN 88 Cb 0.17 -2.01 -0.08 0.00 0.41 0.00 0.00 41.25 39.74 2q2m s ASN 88 CO 0.82 -0.61 1.38 -1.61 -1.51 0.00 0.00 177.10 175.57 2q2m s GLU 89 N 1.41 4.33 0.04 -0.60 2.02 -1.25 -4.94 118.70 119.72 2q2m s GLU 89 Ca 0.04 2.09 0.04 0.00 0.02 0.00 0.00 54.97 57.16 2q2m s GLU 89 Cb -0.24 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 2q2m s GLU 89 CO 0.01 -0.39 -0.11 -0.80 0.02 0.00 0.00 175.26 173.99 2q2m s ASN 90 N 0.85 1.34 0.05 -0.19 -0.87 -1.18 -3.95 114.94 110.98 2q2m s ASN 90 Ca 0.62 -0.48 0.07 0.00 -1.57 0.00 0.00 52.86 51.50 2q2m s ASN 90 Cb -0.37 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.25 40.77 2q2m s ASN 90 CO 0.33 -0.05 -0.15 -0.54 -2.57 0.00 0.00 177.10 174.12 2q2m s LYS 91 N -1.29 2.14 -0.19 -0.60 1.02 -0.71 -0.68 119.74 119.43 2q2m s LYS 91 Ca -0.02 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 54.98 2q2m s LYS 91 Cb -0.08 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 2q2m s LYS 91 CO 0.01 0.54 -0.06 0.08 -0.92 0.00 0.00 175.35 175.01 2q2m s VAL 92 N -0.99 3.39 -0.12 3.17 1.01 0.11 -1.10 120.40 125.87 2q2m s VAL 92 Ca 0.16 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2q2m s VAL 92 Cb -0.11 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.75 2q2m s VAL 92 CO 0.07 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.67 2q2m s LEU 93 N 1.12 2.34 -0.36 3.92 2.01 0.08 -0.31 118.68 127.48 2q2m s LEU 93 Ca 0.01 -0.48 -0.16 0.00 0.01 0.00 0.00 54.13 53.52 2q2m s LEU 93 Cb -0.15 -1.50 -0.01 0.00 0.01 0.00 0.00 46.19 44.55 2q2m s LEU 93 CO -0.01 0.14 0.37 -0.69 1.01 0.00 0.00 176.35 177.18 2q2m s VAL 94 N 0.46 5.16 -0.05 -1.59 1.01 -0.06 -0.87 120.40 124.46 2q2m s VAL 94 Ca -0.13 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2q2m s VAL 94 Cb -0.17 -3.86 -0.31 0.00 0.00 0.00 0.00 36.38 32.04 2q2m s VAL 94 CO 0.06 -0.15 0.89 -0.07 0.00 0.00 0.00 175.10 175.82 2q2m h LEU 95 N 8.80 0.46 -7.00 3.92 3.38 -1.39 -1.80 115.31 121.67 2q2m h LEU 95 Ca -0.29 -0.95 0.13 0.00 0.09 0.00 0.00 57.88 56.85 2q2m h LEU 95 Cb 1.14 -0.15 -0.22 0.00 0.09 0.00 0.00 40.66 41.52 2q2m h LEU 95 CO 0.71 1.39 0.62 -0.62 0.09 0.00 0.00 178.44 180.64 2q2m s ASP 96 N -6.96 -0.30 -0.12 -0.43 2.15 -1.16 -2.81 116.67 107.03 2q2m s ASP 96 Ca -0.14 0.26 -0.30 0.00 0.43 0.00 0.00 52.55 52.80 2q2m s ASP 96 Cb 0.01 0.26 0.10 0.00 -0.30 0.00 0.00 42.92 42.99 2q2m s ASP 96 CO 0.83 -0.33 0.86 0.28 -0.17 0.00 0.00 175.17 176.65 2q2m s THR 97 N -1.50 0.00 -0.90 1.71 -1.32 -1.26 -0.22 115.64 112.14 2q2m s THR 97 Ca 0.02 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.60 2q2m s THR 97 Cb -0.01 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.26 2q2m s THR 97 CO -0.02 0.00 1.22 -0.90 -2.21 0.00 0.00 174.62 172.71 2q2m n ASP 98 N 0.91 2.83 0.00 8.08 5.75 -1.06 -4.99 116.55 128.06 2q2m n ASP 98 Ca -0.14 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 2q2m n ASP 98 Cb 0.57 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2q2m n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2q2m n TYR 99 N 0.47 0.00 0.54 2.11 4.01 -1.25 -4.44 117.16 118.59 2q2m n TYR 99 Ca 0.11 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.96 2q2m n TYR 99 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 2q2m n TYR 99 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2q2m n LYS 100 N 0.00 0.31 0.00 -0.72 2.85 -1.26 -4.77 118.16 114.57 2q2m n LYS 100 Ca 0.00 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2q2m n LYS 100 Cb 0.00 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 2q2m n LYS 100 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2q2m n LYS 101 N -2.00 0.00 -4.17 -1.58 4.81 -1.26 -4.74 118.16 109.22 2q2m n LYS 101 Ca 0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 2q2m n LYS 101 Cb 0.44 -0.39 -0.10 0.00 0.02 0.00 0.00 35.03 35.00 2q2m n LYS 101 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2q2m s TYR 102 N -1.85 0.92 -0.15 5.64 1.13 -1.26 -1.25 117.35 120.53 2q2m s TYR 102 Ca 0.00 -1.14 -0.08 0.00 -1.41 0.00 0.00 57.07 54.44 2q2m s TYR 102 Cb 0.00 -0.53 0.05 0.00 -1.10 0.00 0.00 41.96 40.38 2q2m s TYR 102 CO 0.00 -0.40 0.36 -1.17 -2.51 0.00 0.00 175.55 171.82 2q2m s LEU 103 N -3.07 0.09 -0.11 -3.49 0.20 -0.51 -2.55 118.68 109.24 2q2m s LEU 103 Ca 0.22 0.77 0.01 0.00 0.69 0.00 0.00 54.13 55.82 2q2m s LEU 103 Cb 0.07 1.15 -0.01 0.00 -0.43 0.00 0.00 46.19 46.97 2q2m s LEU 103 CO 0.01 -0.18 -0.16 -0.76 -0.29 0.00 0.00 176.35 174.97 2q2m s LEU 104 N 1.31 2.56 0.09 -0.68 1.43 0.69 -0.29 118.68 123.80 2q2m s LEU 104 Ca -0.09 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2q2m s LEU 104 Cb -0.09 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2q2m s LEU 104 CO -0.11 0.18 0.37 0.72 0.23 0.00 0.00 176.35 177.74 2q2m s PHE 105 N 0.24 -0.18 0.17 0.29 -0.71 -0.98 -1.13 117.98 115.70 2q2m s PHE 105 Ca -0.11 -0.05 0.07 0.00 -1.04 0.00 0.00 56.93 55.81 2q2m s PHE 105 Cb -0.16 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 2q2m s PHE 105 CO 0.06 -0.63 -0.15 0.00 -1.34 0.00 0.00 175.22 173.16 2q2m s MET 107 N -3.14 2.56 0.01 0.00 -1.94 0.14 -0.74 119.30 116.18 2q2m s MET 107 Ca 0.17 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.52 2q2m s MET 107 Cb -0.03 -2.07 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 2q2m s MET 107 CO 0.06 0.02 -0.19 -2.00 -0.01 0.00 0.00 175.02 172.89 2q2m s GLU 108 N 0.75 2.17 -0.71 2.03 2.12 -0.26 -1.40 118.70 123.40 2q2m s GLU 108 Ca -0.11 -0.91 -0.10 0.00 0.36 0.00 0.00 54.97 54.22 2q2m s GLU 108 Cb -0.16 -2.19 0.19 0.00 0.26 0.00 0.00 34.13 32.22 2q2m s GLU 108 CO 0.01 0.56 0.60 -0.80 -0.54 0.00 0.00 175.26 175.10 2q2m s ASN 109 N -1.07 6.14 0.14 -1.70 0.01 -0.48 -1.73 114.94 116.25 2q2m s ASN 109 Ca 0.13 -2.61 -0.16 0.00 -0.71 0.00 0.00 52.86 49.51 2q2m s ASN 109 Cb -0.10 -2.08 -0.00 0.00 0.41 0.00 0.00 41.25 39.47 2q2m s ASN 109 CO 0.02 -0.54 1.75 0.77 -1.51 0.00 0.00 177.10 177.59 2q2m h SER 110 N 7.68 0.47 -0.36 -1.22 4.64 -1.88 -3.15 113.55 119.74 2q2m h SER 110 Ca 0.01 -0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 2q2m h SER 110 Cb 1.02 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.90 2q2m h SER 110 CO 0.77 0.42 -0.26 0.00 -0.87 0.00 0.00 176.83 176.90 2q2m h ALA 111 N 1.07 -0.06 -1.66 5.18 0.00 -1.93 -3.43 119.26 118.43 2q2m h ALA 111 Ca 0.13 0.11 -0.52 0.00 0.00 0.00 0.00 54.91 54.64 2q2m h ALA 111 Cb 0.05 0.57 0.24 0.00 0.00 0.00 0.00 17.79 18.66 2q2m h ALA 111 CO -0.02 -0.65 -1.99 0.39 0.00 0.00 0.00 179.25 176.98 2q2m n GLU 112 N -5.40 -0.14 0.00 0.00 -0.58 -1.19 -4.97 120.64 108.37 2q2m n GLU 112 Ca 0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2q2m n GLU 112 Cb 0.31 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 2q2m n GLU 112 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2q2m n PRO 113 N 1.79 0.00 -1.23 3.49 -0.04 -1.26 -4.88 135.00 132.88 2q2m n PRO 113 Ca -0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.16 2q2m n PRO 113 Cb 0.63 -0.04 0.21 0.00 -0.04 0.00 0.00 33.50 34.25 2q2m n PRO 113 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2q2m s GLU 114 N 0.00 -0.36 -0.20 0.54 0.41 -1.26 -4.87 118.70 112.96 2q2m s GLU 114 Ca 0.00 0.10 -0.32 0.00 -0.41 0.00 0.00 54.97 54.35 2q2m s GLU 114 Cb 0.00 -1.68 -0.09 0.00 -1.78 0.00 0.00 34.13 30.58 2q2m s GLU 114 CO 0.00 -3.17 2.12 1.04 -0.49 0.00 0.00 175.26 174.75 2q2m n GLN 115 N -4.41 1.87 -3.60 1.61 6.02 -1.26 -4.91 117.38 112.69 2q2m n GLN 115 Ca 0.10 0.58 -0.40 0.00 -0.01 0.00 0.00 57.00 57.27 2q2m n GLN 115 Cb 0.59 -2.88 -0.10 0.00 1.02 0.00 0.00 30.24 28.87 2q2m n GLN 115 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2q2m s SER 116 N 6.75 5.63 -0.02 1.08 0.15 -1.26 -4.91 113.70 121.12 2q2m s SER 116 Ca 1.00 -1.65 0.07 0.00 0.70 0.00 0.00 55.95 56.07 2q2m s SER 116 Cb -0.56 -1.98 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 2q2m s SER 116 CO 0.43 -0.58 -0.22 -0.22 1.20 0.00 0.00 173.24 173.85 2q2m s LEU 117 N 1.39 2.04 -0.07 3.45 2.96 -1.26 -1.38 118.68 125.81 2q2m s LEU 117 Ca 0.04 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2q2m s LEU 117 Cb -0.24 -1.12 0.03 0.00 0.50 0.00 0.00 46.19 45.36 2q2m s LEU 117 CO 0.01 0.27 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.59 2q2m s VAL 118 N -0.51 0.57 0.21 1.68 1.01 -0.49 -0.74 120.40 122.12 2q2m s VAL 118 Ca 0.08 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.13 2q2m s VAL 118 Cb -0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2q2m s VAL 118 CO -0.01 0.28 -0.18 0.00 0.00 0.00 0.00 175.10 175.19 2q2m s GLN 120 N -2.89 0.49 -0.33 0.00 -0.21 0.60 -1.68 119.66 115.63 2q2m s GLN 120 Ca 0.24 -0.62 -0.08 0.00 0.02 0.00 0.00 55.36 54.91 2q2m s GLN 120 Cb -0.08 -0.29 0.02 0.00 1.00 0.00 0.00 33.01 33.67 2q2m s GLN 120 CO 0.13 0.06 0.13 0.00 -2.12 0.00 0.00 175.29 173.48 2q2m s LEU 122 N 1.49 3.95 0.06 0.00 1.43 0.61 -0.54 118.68 125.67 2q2m s LEU 122 Ca 0.01 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2q2m s LEU 122 Cb -0.18 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2q2m s LEU 122 CO 0.04 0.17 -0.06 0.68 0.23 0.00 0.00 176.35 177.40 2q2m s VAL 123 N -1.44 0.50 0.05 -1.59 -7.23 -0.43 -1.42 120.40 108.85 2q2m s VAL 123 Ca 0.31 -1.35 -0.19 0.00 -1.81 0.00 0.00 61.98 58.95 2q2m s VAL 123 Cb -0.12 -0.93 -0.13 0.00 0.56 0.00 0.00 36.38 35.76 2q2m s VAL 123 CO 0.24 -0.58 1.34 0.03 -0.31 0.00 0.00 175.10 175.82 2q2m h ARG 124 N 4.00 0.46 -4.63 4.82 2.47 -1.45 0.27 114.38 120.32 2q2m h ARG 124 Ca -0.35 -0.26 -0.27 0.00 -1.26 0.00 0.00 59.98 57.84 2q2m h ARG 124 Cb 1.19 0.02 -0.19 0.00 -1.65 0.00 0.00 29.97 29.33 2q2m h ARG 124 CO 0.49 0.85 -0.72 0.95 0.56 0.00 0.00 179.97 182.10 2q2m s THR 125 N -4.21 0.62 -0.38 2.04 -4.23 -1.26 -4.67 115.64 103.55 2q2m s THR 125 Ca -0.14 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2q2m s THR 125 Cb 0.06 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.95 2q2m s THR 125 CO 0.78 -0.52 0.49 -2.65 -0.54 0.00 0.00 174.62 172.18 2q2m n PRO 126 N 1.00 0.60 -1.37 3.99 -0.02 -1.26 -4.92 135.00 133.02 2q2m n PRO 126 Ca -0.19 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 60.92 2q2m n PRO 126 Cb 0.56 -1.24 0.08 0.00 -0.02 0.00 0.00 33.50 32.88 2q2m n PRO 126 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2q2m n GLU 127 N 0.51 0.50 -1.33 -0.52 0.28 -1.26 -4.85 120.64 113.97 2q2m n GLU 127 Ca 0.00 0.22 -0.36 0.00 -0.16 0.00 0.00 57.16 56.86 2q2m n GLU 127 Cb 0.24 -2.09 -0.05 0.00 1.43 0.00 0.00 31.44 30.98 2q2m n GLU 127 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2q2m n VAL 128 N -2.34 4.23 -4.67 3.84 0.24 -1.26 -4.85 118.33 113.52 2q2m n VAL 128 Ca 0.12 -2.59 -0.25 0.00 -2.04 0.00 0.00 64.34 59.58 2q2m n VAL 128 Cb 0.49 -2.49 -0.16 0.00 -1.47 0.00 0.00 33.84 30.21 2q2m n VAL 128 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2q2m s ASP 129 N 1.98 1.88 -0.11 -1.34 2.15 -1.26 -5.05 116.67 114.92 2q2m s ASP 129 Ca 0.68 -0.31 0.19 0.00 0.43 0.00 0.00 52.55 53.54 2q2m s ASP 129 Cb 0.20 -0.71 0.73 0.00 -0.30 0.00 0.00 42.92 42.84 2q2m s ASP 129 CO -0.06 0.08 1.64 -0.90 -0.17 0.00 0.00 175.17 175.76 2q2m n ASP 130 N 3.51 4.79 -0.15 -0.34 5.68 -1.26 -4.48 116.55 124.29 2q2m n ASP 130 Ca -0.21 -2.43 0.00 0.00 -0.50 0.00 0.00 54.79 51.66 2q2m n ASP 130 Cb 0.53 -0.58 0.27 0.00 -1.14 0.00 0.00 41.12 40.19 2q2m n ASP 130 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2q2m h GLU 131 N 4.18 0.86 -0.19 0.11 4.81 -1.99 -1.23 114.58 121.13 2q2m h GLU 131 Ca 0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2q2m h GLU 131 Cb 1.45 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2q2m h GLU 131 CO 0.23 0.62 0.07 0.00 -0.73 0.00 0.00 179.01 179.20 2q2m h ALA 132 N 1.53 0.25 -0.31 2.92 0.00 -1.97 -0.92 119.26 120.76 2q2m h ALA 132 Ca 0.23 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2q2m h ALA 132 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2q2m h ALA 132 CO -0.04 -0.15 -0.05 -0.07 0.00 0.00 0.00 179.25 178.93 2q2m h LEU 133 N 0.15 0.47 -0.09 0.00 3.38 -1.79 -0.80 115.31 116.63 2q2m h LEU 133 Ca 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2q2m h LEU 133 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2q2m h LEU 133 CO -0.00 0.57 -0.03 -0.33 0.09 0.00 0.00 178.44 178.74 2q2m h GLU 134 N 0.47 0.18 -0.61 1.13 4.39 -1.03 -1.09 114.58 118.02 2q2m h GLU 134 Ca 0.10 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.74 2q2m h GLU 134 Cb 0.39 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2q2m h GLU 134 CO 0.02 0.51 0.40 0.87 -1.16 0.00 0.00 179.01 179.64 2q2m h LYS 135 N -0.16 0.78 -0.08 2.33 1.79 -0.98 0.07 116.57 120.32 2q2m h LYS 135 Ca 0.02 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2q2m h LYS 135 Cb 0.44 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 2q2m h LYS 135 CO 0.01 0.52 -0.14 0.35 -1.08 0.00 0.00 179.45 179.11 2q2m h PHE 136 N 0.81 -0.36 -0.42 -1.35 3.57 -1.04 -0.28 116.94 117.88 2q2m h PHE 136 Ca 0.23 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.80 2q2m h PHE 136 Cb -0.08 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 2q2m h PHE 136 CO -0.04 -0.21 0.11 -0.44 -2.23 0.00 0.00 178.31 175.51 2q2m h ASP 137 N -0.19 0.06 -0.38 0.41 5.19 -0.74 -1.19 116.42 119.57 2q2m h ASP 137 Ca 0.07 0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.60 2q2m h ASP 137 Cb 0.30 0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 2q2m h ASP 137 CO -0.19 0.07 0.09 0.11 -3.12 0.00 0.00 179.24 176.19 2q2m h LYS 138 N 0.25 0.21 0.00 3.56 1.57 -0.13 -2.48 116.57 119.55 2q2m h LYS 138 Ca 0.20 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 2q2m h LYS 138 Cb 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2q2m h LYS 138 CO -0.24 0.14 -0.28 0.00 -0.57 0.00 0.00 179.45 178.49 2q2m h ALA 139 N 1.28 1.07 0.00 3.86 0.00 -0.63 -3.12 119.26 121.72 2q2m h ALA 139 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2q2m h ALA 139 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2q2m h ALA 139 CO -0.23 0.36 -0.25 -0.07 0.00 0.00 0.00 179.25 179.06 2q2m h LEU 140 N 0.00 0.00 -1.60 0.00 3.38 -0.80 -3.33 115.31 112.96 2q2m h LEU 140 Ca -0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2q2m h LEU 140 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2q2m h LEU 140 CO 0.04 0.03 0.29 0.07 0.09 0.00 0.00 178.44 178.96 2q2m h LYS 141 N 0.00 0.52 0.00 1.13 2.10 -1.40 -1.18 116.57 117.75 2q2m h LYS 141 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2q2m h LYS 141 Cb 0.81 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 2q2m h LYS 141 CO 0.00 0.35 0.00 0.00 -2.00 0.00 0.00 179.45 177.80 2q2m n ALA 142 N -2.48 2.11 -2.72 0.07 0.00 -1.25 -4.83 120.51 111.41 2q2m n ALA 142 Ca 0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 2q2m n ALA 142 Cb 0.10 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 2q2m n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2q2m s LEU 143 N -4.31 3.57 -1.10 0.00 1.43 -0.45 -5.06 118.68 112.77 2q2m s LEU 143 Ca 0.09 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 2q2m s LEU 143 Cb 0.12 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 44.23 2q2m s LEU 143 CO 0.53 0.14 1.33 -2.16 0.23 0.00 0.00 176.35 176.42 2q2m s PRO 144 N -2.58 3.89 -0.06 1.29 0.04 -1.26 -4.97 135.00 131.35 2q2m s PRO 144 Ca 0.28 -2.21 -0.17 0.00 0.04 0.00 0.00 61.00 58.94 2q2m s PRO 144 Cb -0.11 -5.04 -0.05 0.00 0.04 0.00 0.00 34.50 29.34 2q2m s PRO 144 CO 0.20 -1.80 0.45 -1.64 0.04 0.00 0.00 177.00 174.25 2q2m s MET 145 N 2.20 4.16 0.00 4.56 -1.94 -1.26 -4.37 119.30 122.65 2q2m s MET 145 Ca 0.39 0.44 0.17 0.00 -1.71 0.00 0.00 55.69 54.99 2q2m s MET 145 Cb -0.03 -3.34 -0.15 0.00 2.01 0.00 0.00 34.83 33.32 2q2m s MET 145 CO -0.04 0.41 0.76 0.72 -0.01 0.00 0.00 175.02 176.86 2q2m n HIS 146 N 2.78 0.00 -3.85 -0.03 8.25 0.25 -4.94 115.22 117.68 2q2m n HIS 146 Ca -0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 2q2m n HIS 146 Cb 0.52 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.51 2q2m n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2q2m s ILE 147 N -2.49 0.02 -0.06 1.59 2.07 -1.12 -4.76 121.20 116.46 2q2m s ILE 147 Ca 0.08 -0.19 -0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2q2m s ILE 147 Cb 0.13 -0.24 0.04 0.00 0.13 0.00 0.00 42.46 42.52 2q2m s ILE 147 CO 0.64 -0.11 0.10 -0.60 -1.91 0.00 0.00 174.94 173.07 2q2m s ARG 148 N -0.32 0.01 0.05 3.50 6.06 -1.26 -1.96 118.95 125.03 2q2m s ARG 148 Ca -0.04 0.39 0.09 0.00 -2.50 0.00 0.00 55.73 53.67 2q2m s ARG 148 Cb -0.03 -0.30 -0.03 0.00 0.06 0.00 0.00 34.95 34.65 2q2m s ARG 148 CO 0.00 -0.25 -0.26 -0.51 -2.50 0.00 0.00 175.30 171.79 2q2m s LEU 149 N 1.72 2.18 -0.08 -0.88 1.02 0.84 -5.00 118.68 118.48 2q2m s LEU 149 Ca -0.02 -0.60 -0.00 0.00 0.02 0.00 0.00 54.13 53.53 2q2m s LEU 149 Cb -0.12 -1.24 0.02 0.00 0.02 0.00 0.00 46.19 44.88 2q2m s LEU 149 CO -0.05 0.24 -0.04 -0.44 0.02 0.00 0.00 176.35 176.08 2q2m s SER 150 N -1.32 1.66 0.12 2.29 0.01 -1.26 -1.18 113.70 114.02 2q2m s SER 150 Ca 0.11 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 57.00 2q2m s SER 150 Cb -0.10 -0.60 -0.07 0.00 0.21 0.00 0.00 66.02 65.46 2q2m s SER 150 CO 0.02 -0.12 0.63 -0.36 0.41 0.00 0.00 173.24 173.82 2q2m s PHE 151 N 1.56 3.77 -0.99 2.43 0.08 -0.45 -5.02 117.98 119.37 2q2m s PHE 151 Ca 0.00 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.37 2q2m s PHE 151 Cb -0.13 -2.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 2q2m s PHE 151 CO -0.04 0.51 0.25 -1.71 -0.10 0.00 0.00 175.22 174.13