#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g79 n GLY 21 N 0.00 0.61 2.90 -0.02 0.00 -1.26 -5.01 105.19 102.41 1g79 n GLY 21 Ca 0.00 -2.26 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 1g79 n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g79 s LEU 22 N 0.00 3.06 -0.00 0.99 2.96 -1.26 -5.12 118.68 119.32 1g79 s LEU 22 Ca 0.00 -1.58 -0.00 0.00 -0.22 0.00 0.00 54.13 52.33 1g79 s LEU 22 Cb 0.00 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 1g79 s LEU 22 CO 0.00 -0.33 0.08 -0.13 -1.32 0.00 0.00 176.35 174.65 1g79 s ARG 23 N 1.33 3.04 0.27 1.98 1.81 -1.26 -4.94 118.95 121.18 1g79 s ARG 23 Ca 0.04 -0.50 -0.00 0.00 -1.72 0.00 0.00 55.73 53.54 1g79 s ARG 23 Cb -0.18 -2.84 0.56 0.00 -0.45 0.00 0.00 34.95 32.03 1g79 s ARG 23 CO -0.12 0.64 1.77 -0.09 -0.68 0.00 0.00 175.30 176.82 1g79 h ARG 24 N 4.08 0.66 0.00 3.54 2.43 -1.99 -1.16 114.38 121.94 1g79 h ARG 24 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1g79 h ARG 24 Cb 1.18 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1g79 h ARG 24 CO 0.62 0.44 0.01 0.07 -1.51 0.00 0.00 179.97 179.60 1g79 h ARG 25 N 0.68 0.00 -0.03 0.20 0.11 -2.05 -1.51 114.38 111.78 1g79 h ARG 25 Ca 0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.56 1g79 h ARG 25 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1g79 h ARG 25 CO -0.35 0.00 -0.00 -0.25 0.10 0.00 0.00 179.97 179.47 1g79 n ASP 26 N -2.36 2.82 -4.72 0.08 8.00 -0.44 -4.98 116.55 114.95 1g79 n ASP 26 Ca -0.02 -1.91 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 1g79 n ASP 26 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1g79 n ASP 26 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1g79 s LEU 27 N -1.82 4.40 0.51 0.64 1.02 -0.57 -5.03 118.68 117.83 1g79 s LEU 27 Ca 0.25 2.06 -0.19 0.00 0.02 0.00 0.00 54.13 56.28 1g79 s LEU 27 Cb 0.18 -3.59 -0.07 0.00 0.02 0.00 0.00 46.19 42.73 1g79 s LEU 27 CO 0.27 -0.41 1.02 -2.16 0.02 0.00 0.00 176.35 175.09 1g79 s PRO 28 N 0.61 3.76 0.31 1.29 0.04 -1.26 -4.94 135.00 134.81 1g79 s PRO 28 Ca 0.56 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1g79 s PRO 28 Cb -0.30 -2.10 0.52 0.00 0.04 0.00 0.00 34.50 32.67 1g79 s PRO 28 CO 0.31 -0.45 1.96 0.00 0.04 0.00 0.00 177.00 178.87 1g79 h ALA 29 N 1.22 1.48 -2.79 8.56 0.00 -2.00 -3.39 119.26 122.35 1g79 h ALA 29 Ca -0.48 -0.04 -0.64 0.00 0.00 0.00 0.00 54.91 53.75 1g79 h ALA 29 Cb 1.21 -0.29 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 1g79 h ALA 29 CO 0.59 0.45 -0.38 0.34 0.00 0.00 0.00 179.25 180.25 1g79 s ASP 30 N -6.25 6.14 0.57 0.00 3.68 -1.26 -4.80 116.67 114.75 1g79 s ASP 30 Ca -0.11 0.09 0.26 0.00 2.13 0.00 0.00 52.55 54.93 1g79 s ASP 30 Cb 0.18 -2.17 1.68 0.00 -1.45 0.00 0.00 42.92 41.17 1g79 s ASP 30 CO 0.79 -0.14 2.21 1.55 0.13 0.00 0.00 175.17 179.71 1g79 h PRO 31 N 8.29 0.00 0.00 4.34 0.13 -2.00 -1.66 132.00 141.10 1g79 h PRO 31 Ca -0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 1g79 h PRO 31 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1g79 h PRO 31 CO 0.60 0.00 -0.21 -0.07 -0.23 0.00 0.00 178.00 178.09 1g79 h LEU 32 N 0.00 0.00 -0.28 1.56 3.38 -1.94 0.77 115.31 118.79 1g79 h LEU 32 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1g79 h LEU 32 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1g79 h LEU 32 CO -0.00 0.21 0.15 0.74 0.09 0.00 0.00 178.44 179.63 1g79 h THR 33 N 0.00 1.14 -0.46 0.22 2.02 -1.69 0.35 112.91 114.49 1g79 h THR 33 Ca -0.00 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 66.68 1g79 h THR 33 Cb 0.48 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1g79 h THR 33 CO 0.03 0.14 -0.19 0.25 0.37 0.00 0.00 175.52 176.12 1g79 h LEU 34 N 0.33 0.93 -0.47 2.58 5.85 -1.39 -2.00 115.31 121.15 1g79 h LEU 34 Ca 0.10 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1g79 h LEU 34 Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1g79 h LEU 34 CO -0.01 1.09 0.19 0.15 -0.34 0.00 0.00 178.44 179.51 1g79 h PHE 35 N 0.80 0.71 -0.93 1.25 3.04 -0.47 -1.11 116.94 120.23 1g79 h PHE 35 Ca 0.11 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1g79 h PHE 35 Cb 0.74 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.99 1g79 h PHE 35 CO 0.04 0.60 0.59 1.49 -2.02 0.00 0.00 178.31 179.02 1g79 h GLU 36 N 0.61 1.24 -0.01 1.11 4.81 -0.14 0.12 114.58 122.33 1g79 h GLU 36 Ca 0.16 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1g79 h GLU 36 Cb 0.19 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1g79 h GLU 36 CO -0.01 0.84 0.00 -0.09 -0.73 0.00 0.00 179.01 179.02 1g79 h ARG 37 N 1.27 0.01 -0.44 1.92 2.43 -1.07 0.09 114.38 118.58 1g79 h ARG 37 Ca 0.34 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1g79 h ARG 37 Cb -0.10 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1g79 h ARG 37 CO -0.07 0.20 0.10 -1.49 -1.51 0.00 0.00 179.97 177.20 1g79 h TRP 38 N -0.18 0.67 -0.25 2.20 4.06 -0.80 -1.36 115.95 120.28 1g79 h TRP 38 Ca 0.00 -0.05 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 1g79 h TRP 38 Cb 0.19 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1g79 h TRP 38 CO -0.01 0.58 -0.12 1.25 -3.56 0.00 0.00 178.44 176.59 1g79 h LEU 39 N 0.64 0.54 -0.38 -4.49 5.85 -0.58 -1.18 115.31 115.71 1g79 h LEU 39 Ca 0.14 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1g79 h LEU 39 Cb 0.26 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1g79 h LEU 39 CO -0.00 0.83 0.13 -1.28 -0.34 0.00 0.00 178.44 177.78 1g79 h SER 40 N 0.26 0.14 0.17 1.25 0.87 -0.62 -1.13 113.55 114.48 1g79 h SER 40 Ca 0.06 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1g79 h SER 40 Cb 0.62 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 1g79 h SER 40 CO 0.04 0.12 -0.26 1.56 -0.53 0.00 0.00 176.83 177.76 1g79 h GLN 41 N 0.29 0.16 -0.43 2.24 4.20 -1.14 0.09 115.11 120.52 1g79 h GLN 41 Ca 0.17 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1g79 h GLN 41 Cb 0.15 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1g79 h GLN 41 CO -0.18 0.41 0.06 0.00 -0.67 0.00 0.00 178.83 178.45 1g79 h ALA 42 N 1.60 0.57 0.14 3.87 0.00 -0.29 0.02 119.26 125.16 1g79 h ALA 42 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1g79 h ALA 42 Cb 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1g79 h ALA 42 CO 0.04 0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 1g79 h GLU 44 N -0.42 0.49 -0.02 0.00 4.81 -0.85 0.65 114.58 119.24 1g79 h GLU 44 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1g79 h GLU 44 Cb 0.34 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1g79 h GLU 44 CO 0.03 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 178.64 1g79 n ALA 45 N -2.39 2.62 -3.74 2.92 0.00 -0.02 -4.91 120.51 114.99 1g79 n ALA 45 Ca 0.26 -0.25 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1g79 n ALA 45 Cb 0.79 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.96 1g79 n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g79 n LYS 46 N -0.58 -6.58 -2.33 0.00 4.01 0.23 -4.95 118.16 107.95 1g79 n LYS 46 Ca 0.19 0.71 -0.35 0.00 -0.51 0.00 0.00 58.31 58.35 1g79 n LYS 46 Cb 0.16 -5.66 -0.01 0.00 -0.51 0.00 0.00 35.03 29.02 1g79 n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1g79 s LEU 47 N -7.20 3.79 0.21 -0.35 1.43 -0.93 -4.95 118.68 110.69 1g79 s LEU 47 Ca 0.54 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 55.47 1g79 s LEU 47 Cb -0.26 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.32 1g79 s LEU 47 CO 0.78 -1.09 1.32 0.00 0.23 0.00 0.00 176.35 177.60 1g79 s ALA 48 N -1.80 3.54 -0.96 4.21 0.00 -1.26 -3.73 121.76 121.76 1g79 s ALA 48 Ca 0.71 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 53.69 1g79 s ALA 48 Cb -0.22 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.41 1g79 s ALA 48 CO 0.26 -0.56 0.67 -0.25 0.00 0.00 0.00 175.76 175.88 1g79 n ASP 49 N 2.52 -5.21 0.12 0.00 8.00 -1.26 -4.83 116.55 115.88 1g79 n ASP 49 Ca 0.06 -0.93 0.16 0.00 0.71 0.00 0.00 54.79 54.79 1g79 n ASP 49 Cb 0.42 -2.52 0.69 0.00 -0.02 0.00 0.00 41.12 39.69 1g79 n ASP 49 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1g79 h PRO 50 N -1.01 0.00 -0.07 -0.24 0.11 -1.91 -0.63 132.00 128.25 1g79 h PRO 50 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 1g79 h PRO 50 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1g79 h PRO 50 CO 0.41 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.45 1g79 n THR 51 N -4.36 0.07 -2.31 -1.15 -2.24 -1.26 -4.90 114.28 98.12 1g79 n THR 51 Ca 0.04 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1g79 n THR 51 Cb 0.39 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1g79 n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g79 s ALA 52 N -1.93 3.47 0.02 6.98 0.00 -0.25 -1.06 121.76 129.00 1g79 s ALA 52 Ca 0.36 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1g79 s ALA 52 Cb 0.20 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1g79 s ALA 52 CO 0.31 -0.46 -0.03 0.00 0.00 0.00 0.00 175.76 175.58 1g79 s MET 53 N 0.27 0.29 -0.24 0.00 0.23 -0.44 -4.45 119.30 114.96 1g79 s MET 53 Ca 0.57 -0.53 -0.19 0.00 -1.03 0.00 0.00 55.69 54.51 1g79 s MET 53 Cb -0.34 0.04 -0.03 0.00 -1.53 0.00 0.00 34.83 32.97 1g79 s MET 53 CO 0.34 -0.03 0.55 0.08 -2.03 0.00 0.00 175.02 173.93 1g79 s VAL 54 N -1.20 5.06 -0.23 5.16 1.01 0.14 -1.17 120.40 129.17 1g79 s VAL 54 Ca -0.13 0.97 -0.10 0.00 0.00 0.00 0.00 61.98 62.72 1g79 s VAL 54 Cb -0.08 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1g79 s VAL 54 CO -0.01 0.10 0.14 -0.69 0.00 0.00 0.00 175.10 174.64 1g79 s VAL 55 N 2.15 5.19 -0.13 2.92 1.01 -0.24 -1.13 120.40 130.18 1g79 s VAL 55 Ca 0.23 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1g79 s VAL 55 Cb -0.16 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1g79 s VAL 55 CO 0.09 0.36 -0.01 0.00 0.00 0.00 0.00 175.10 175.54 1g79 s ALA 56 N 1.02 3.17 0.34 5.51 0.00 0.18 -2.80 121.76 129.17 1g79 s ALA 56 Ca 0.07 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1g79 s ALA 56 Cb -0.14 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1g79 s ALA 56 CO 0.04 0.38 0.08 0.95 0.00 0.00 0.00 175.76 177.21 1g79 s THR 57 N -0.19 0.91 -0.05 0.00 -4.23 -0.49 -2.24 115.64 109.35 1g79 s THR 57 Ca 0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1g79 s THR 57 Cb -0.13 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.08 1g79 s THR 57 CO 0.02 0.00 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.31 1g79 s VAL 58 N -3.36 0.93 0.95 2.29 1.01 -1.26 -0.43 120.40 120.53 1g79 s VAL 58 Ca 0.33 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1g79 s VAL 58 Cb 0.07 -0.87 0.22 0.00 0.00 0.00 0.00 36.38 35.80 1g79 s VAL 58 CO 0.15 0.31 1.29 -0.90 0.00 0.00 0.00 175.10 175.95 1g79 n ASP 59 N 3.80 0.27 0.18 3.32 5.68 -0.44 -4.66 116.55 124.69 1g79 n ASP 59 Ca -0.23 -1.57 0.13 0.00 -0.50 0.00 0.00 54.79 52.62 1g79 n ASP 59 Cb 0.52 -0.97 0.65 0.00 -1.14 0.00 0.00 41.12 40.17 1g79 n ASP 59 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1g79 h GLU 60 N 0.00 0.00 -0.24 0.11 4.11 -1.93 -2.10 114.58 114.53 1g79 h GLU 60 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1g79 h GLU 60 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1g79 h GLU 60 CO 0.31 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.11 1g79 n HIS 61 N -2.40 0.30 -0.72 2.06 8.25 -1.26 -4.92 115.22 116.53 1g79 n HIS 61 Ca -0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1g79 n HIS 61 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1g79 n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g79 n GLY 62 N 1.37 0.62 3.61 -1.41 0.00 -0.79 -5.04 105.19 103.55 1g79 n GLY 62 Ca 0.18 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1g79 n GLY 62 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g79 s GLN 63 N -0.55 3.96 0.52 1.61 2.00 -1.26 -4.85 119.66 121.08 1g79 s GLN 63 Ca 0.00 0.45 -0.18 0.00 -2.00 0.00 0.00 55.36 53.63 1g79 s GLN 63 Cb 0.00 -3.71 -0.07 0.00 0.80 0.00 0.00 33.01 30.02 1g79 s GLN 63 CO 0.00 -0.58 1.01 -1.25 -0.50 0.00 0.00 175.29 173.97 1g79 s PRO 64 N 2.70 3.79 0.05 1.67 0.04 -1.26 -1.33 135.00 140.65 1g79 s PRO 64 Ca 0.28 1.15 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1g79 s PRO 64 Cb -0.15 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1g79 s PRO 64 CO 0.11 -0.42 -0.10 0.71 0.04 0.00 0.00 177.00 177.35 1g79 s TYR 65 N -2.35 0.82 0.07 0.56 1.51 0.43 -4.92 117.35 113.47 1g79 s TYR 65 Ca 0.63 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1g79 s TYR 65 Cb -0.13 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1g79 s TYR 65 CO 0.27 -0.04 -0.07 -0.65 -1.11 0.00 0.00 175.55 173.95 1g79 s GLN 66 N -1.53 0.70 -0.14 -0.62 -0.21 -1.26 -1.39 119.66 115.20 1g79 s GLN 66 Ca -0.07 -1.07 -0.30 0.00 0.02 0.00 0.00 55.36 53.94 1g79 s GLN 66 Cb -0.10 -0.26 0.12 0.00 1.00 0.00 0.00 33.01 33.78 1g79 s GLN 66 CO 0.01 0.02 0.99 -0.98 -2.12 0.00 0.00 175.29 173.20 1g79 s ARG 67 N -2.77 0.62 0.12 2.91 3.03 -1.12 -5.00 118.95 116.73 1g79 s ARG 67 Ca 0.02 0.07 -0.23 0.00 2.03 0.00 0.00 55.73 57.62 1g79 s ARG 67 Cb -0.02 0.29 -0.07 0.00 -1.03 0.00 0.00 34.95 34.12 1g79 s ARG 67 CO -0.02 -0.21 0.71 0.42 -1.13 0.00 0.00 175.30 175.06 1g79 s ILE 68 N -1.43 4.53 0.15 4.99 1.01 -1.26 -1.08 121.20 128.11 1g79 s ILE 68 Ca -0.00 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1g79 s ILE 68 Cb -0.01 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1g79 s ILE 68 CO -0.00 0.52 0.04 0.68 0.00 0.00 0.00 174.94 176.17 1g79 s VAL 69 N -1.01 0.33 -0.16 2.92 -7.23 -0.31 -4.94 120.40 110.00 1g79 s VAL 69 Ca 0.34 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 1g79 s VAL 69 Cb -0.22 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1g79 s VAL 69 CO 0.23 -0.46 0.20 -0.76 -0.31 0.00 0.00 175.10 174.01 1g79 s LEU 70 N -3.10 4.27 0.07 1.32 1.43 -1.26 -1.32 118.68 120.09 1g79 s LEU 70 Ca 0.24 0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 53.45 1g79 s LEU 70 Cb 0.07 -2.21 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 1g79 s LEU 70 CO 0.03 0.21 1.31 -0.22 0.23 0.00 0.00 176.35 177.90 1g79 s LEU 71 N 0.04 4.36 -0.01 1.79 2.96 -0.22 -4.51 118.68 123.09 1g79 s LEU 71 Ca 0.13 2.16 0.07 0.00 -0.22 0.00 0.00 54.13 56.27 1g79 s LEU 71 Cb -0.12 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 1g79 s LEU 71 CO 0.02 -0.58 0.20 0.29 -1.32 0.00 0.00 176.35 174.96 1g79 n LYS 72 N 4.15 1.77 -3.56 1.98 4.76 0.35 -4.89 118.16 122.71 1g79 n LYS 72 Ca 0.11 -0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1g79 n LYS 72 Cb 0.44 -1.05 -0.04 0.00 -1.84 0.00 0.00 35.03 32.54 1g79 n LYS 72 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1g79 s HIS 73 N -2.20 -0.36 -0.08 2.13 2.46 -1.23 -5.01 115.29 111.00 1g79 s HIS 73 Ca -0.01 0.53 -0.26 0.00 0.47 0.00 0.00 55.06 55.79 1g79 s HIS 73 Cb 0.05 0.47 0.06 0.00 -0.13 0.00 0.00 32.58 33.03 1g79 s HIS 73 CO 0.29 -0.38 0.61 1.52 -2.47 0.00 0.00 174.74 174.30 1g79 s TYR 74 N -1.59 -0.58 0.19 3.88 -0.85 -1.26 -0.90 117.35 116.24 1g79 s TYR 74 Ca -0.00 1.09 -0.13 0.00 -0.52 0.00 0.00 57.07 57.51 1g79 s TYR 74 Cb -0.01 0.32 0.05 0.00 0.38 0.00 0.00 41.96 42.70 1g79 s TYR 74 CO -0.01 -0.52 0.65 -0.40 -1.52 0.00 0.00 175.55 173.75 1g79 n ASP 75 N 1.33 -1.36 0.14 -0.18 3.85 -0.94 -4.99 116.55 114.40 1g79 n ASP 75 Ca -0.18 -1.82 0.19 0.00 -0.71 0.00 0.00 54.79 52.27 1g79 n ASP 75 Cb 0.57 2.23 0.77 0.00 -1.35 0.00 0.00 41.12 43.34 1g79 n ASP 75 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1g79 h GLU 76 N 0.00 0.00 0.00 0.11 9.09 -2.02 0.23 114.58 122.00 1g79 h GLU 76 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1g79 h GLU 76 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 1g79 h GLU 76 CO 0.27 0.00 0.00 0.87 0.05 0.00 0.00 179.01 180.20 1g79 h LYS 77 N 0.00 0.00 0.00 1.06 1.57 -1.95 -3.42 116.57 113.82 1g79 h LYS 77 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1g79 h LYS 77 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1g79 h LYS 77 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1g79 n GLY 78 N 0.76 0.95 3.53 3.86 0.00 0.82 -4.29 105.19 110.82 1g79 n GLY 78 Ca 0.04 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1g79 n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g79 s MET 79 N -1.54 3.37 -0.08 1.61 -1.94 0.06 -2.21 119.30 118.57 1g79 s MET 79 Ca 0.00 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 1g79 s MET 79 Cb 0.00 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 1g79 s MET 79 CO 0.00 0.39 -0.05 0.08 -0.01 0.00 0.00 175.02 175.43 1g79 s VAL 80 N -0.05 3.83 0.04 -6.03 1.01 -0.08 -0.05 120.40 119.07 1g79 s VAL 80 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1g79 s VAL 80 Cb -0.13 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1g79 s VAL 80 CO 0.03 0.60 0.17 0.72 0.00 0.00 0.00 175.10 176.61 1g79 s PHE 81 N -0.77 0.10 0.17 5.22 -0.71 -0.89 -0.50 117.98 120.60 1g79 s PHE 81 Ca 0.12 -0.36 0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1g79 s PHE 81 Cb -0.11 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1g79 s PHE 81 CO 0.02 -0.42 -0.04 0.71 -1.34 0.00 0.00 175.22 174.15 1g79 s TYR 82 N -2.70 2.78 0.21 3.49 1.51 -1.26 -1.30 117.35 120.08 1g79 s TYR 82 Ca -0.04 -0.16 -0.23 0.00 -1.01 0.00 0.00 57.07 55.64 1g79 s TYR 82 Cb -0.00 -1.37 0.06 0.00 -0.11 0.00 0.00 41.96 40.54 1g79 s TYR 82 CO -0.05 0.51 0.94 -0.08 -1.11 0.00 0.00 175.55 175.76 1g79 s THR 83 N -1.65 0.00 -0.04 -0.71 -1.32 -0.16 -4.92 115.64 106.84 1g79 s THR 83 Ca 0.26 -0.72 -0.29 0.00 -1.21 0.00 0.00 61.69 59.73 1g79 s THR 83 Cb -0.09 -2.36 -0.03 0.00 -1.51 0.00 0.00 72.50 68.51 1g79 s THR 83 CO 0.17 0.00 0.95 0.21 -2.21 0.00 0.00 174.62 173.74 1g79 s ASN 84 N -3.09 7.29 0.00 8.08 2.47 -1.26 -1.62 114.94 126.81 1g79 s ASN 84 Ca 0.15 1.57 0.14 0.00 0.42 0.00 0.00 52.86 55.14 1g79 s ASN 84 Cb -0.03 -2.55 0.68 0.00 -1.45 0.00 0.00 41.25 37.90 1g79 s ASN 84 CO 0.05 -0.29 1.43 0.18 -3.72 0.00 0.00 177.10 174.75 1g79 n LEU 85 N 4.18 0.00 -0.80 3.21 4.77 0.73 -2.09 117.00 127.00 1g79 n LEU 85 Ca 0.06 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1g79 n LEU 85 Cb 0.50 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1g79 n LEU 85 CO 0.51 -0.20 0.54 0.61 -1.33 0.00 0.00 177.39 177.52 1g79 n GLY 86 N -0.03 0.64 3.65 -0.72 0.00 -1.26 -4.66 105.19 102.80 1g79 n GLY 86 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1g79 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g79 s SER 87 N -1.91 2.67 0.19 1.61 1.04 -0.89 -4.82 113.70 111.58 1g79 s SER 87 Ca 0.24 1.53 -0.09 0.00 0.48 0.00 0.00 55.95 58.12 1g79 s SER 87 Cb 0.18 -2.20 0.10 0.00 0.10 0.00 0.00 66.02 64.20 1g79 s SER 87 CO 0.32 -3.15 1.70 0.03 0.98 0.00 0.00 173.24 173.12 1g79 h ARG 88 N -1.90 1.11 -0.50 4.02 3.08 -1.89 -2.01 114.38 116.29 1g79 h ARG 88 Ca -0.52 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.21 1g79 h ARG 88 Cb 1.30 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 1g79 h ARG 88 CO 0.52 0.99 0.13 1.57 -1.07 0.00 0.00 179.97 182.12 1g79 h LYS 89 N 1.04 0.75 -0.19 0.04 2.10 -1.93 -0.25 116.57 118.15 1g79 h LYS 89 Ca 0.21 -0.14 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 1g79 h LYS 89 Cb 0.39 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1g79 h LYS 89 CO 0.01 0.67 0.00 0.00 -2.00 0.00 0.00 179.45 178.13 1g79 h ALA 90 N 1.42 0.25 -0.80 0.07 0.00 -1.76 -0.18 119.26 118.25 1g79 h ALA 90 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1g79 h ALA 90 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1g79 h ALA 90 CO -0.01 -0.04 0.51 0.45 0.00 0.00 0.00 179.25 180.17 1g79 h HIS 91 N 0.08 1.03 -0.50 0.00 3.86 -0.98 -1.42 115.15 117.23 1g79 h HIS 91 Ca 0.05 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.19 1g79 h HIS 91 Cb 0.38 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1g79 h HIS 91 CO 0.03 0.66 -0.03 1.96 0.86 0.00 0.00 177.93 181.42 1g79 h GLN 92 N 1.09 0.90 -0.48 2.45 4.20 -0.87 -2.64 115.11 119.75 1g79 h GLN 92 Ca 0.29 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1g79 h GLN 92 Cb -0.09 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1g79 h GLN 92 CO -0.06 0.95 0.13 0.82 -0.67 0.00 0.00 178.83 179.99 1g79 h ILE 93 N 0.76 1.21 -0.03 2.54 2.04 -0.73 0.26 117.51 123.56 1g79 h ILE 93 Ca 0.14 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1g79 h ILE 93 Cb 0.56 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1g79 h ILE 93 CO 0.03 0.27 -0.24 -0.33 0.00 0.00 0.00 178.15 177.89 1g79 h GLU 94 N 0.71 0.05 0.00 2.37 5.08 -0.92 -2.46 114.58 119.41 1g79 h GLU 94 Ca 0.16 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.31 1g79 h GLU 94 Cb 0.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1g79 h GLU 94 CO -0.00 0.28 -1.34 -0.97 -1.00 0.00 0.00 179.01 175.98 1g79 h ASN 95 N 0.05 0.00 -1.75 1.42 -0.73 -1.09 -3.44 115.58 110.03 1g79 h ASN 95 Ca 0.01 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.00 1g79 h ASN 95 Cb 0.44 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 38.75 1g79 h ASN 95 CO 0.03 0.72 -0.52 0.21 -0.37 0.00 0.00 177.43 177.51 1g79 s ASN 96 N -6.04 0.33 0.00 1.15 3.84 0.02 -5.04 114.94 109.21 1g79 s ASN 96 Ca -0.02 -0.19 0.16 0.00 0.21 0.00 0.00 52.86 53.01 1g79 s ASN 96 Cb 0.08 1.12 0.77 0.00 -0.55 0.00 0.00 41.25 42.67 1g79 s ASN 96 CO 0.81 -0.34 1.45 -0.81 -2.79 0.00 0.00 177.10 175.42 1g79 n PRO 97 N 5.36 0.19 -2.43 0.43 -0.04 -0.96 -4.08 135.00 133.47 1g79 n PRO 97 Ca -0.01 0.15 -0.43 0.00 -0.04 0.00 0.00 63.50 63.18 1g79 n PRO 97 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1g79 n PRO 97 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g79 s ARG 98 N -2.64 4.14 0.30 0.54 0.52 -1.26 -0.26 118.95 120.28 1g79 s ARG 98 Ca 0.14 1.53 0.03 0.00 -0.52 0.00 0.00 55.73 56.90 1g79 s ARG 98 Cb 0.10 -3.80 -0.06 0.00 0.52 0.00 0.00 34.95 31.72 1g79 s ARG 98 CO 0.24 -0.83 0.06 0.14 0.02 0.00 0.00 175.30 174.94 1g79 s VAL 99 N 3.76 0.99 0.02 3.52 -7.23 0.06 -4.58 120.40 116.94 1g79 s VAL 99 Ca 0.55 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1g79 s VAL 99 Cb -0.20 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1g79 s VAL 99 CO 0.17 -0.03 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.28 1g79 s SER 100 N -3.42 1.11 -0.04 4.85 0.15 -0.95 -2.40 113.70 113.00 1g79 s SER 100 Ca 0.36 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.73 1g79 s SER 100 Cb 0.08 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1g79 s SER 100 CO 0.14 0.00 -0.17 -0.76 1.20 0.00 0.00 173.24 173.66 1g79 s LEU 101 N -0.80 1.94 -0.04 3.45 1.43 -0.00 -0.65 118.68 124.01 1g79 s LEU 101 Ca -0.01 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1g79 s LEU 101 Cb -0.06 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.24 1g79 s LEU 101 CO 0.00 0.17 -0.02 -0.22 0.23 0.00 0.00 176.35 176.51 1g79 s LEU 102 N -0.07 1.18 -0.44 1.79 0.20 -0.28 -0.47 118.68 120.59 1g79 s LEU 102 Ca -0.01 -0.09 -0.18 0.00 0.69 0.00 0.00 54.13 54.55 1g79 s LEU 102 Cb -0.10 -0.37 0.03 0.00 -0.43 0.00 0.00 46.19 45.32 1g79 s LEU 102 CO 0.01 -0.09 0.47 -0.36 -0.29 0.00 0.00 176.35 176.10 1g79 s PHE 103 N 1.08 3.15 -1.36 5.38 0.40 0.06 0.26 117.98 126.95 1g79 s PHE 103 Ca -0.09 -0.45 -0.16 0.00 -0.60 0.00 0.00 56.93 55.62 1g79 s PHE 103 Cb -0.14 -3.06 0.06 0.00 0.51 0.00 0.00 43.02 40.39 1g79 s PHE 103 CO -0.01 -0.78 1.94 -0.35 0.70 0.00 0.00 175.22 176.72 1g79 n PRO 104 N 5.69 3.05 -1.25 0.24 -0.04 -1.26 -3.20 135.00 138.23 1g79 n PRO 104 Ca -0.07 -3.00 -0.26 0.00 -0.04 0.00 0.00 63.50 60.13 1g79 n PRO 104 Cb 0.47 -3.41 0.15 0.00 -0.04 0.00 0.00 33.50 30.66 1g79 n PRO 104 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1g79 n TRP 105 N 7.50 2.97 0.29 0.54 8.01 -1.07 -4.67 117.44 131.00 1g79 n TRP 105 Ca 0.50 -2.20 0.18 0.00 -1.31 0.00 0.00 57.50 54.67 1g79 n TRP 105 Cb 0.43 -1.05 0.96 0.00 -2.01 0.00 0.00 31.31 29.64 1g79 n TRP 105 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.69 177.80 1g79 h HIS 106 N 1.33 0.00 0.00 -5.99 2.07 -1.72 0.13 115.15 110.98 1g79 h HIS 106 Ca 0.59 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 58.09 1g79 h HIS 106 Cb 2.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 32.10 1g79 h HIS 106 CO 1.49 0.00 -0.12 1.79 -3.07 0.00 0.00 177.93 178.02 1g79 h THR 107 N 0.00 0.45 -0.44 6.12 1.35 -1.86 0.32 112.91 118.84 1g79 h THR 107 Ca 0.00 -0.62 -0.12 0.00 -0.55 0.00 0.00 66.41 65.12 1g79 h THR 107 Cb 0.07 1.43 -0.07 0.00 -1.73 0.00 0.00 68.15 67.85 1g79 h THR 107 CO 0.00 0.12 0.07 0.18 -0.25 0.00 0.00 175.52 175.64 1g79 n LEU 108 N -3.48 4.69 -4.04 3.87 4.77 0.40 -4.94 117.00 118.27 1g79 n LEU 108 Ca -0.01 -3.27 -0.33 0.00 -0.03 0.00 0.00 56.01 52.37 1g79 n LEU 108 Cb 0.27 -0.64 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1g79 n LEU 108 CO 0.30 0.86 0.06 -0.62 -1.33 0.00 0.00 177.39 176.65 1g79 n GLU 109 N -0.55 -4.62 -4.09 3.23 1.02 0.10 -4.86 120.64 110.88 1g79 n GLU 109 Ca 0.31 0.51 -0.10 0.00 -0.02 0.00 0.00 57.16 57.86 1g79 n GLU 109 Cb 1.10 -5.34 -0.11 0.00 -0.02 0.00 0.00 31.44 27.07 1g79 n GLU 109 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1g79 s ARG 110 N -6.75 0.60 -0.02 3.49 0.52 -0.78 0.06 118.95 116.07 1g79 s ARG 110 Ca 0.70 -1.01 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 1g79 s ARG 110 Cb -0.37 -0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.03 1g79 s ARG 110 CO 0.87 -0.02 0.13 -0.65 0.02 0.00 0.00 175.30 175.65 1g79 s GLN 111 N -2.77 0.36 -0.04 3.54 -0.21 -0.65 -2.11 119.66 117.79 1g79 s GLN 111 Ca -0.01 -0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.20 1g79 s GLN 111 Cb -0.01 0.15 0.01 0.00 1.00 0.00 0.00 33.01 34.17 1g79 s GLN 111 CO -0.04 -0.08 -0.08 0.08 -2.12 0.00 0.00 175.29 173.06 1g79 s VAL 112 N -0.86 0.76 -0.05 1.09 1.01 -1.19 -1.09 120.40 120.06 1g79 s VAL 112 Ca -0.09 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1g79 s VAL 112 Cb -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1g79 s VAL 112 CO 0.01 0.26 -0.15 -0.32 0.00 0.00 0.00 175.10 174.90 1g79 s MET 113 N 0.64 1.68 -0.05 2.72 1.75 -0.17 -0.76 119.30 125.11 1g79 s MET 113 Ca -0.10 -0.53 0.06 0.00 -1.25 0.00 0.00 55.69 53.86 1g79 s MET 113 Cb -0.13 -1.45 -0.01 0.00 2.84 0.00 0.00 34.83 36.08 1g79 s MET 113 CO 0.01 0.18 -0.23 0.08 -0.65 0.00 0.00 175.02 174.41 1g79 s VAL 114 N 0.20 1.91 -0.09 10.11 1.01 0.38 0.08 120.40 134.00 1g79 s VAL 114 Ca -0.06 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1g79 s VAL 114 Cb -0.12 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1g79 s VAL 114 CO 0.02 0.53 -0.21 -0.63 0.00 0.00 0.00 175.10 174.82 1g79 s ILE 115 N -0.12 2.36 -0.00 2.22 -1.09 0.08 -0.82 121.20 123.83 1g79 s ILE 115 Ca -0.04 -0.93 -0.16 0.00 -2.23 0.00 0.00 60.65 57.29 1g79 s ILE 115 Cb -0.13 -1.91 0.05 0.00 -1.58 0.00 0.00 42.46 38.89 1g79 s ILE 115 CO 0.03 0.56 0.73 0.61 -1.23 0.00 0.00 174.94 175.64 1g79 n GLY 116 N 3.25 0.43 3.75 6.18 0.00 -1.01 -0.95 105.19 116.83 1g79 n GLY 116 Ca -0.18 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1g79 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g79 s LYS 117 N -2.01 3.33 -0.17 1.61 -0.14 -1.26 -0.76 119.74 120.34 1g79 s LYS 117 Ca 0.17 -0.29 -0.18 0.00 -1.36 0.00 0.00 55.97 54.31 1g79 s LYS 117 Cb -0.01 -3.01 -0.04 0.00 -1.68 0.00 0.00 37.83 33.09 1g79 s LYS 117 CO -0.00 0.66 0.47 0.00 -0.76 0.00 0.00 175.35 175.71 1g79 s ALA 118 N -0.72 3.52 0.03 5.17 0.00 0.65 -1.22 121.76 129.19 1g79 s ALA 118 Ca 0.12 -0.35 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1g79 s ALA 118 Cb -0.12 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1g79 s ALA 118 CO 0.03 -0.23 -0.25 -1.83 0.00 0.00 0.00 175.76 173.48 1g79 s GLU 119 N 1.14 1.76 0.48 0.00 -1.05 -0.12 -4.85 118.70 116.05 1g79 s GLU 119 Ca 0.23 -1.00 -0.23 0.00 -0.15 0.00 0.00 54.97 53.82 1g79 s GLU 119 Cb -0.15 -1.85 -0.07 0.00 -0.44 0.00 0.00 34.13 31.62 1g79 s GLU 119 CO 0.09 0.49 1.27 1.03 0.95 0.00 0.00 175.26 179.08 1g79 s ARG 120 N -1.03 3.60 0.53 -4.83 1.81 -1.26 -0.51 118.95 117.25 1g79 s ARG 120 Ca 0.10 2.03 -0.09 0.00 -1.72 0.00 0.00 55.73 56.06 1g79 s ARG 120 Cb -0.10 -2.44 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 1g79 s ARG 120 CO 0.01 -0.76 0.88 -0.51 -0.68 0.00 0.00 175.30 174.25 1g79 s LEU 121 N -3.05 3.50 0.77 2.53 1.43 -0.41 -4.80 118.68 118.67 1g79 s LEU 121 Ca 0.65 1.17 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 1g79 s LEU 121 Cb -0.35 -4.15 0.06 0.00 0.03 0.00 0.00 46.19 41.78 1g79 s LEU 121 CO 0.43 -0.67 1.15 -0.94 0.23 0.00 0.00 176.35 176.55 1g79 s SER 122 N -3.97 4.79 0.23 2.29 1.04 -1.26 -4.79 113.70 112.02 1g79 s SER 122 Ca 0.51 0.86 -0.08 0.00 0.48 0.00 0.00 55.95 57.73 1g79 s SER 122 Cb -0.11 -1.45 0.20 0.00 0.10 0.00 0.00 66.02 64.76 1g79 s SER 122 CO 0.46 -1.73 1.88 0.74 0.98 0.00 0.00 173.24 175.57 1g79 h THR 123 N -0.91 1.24 -0.20 2.02 2.02 -1.99 -2.16 112.91 112.93 1g79 h THR 123 Ca -0.46 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.25 1g79 h THR 123 Cb 1.31 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1g79 h THR 123 CO 0.65 0.25 0.02 0.25 0.37 0.00 0.00 175.52 177.06 1g79 h LEU 124 N 1.20 -0.03 -0.10 2.58 5.85 -1.99 0.84 115.31 123.66 1g79 h LEU 124 Ca 0.31 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1g79 h LEU 124 Cb -0.06 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1g79 h LEU 124 CO -0.06 0.01 0.05 -0.33 -0.34 0.00 0.00 178.44 177.78 1g79 h GLU 125 N 0.09 0.14 -0.62 1.25 5.08 -1.90 -1.85 114.58 116.77 1g79 h GLU 125 Ca 0.09 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1g79 h GLU 125 Cb 0.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1g79 h GLU 125 CO -0.13 0.17 0.40 0.28 -1.00 0.00 0.00 179.01 178.73 1g79 h VAL 126 N 0.07 1.13 -0.26 3.13 2.07 -1.06 -1.84 116.25 119.48 1g79 h VAL 126 Ca 0.04 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1g79 h VAL 126 Cb 0.07 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1g79 h VAL 126 CO -0.01 0.15 0.15 0.24 0.02 0.00 0.00 177.57 178.12 1g79 h MET 127 N 0.81 0.35 -0.39 1.57 2.86 -0.75 0.20 114.93 119.58 1g79 h MET 127 Ca 0.24 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 1g79 h MET 127 Cb -0.05 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.47 1g79 h MET 127 CO -0.07 0.30 -0.07 -0.22 1.06 0.00 0.00 176.91 177.91 1g79 h LYS 128 N 0.31 0.03 -0.09 1.72 3.64 -0.97 -2.48 116.57 118.72 1g79 h LYS 128 Ca 0.09 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1g79 h LYS 128 Cb 0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1g79 h LYS 128 CO -0.02 0.02 -0.20 -0.92 -2.27 0.00 0.00 179.45 176.07 1g79 h TYR 129 N 0.03 0.38 -0.10 1.91 5.03 -1.04 -3.24 116.97 119.93 1g79 h TYR 129 Ca 0.19 -0.14 0.03 0.00 2.58 0.00 0.00 58.73 61.40 1g79 h TYR 129 Cb 0.28 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.43 1g79 h TYR 129 CO -0.32 0.80 -0.48 0.35 -1.32 0.00 0.00 178.16 177.19 1g79 h PHE 130 N -0.16 -1.40 0.00 -3.82 3.57 -0.44 0.19 116.94 114.88 1g79 h PHE 130 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1g79 h PHE 130 Cb 0.79 0.63 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1g79 h PHE 130 CO 0.11 -0.52 0.00 0.72 -2.23 0.00 0.00 178.31 176.39 1g79 n HIS 131 N -5.44 0.00 -2.86 0.41 8.25 -0.95 -3.30 115.22 111.33 1g79 n HIS 131 Ca -0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.02 1g79 n HIS 131 Cb 0.38 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1g79 n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1g79 n SER 132 N -1.20 6.42 -3.61 0.41 2.88 0.67 -4.96 113.62 114.22 1g79 n SER 132 Ca 0.06 -3.59 -0.04 0.00 -1.33 0.00 0.00 58.87 53.97 1g79 n SER 132 Cb 0.06 -1.08 -0.03 0.00 -0.75 0.00 0.00 64.21 62.42 1g79 n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g79 s ARG 133 N -3.60 0.22 -0.11 -1.46 1.70 -1.21 -4.93 118.95 109.57 1g79 s ARG 133 Ca 0.38 -0.06 -0.30 0.00 -0.47 0.00 0.00 55.73 55.29 1g79 s ARG 133 Cb 0.15 0.10 -0.14 0.00 -0.57 0.00 0.00 34.95 34.50 1g79 s ARG 133 CO -0.05 -0.09 0.87 -2.30 -1.08 0.00 0.00 175.30 172.65 1g79 n PRO 134 N 0.08 0.00 -0.27 3.89 -0.02 -1.26 -4.69 135.00 132.72 1g79 n PRO 134 Ca 0.01 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.53 1g79 n PRO 134 Cb 0.58 -1.06 0.18 0.00 -0.02 0.00 0.00 33.50 33.18 1g79 n PRO 134 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1g79 h ARG 135 N 2.55 0.59 0.00 -0.52 2.43 -1.96 0.17 114.38 117.63 1g79 h ARG 135 Ca -0.34 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.76 1g79 h ARG 135 Cb 1.00 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1g79 h ARG 135 CO 0.53 0.39 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.82 1g79 h ASP 136 N 0.61 0.00 -0.06 -3.80 3.32 -2.00 -1.65 116.42 112.85 1g79 h ASP 136 Ca 0.41 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.25 1g79 h ASP 136 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1g79 h ASP 136 CO -0.33 0.12 -0.73 0.28 -1.72 0.00 0.00 179.24 176.86 1g79 h SER 137 N 0.00 0.82 -0.49 6.45 0.02 -1.03 -0.82 113.55 118.50 1g79 h SER 137 Ca -0.00 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1g79 h SER 137 Cb 0.23 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1g79 h SER 137 CO 0.02 1.30 0.32 1.56 -1.14 0.00 0.00 176.83 178.89 1g79 h GLN 138 N 0.49 0.62 -0.69 3.45 4.20 -0.44 -1.08 115.11 121.67 1g79 h GLN 138 Ca -0.04 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1g79 h GLN 138 Cb 1.34 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 1g79 h GLN 138 CO 0.15 0.41 0.16 0.82 -0.67 0.00 0.00 178.83 179.70 1g79 h ILE 139 N 0.64 1.26 -0.23 2.54 2.04 -1.30 -2.54 117.51 119.92 1g79 h ILE 139 Ca 0.18 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1g79 h ILE 139 Cb -0.05 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1g79 h ILE 139 CO -0.05 0.37 0.08 1.23 0.00 0.00 0.00 178.15 179.78 1g79 h GLY 140 N 1.05 0.34 1.58 5.37 0.00 -0.57 -1.58 103.07 109.27 1g79 h GLY 140 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1g79 h GLY 140 CO 0.00 0.14 0.27 0.00 0.00 0.00 0.00 176.54 176.95 1g79 h ALA 141 N 1.77 1.68 -0.08 3.60 0.00 -0.77 -1.95 119.26 123.51 1g79 h ALA 141 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1g79 h ALA 141 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1g79 h ALA 141 CO -0.01 0.29 -0.61 -1.49 0.00 0.00 0.00 179.25 177.44 1g79 h TRP 142 N 0.57 0.35 -0.10 0.00 4.06 -1.29 -3.35 115.95 116.19 1g79 h TRP 142 Ca 0.15 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 1g79 h TRP 142 Cb -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 28.05 1g79 h TRP 142 CO 0.00 0.81 -0.05 0.28 -3.56 0.00 0.00 178.44 175.91 1g79 h VAL 143 N 0.20 1.32 -3.60 1.49 2.07 -1.16 -3.45 116.25 113.13 1g79 h VAL 143 Ca -0.01 -1.09 -0.63 0.00 0.82 0.00 0.00 66.70 65.79 1g79 h VAL 143 Cb 1.12 1.83 -0.14 0.00 -1.52 0.00 0.00 31.29 32.58 1g79 h VAL 143 CO 0.10 0.31 -0.03 -0.55 0.02 0.00 0.00 177.57 177.41 1g79 s SER 144 N -5.87 6.36 -1.45 0.57 0.15 -1.13 -4.93 113.70 107.40 1g79 s SER 144 Ca -0.15 0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.57 1g79 s SER 144 Cb 0.04 -2.27 0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1g79 s SER 144 CO 0.72 -0.41 2.34 1.17 1.20 0.00 0.00 173.24 178.25 1g79 n LYS 145 N 5.68 3.33 -0.82 5.44 4.81 -1.26 -4.94 118.16 130.42 1g79 n LYS 145 Ca -0.04 -2.76 -0.32 0.00 -0.87 0.00 0.00 58.31 54.32 1g79 n LYS 145 Cb 0.49 -3.06 -0.05 0.00 0.02 0.00 0.00 35.03 32.44 1g79 n LYS 145 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1g79 n GLN 146 N 4.74 0.00 0.00 1.64 7.27 -1.26 -1.85 117.38 127.93 1g79 n GLN 146 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.63 1g79 n GLN 146 Cb 0.34 -0.74 0.00 0.00 2.41 0.00 0.00 30.24 32.25 1g79 n GLN 146 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1g79 n SER 147 N 1.50 0.00 -4.82 1.69 7.64 -1.26 -3.81 113.62 114.56 1g79 n SER 147 Ca 0.13 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 1g79 n SER 147 Cb -0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1g79 n SER 147 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1g79 s SER 148 N -1.97 6.93 0.15 6.43 1.04 -0.77 -4.91 113.70 120.60 1g79 s SER 148 Ca 0.00 1.71 -0.31 0.00 0.48 0.00 0.00 55.95 57.83 1g79 s SER 148 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 1g79 s SER 148 CO 0.00 -0.37 1.40 -0.13 0.98 0.00 0.00 173.24 175.12 1g79 s ARG 149 N -3.14 4.32 0.13 4.02 0.52 -1.26 -5.00 118.95 118.54 1g79 s ARG 149 Ca 0.62 2.12 0.09 0.00 -0.52 0.00 0.00 55.73 58.04 1g79 s ARG 149 Cb -0.10 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 1g79 s ARG 149 CO 0.14 -0.42 -0.22 0.96 0.02 0.00 0.00 175.30 175.78 1g79 s ILE 150 N 0.82 1.92 -0.54 1.52 -4.36 -1.26 -5.06 121.20 114.25 1g79 s ILE 150 Ca 0.63 -1.70 0.24 0.00 -0.26 0.00 0.00 60.65 59.56 1g79 s ILE 150 Cb -0.38 -1.76 0.23 0.00 1.25 0.00 0.00 42.46 41.79 1g79 s ILE 150 CO 0.33 -0.07 1.54 0.28 0.24 0.00 0.00 174.94 177.25 1g79 h SER 151 N 3.81 0.00 -4.58 4.36 0.02 -2.05 -3.47 113.55 111.64 1g79 h SER 151 Ca -0.47 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1g79 h SER 151 Cb 1.18 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.52 1g79 h SER 151 CO 0.42 0.02 0.32 0.00 -1.14 0.00 0.00 176.83 176.45 1g79 s ALA 152 N -3.19 -1.83 0.45 3.77 0.00 -1.26 -5.02 121.76 114.68 1g79 s ALA 152 Ca 0.07 1.47 0.14 0.00 0.00 0.00 0.00 51.96 53.64 1g79 s ALA 152 Cb 0.09 -0.36 1.00 0.00 0.00 0.00 0.00 23.12 23.85 1g79 s ALA 152 CO 0.67 -0.34 2.00 -0.09 0.00 0.00 0.00 175.76 178.00 1g79 h ARG 153 N 3.01 0.04 -0.91 0.00 2.43 -2.03 -2.88 114.38 114.04 1g79 h ARG 153 Ca -0.24 -0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.14 1g79 h ARG 153 Cb 1.15 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 1g79 h ARG 153 CO 0.33 0.19 0.61 0.78 -1.51 0.00 0.00 179.97 180.38 1g79 h GLY 154 N 0.52 0.71 0.80 2.80 0.00 -2.00 -0.39 103.07 105.51 1g79 h GLY 154 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.24 1g79 h GLY 154 CO 0.02 -0.02 0.48 -2.22 0.00 0.00 0.00 176.54 174.80 1g79 h ILE 155 N 0.31 1.07 0.22 2.60 2.04 -1.94 -0.34 117.51 121.48 1g79 h ILE 155 Ca 0.47 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1g79 h ILE 155 Cb 1.32 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1g79 h ILE 155 CO -0.15 0.17 -0.11 -0.07 0.00 0.00 0.00 178.15 177.99 1g79 h LEU 156 N 0.91 -0.25 -1.09 1.44 3.38 -1.25 -2.53 115.31 115.91 1g79 h LEU 156 Ca 0.33 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1g79 h LEU 156 Cb 0.09 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1g79 h LEU 156 CO -0.14 0.02 0.51 -0.33 0.09 0.00 0.00 178.44 178.59 1g79 h GLU 157 N -0.53 1.13 0.04 1.13 5.08 -1.37 -1.04 114.58 119.03 1g79 h GLU 157 Ca -0.03 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1g79 h GLU 157 Cb 0.39 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1g79 h GLU 157 CO 0.05 0.79 -0.02 0.77 -1.00 0.00 0.00 179.01 179.60 1g79 h SER 158 N 1.16 -0.05 -0.77 1.42 0.02 -1.05 -2.39 113.55 111.89 1g79 h SER 158 Ca 0.30 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1g79 h SER 158 Cb -0.06 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1g79 h SER 158 CO -0.06 0.09 0.43 0.11 -1.14 0.00 0.00 176.83 176.26 1g79 h LYS 159 N -0.19 1.06 -0.38 3.45 1.79 -1.26 -0.85 116.57 120.20 1g79 h LYS 159 Ca -0.01 -0.12 0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1g79 h LYS 159 Cb 0.17 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1g79 h LYS 159 CO 0.01 0.78 0.15 0.35 -1.08 0.00 0.00 179.45 179.65 1g79 h PHE 160 N 1.06 0.26 -0.22 -1.35 3.57 -1.05 0.11 116.94 119.33 1g79 h PHE 160 Ca 0.27 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1g79 h PHE 160 Cb 0.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1g79 h PHE 160 CO -0.00 0.11 0.09 -0.07 -2.23 0.00 0.00 178.31 176.21 1g79 h LEU 161 N 0.31 0.30 -0.63 0.59 3.38 -1.12 0.28 115.31 118.42 1g79 h LEU 161 Ca 0.17 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1g79 h LEU 161 Cb 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1g79 h LEU 161 CO -0.16 0.38 0.34 -0.08 0.09 0.00 0.00 178.44 179.01 1g79 h GLU 162 N 0.20 0.62 0.05 1.13 4.81 -0.62 -2.49 114.58 118.29 1g79 h GLU 162 Ca 0.07 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.03 1g79 h GLU 162 Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1g79 h GLU 162 CO -0.01 0.41 -1.05 -0.07 -0.73 0.00 0.00 179.01 177.56 1g79 h LEU 163 N 0.64 0.33 -1.90 1.64 3.38 -0.68 -2.93 115.31 115.78 1g79 h LEU 163 Ca 0.28 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1g79 h LEU 163 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1g79 h LEU 163 CO -0.18 1.18 0.42 0.50 0.09 0.00 0.00 178.44 180.45 1g79 h LYS 164 N 0.09 0.00 -0.00 1.13 1.63 0.03 -0.14 116.57 119.31 1g79 h LYS 164 Ca -0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1g79 h LYS 164 Cb 1.75 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 1g79 h LYS 164 CO 0.17 0.00 -0.07 0.00 -3.45 0.00 0.00 179.45 176.09 1g79 n GLN 165 N -3.24 4.42 0.09 1.90 -0.00 -1.17 -3.76 117.38 115.62 1g79 n GLN 165 Ca 0.03 -0.17 -0.13 0.00 -0.00 0.00 0.00 57.00 56.72 1g79 n GLN 165 Cb 0.52 -0.72 -0.07 0.00 -0.00 0.00 0.00 30.24 29.97 1g79 n GLN 165 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1g79 h LYS 166 N 0.13 0.30 0.00 2.61 3.64 -0.86 -3.23 116.57 119.16 1g79 h LYS 166 Ca 0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1g79 h LYS 166 Cb 0.06 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1g79 h LYS 166 CO 0.00 1.11 -1.23 1.19 -2.27 0.00 0.00 179.45 178.25 1g79 n PHE 167 N -3.63 0.28 0.00 1.91 0.99 -0.75 -4.73 117.46 111.53 1g79 n PHE 167 Ca -0.06 0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1g79 n PHE 167 Cb 0.90 -0.49 0.00 0.00 -1.00 0.00 0.00 39.48 38.90 1g79 n PHE 167 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1g79 n GLN 168 N -2.08 0.00 -3.03 -1.08 7.27 -1.22 -2.78 117.38 114.46 1g79 n GLN 168 Ca 0.01 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.74 1g79 n GLN 168 Cb 0.47 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.09 1g79 n GLN 168 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g79 n GLN 169 N -3.57 3.81 0.00 3.69 10.64 -1.26 -4.90 117.38 125.78 1g79 n GLN 169 Ca 0.00 -4.70 0.00 0.00 -1.83 0.00 0.00 57.00 50.47 1g79 n GLN 169 Cb 0.00 -2.36 0.00 0.00 -0.86 0.00 0.00 30.24 27.02 1g79 n GLN 169 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1g79 n GLY 170 N 0.47 -2.13 3.64 2.61 0.00 -1.12 -5.14 105.19 103.52 1g79 n GLY 170 Ca 0.33 0.82 -0.04 0.00 0.00 0.00 0.00 46.02 47.13 1g79 n GLY 170 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g79 s GLU 171 N 0.44 0.28 0.06 1.61 2.12 -1.26 -5.14 118.70 116.81 1g79 s GLU 171 Ca 0.00 0.40 -0.31 0.00 0.36 0.00 0.00 54.97 55.42 1g79 s GLU 171 Cb 0.00 0.10 -0.07 0.00 0.26 0.00 0.00 34.13 34.42 1g79 s GLU 171 CO 0.00 -0.04 1.52 0.08 -0.54 0.00 0.00 175.26 176.28 1g79 s VAL 172 N 0.62 3.28 0.55 3.70 1.01 -1.26 -4.98 120.40 123.33 1g79 s VAL 172 Ca -0.01 0.76 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 1g79 s VAL 172 Cb -0.04 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1g79 s VAL 172 CO -0.12 0.01 1.15 -2.84 0.00 0.00 0.00 175.10 173.31 1g79 s PRO 173 N 2.24 3.26 -0.13 2.72 0.02 -1.26 -4.97 135.00 136.89 1g79 s PRO 173 Ca 0.69 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 1g79 s PRO 173 Cb -0.37 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.13 1g79 s PRO 173 CO 0.30 -0.94 1.22 -1.17 -0.33 0.00 0.00 177.00 176.08 1g79 s LEU 174 N -3.84 4.21 0.32 -5.54 2.96 -1.26 -4.99 118.68 110.55 1g79 s LEU 174 Ca 0.74 1.71 -0.29 0.00 -0.22 0.00 0.00 54.13 56.07 1g79 s LEU 174 Cb -0.26 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.78 1g79 s LEU 174 CO 0.29 -0.68 1.31 -2.84 -1.32 0.00 0.00 176.35 173.11 1g79 s PRO 175 N 2.97 4.35 0.49 0.98 0.02 -1.26 -4.89 135.00 137.67 1g79 s PRO 175 Ca 0.54 2.21 0.20 0.00 0.02 0.00 0.00 61.00 63.98 1g79 s PRO 175 Cb -0.22 -3.08 1.26 0.00 0.02 0.00 0.00 34.50 32.48 1g79 s PRO 175 CO 0.17 -0.20 2.06 0.66 -0.33 0.00 0.00 177.00 179.36 1g79 h SER 176 N 3.54 0.00 -0.24 2.53 4.64 -2.01 -2.47 113.55 119.54 1g79 h SER 176 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1g79 h SER 176 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1g79 h SER 176 CO 0.66 0.13 0.00 2.22 -0.87 0.00 0.00 176.83 178.97 1g79 n PHE 177 N -4.08 0.79 -5.06 4.77 1.16 -1.26 -4.84 117.46 108.94 1g79 n PHE 177 Ca -0.02 -0.28 -0.32 0.00 -1.87 0.00 0.00 57.45 54.95 1g79 n PHE 177 Cb 0.21 -0.24 -0.15 0.00 -1.61 0.00 0.00 39.48 37.69 1g79 n PHE 177 CO 0.00 0.00 0.00 -0.46 -1.87 0.00 0.00 176.76 174.43 1g79 s TRP 178 N -1.70 2.58 0.00 2.97 -0.00 -0.93 -0.19 118.94 121.66 1g79 s TRP 178 Ca 0.22 -0.44 0.00 0.00 -0.00 0.00 0.00 56.10 55.88 1g79 s TRP 178 Cb 0.16 -1.63 0.00 0.00 -0.00 0.00 0.00 33.47 32.00 1g79 s TRP 178 CO 0.07 -0.03 0.00 0.41 -0.00 0.00 0.00 176.95 177.40 1g79 n GLY 179 N 2.69 3.14 3.83 5.86 0.00 -0.64 -4.86 105.19 115.21 1g79 n GLY 179 Ca -0.17 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 1g79 n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g79 s GLY 180 N -0.02 -0.02 0.05 -0.02 0.00 -1.26 -0.99 107.32 105.06 1g79 s GLY 180 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1g79 s GLY 180 CO 0.00 0.05 -0.07 -1.36 0.00 0.00 0.00 173.10 171.72 1g79 s PHE 181 N -3.35 0.66 -0.16 1.90 0.40 -0.42 -1.29 117.98 115.72 1g79 s PHE 181 Ca 0.13 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1g79 s PHE 181 Cb -0.05 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.10 1g79 s PHE 181 CO 0.07 -0.10 -0.19 0.50 0.70 0.00 0.00 175.22 176.19 1g79 s ARG 182 N -1.86 3.06 -0.27 0.44 3.52 0.33 -2.10 118.95 122.08 1g79 s ARG 182 Ca -0.08 -0.81 -0.14 0.00 -0.13 0.00 0.00 55.73 54.56 1g79 s ARG 182 Cb -0.08 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 1g79 s ARG 182 CO -0.00 -0.10 0.35 0.08 -0.81 0.00 0.00 175.30 174.82 1g79 s VAL 183 N 1.05 5.19 0.74 7.11 1.01 0.93 -0.94 120.40 135.49 1g79 s VAL 183 Ca -0.01 0.53 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1g79 s VAL 183 Cb -0.14 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1g79 s VAL 183 CO -0.06 0.18 1.13 -0.94 0.00 0.00 0.00 175.10 175.41 1g79 s SER 184 N 1.60 4.40 -0.95 3.32 1.04 -0.35 -0.76 113.70 122.00 1g79 s SER 184 Ca 0.14 2.06 -0.13 0.00 0.48 0.00 0.00 55.95 58.50 1g79 s SER 184 Cb -0.16 -2.55 0.22 0.00 0.10 0.00 0.00 66.02 63.63 1g79 s SER 184 CO 0.10 -2.11 0.97 -0.76 0.98 0.00 0.00 173.24 172.41 1g79 s LEU 185 N -5.48 6.26 -0.08 2.42 1.43 -1.26 -3.65 118.68 118.31 1g79 s LEU 185 Ca 0.67 -2.86 -0.00 0.00 -1.03 0.00 0.00 54.13 50.91 1g79 s LEU 185 Cb -0.22 -2.25 -0.25 0.00 0.03 0.00 0.00 46.19 43.49 1g79 s LEU 185 CO 0.49 -0.59 0.50 -0.33 0.23 0.00 0.00 176.35 176.66 1g79 h GLU 186 N 7.60 0.18 -3.08 1.70 5.08 -1.42 -3.44 114.58 121.20 1g79 h GLU 186 Ca 0.15 -0.32 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 1g79 h GLU 186 Cb 0.98 0.12 -0.24 0.00 0.50 0.00 0.00 28.75 30.11 1g79 h GLU 186 CO 0.91 0.98 -0.38 -0.65 -1.00 0.00 0.00 179.01 178.88 1g79 s GLN 187 N -2.58 0.39 -0.06 2.33 -0.21 -0.86 -1.21 119.66 117.47 1g79 s GLN 187 Ca -0.16 0.25 -0.01 0.00 0.02 0.00 0.00 55.36 55.47 1g79 s GLN 187 Cb 0.07 0.18 0.03 0.00 1.00 0.00 0.00 33.01 34.29 1g79 s GLN 187 CO 0.80 -0.07 0.00 0.42 -2.12 0.00 0.00 175.29 174.32 1g79 s ILE 188 N -0.18 0.31 -0.10 1.08 1.01 -0.42 -0.74 121.20 122.17 1g79 s ILE 188 Ca -0.03 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1g79 s ILE 188 Cb -0.03 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 1g79 s ILE 188 CO 0.01 0.23 -0.13 -0.70 0.00 0.00 0.00 174.94 174.34 1g79 s GLU 189 N 1.68 3.10 -0.09 2.79 2.12 0.11 -0.39 118.70 128.01 1g79 s GLU 189 Ca 0.00 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1g79 s GLU 189 Cb -0.13 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 1g79 s GLU 189 CO -0.04 0.35 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.89 1g79 s PHE 190 N -0.01 2.89 -0.04 5.30 0.40 -0.27 -1.00 117.98 125.26 1g79 s PHE 190 Ca -0.04 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1g79 s PHE 190 Cb -0.14 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1g79 s PHE 190 CO 0.04 0.14 -0.11 -0.46 0.70 0.00 0.00 175.22 175.52 1g79 s TRP 191 N -0.36 1.20 -0.04 0.36 -0.00 -0.25 -1.63 118.94 118.22 1g79 s TRP 191 Ca 0.05 -0.34 -0.01 0.00 -0.00 0.00 0.00 56.10 55.80 1g79 s TRP 191 Cb -0.12 -0.85 0.03 0.00 -0.00 0.00 0.00 33.47 32.52 1g79 s TRP 191 CO 0.02 -0.15 0.03 -1.14 -0.00 0.00 0.00 176.95 175.72 1g79 s GLN 192 N 0.26 0.12 0.26 5.86 0.74 -0.21 -1.64 119.66 125.05 1g79 s GLN 192 Ca -0.05 0.22 -0.27 0.00 0.05 0.00 0.00 55.36 55.30 1g79 s GLN 192 Cb -0.11 -0.49 -0.16 0.00 1.10 0.00 0.00 33.01 33.36 1g79 s GLN 192 CO 0.01 -0.23 0.64 0.41 -0.55 0.00 0.00 175.29 175.57 1g79 n GLY 193 N 4.68 -1.34 2.95 2.59 0.00 0.11 -1.37 105.19 112.80 1g79 n GLY 193 Ca -0.16 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1g79 n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g79 s GLY 194 N -0.86 0.19 0.94 -0.02 0.00 -1.26 -4.65 107.32 101.65 1g79 s GLY 194 Ca 0.62 -0.33 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 1g79 s GLY 194 CO 0.58 -0.35 -0.50 -2.21 0.00 0.00 0.00 173.10 170.62 1g79 n GLU 195 N 2.38 -0.04 -0.82 2.90 2.13 -1.26 -1.86 120.64 124.07 1g79 n GLU 195 Ca -0.17 -0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.61 1g79 n GLU 195 Cb 0.57 -1.17 -0.02 0.00 0.27 0.00 0.00 31.44 31.09 1g79 n GLU 195 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1g79 n HIS 196 N -2.59 -0.42 -0.97 4.31 8.25 -1.26 0.04 115.22 122.58 1g79 n HIS 196 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1g79 n HIS 196 Cb 0.55 -1.42 0.00 0.00 1.12 0.00 0.00 29.99 30.24 1g79 n HIS 196 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1g79 n ARG 197 N -0.73 0.00 -3.45 -0.41 3.00 -0.78 -4.97 116.66 109.32 1g79 n ARG 197 Ca -0.04 0.14 -0.43 0.00 -0.00 0.00 0.00 57.85 57.53 1g79 n ARG 197 Cb 0.18 -3.19 -0.03 0.00 0.00 0.00 0.00 32.46 29.42 1g79 n ARG 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1g79 s LEU 198 N 0.00 6.15 0.63 6.15 1.43 0.11 -4.92 118.68 128.23 1g79 s LEU 198 Ca 0.00 -3.24 -0.10 0.00 -1.03 0.00 0.00 54.13 49.76 1g79 s LEU 198 Cb 0.00 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1g79 s LEU 198 CO 0.00 -0.36 1.02 -1.00 0.23 0.00 0.00 176.35 176.23 1g79 s HIS 199 N -0.67 3.48 -0.19 0.29 3.76 -1.26 -4.17 115.29 116.53 1g79 s HIS 199 Ca 0.24 1.10 -0.16 0.00 -0.15 0.00 0.00 55.06 56.09 1g79 s HIS 199 Cb -0.11 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 1g79 s HIS 199 CO -0.09 -0.83 0.40 -0.51 -0.85 0.00 0.00 174.74 172.86 1g79 s ASP 200 N -4.25 6.46 -0.05 1.40 1.01 -0.47 -4.44 116.67 116.33 1g79 s ASP 200 Ca 0.55 0.55 0.01 0.00 0.71 0.00 0.00 52.55 54.37 1g79 s ASP 200 Cb -0.11 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1g79 s ASP 200 CO 0.52 -0.06 -0.06 -0.13 0.21 0.00 0.00 175.17 175.64 1g79 s ARG 201 N 1.21 1.06 -0.06 8.23 0.52 -1.26 -1.04 118.95 127.60 1g79 s ARG 201 Ca 0.20 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 1g79 s ARG 201 Cb -0.15 -0.99 0.02 0.00 0.52 0.00 0.00 34.95 34.35 1g79 s ARG 201 CO 0.08 -0.06 -0.06 -0.06 0.02 0.00 0.00 175.30 175.22 1g79 s PHE 202 N 0.87 1.00 -0.25 -0.53 0.40 -0.65 -0.95 117.98 117.87 1g79 s PHE 202 Ca -0.12 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1g79 s PHE 202 Cb -0.15 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 1g79 s PHE 202 CO 0.01 -0.26 0.05 -1.17 0.70 0.00 0.00 175.22 174.55 1g79 s LEU 203 N 1.02 3.40 -0.21 -0.37 2.96 0.14 -1.11 118.68 124.51 1g79 s LEU 203 Ca -0.09 -0.31 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 1g79 s LEU 203 Cb -0.14 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 1g79 s LEU 203 CO -0.00 -0.06 0.36 -0.31 -1.32 0.00 0.00 176.35 175.02 1g79 s TYR 204 N 1.58 3.36 -0.16 5.38 1.51 0.47 -1.88 117.35 127.61 1g79 s TYR 204 Ca 0.06 0.54 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 1g79 s TYR 204 Cb -0.15 -2.49 0.02 0.00 -0.11 0.00 0.00 41.96 39.23 1g79 s TYR 204 CO 0.02 -0.01 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.12 1g79 s GLN 205 N 1.31 2.78 0.08 -0.62 0.74 0.89 -1.30 119.66 123.55 1g79 s GLN 205 Ca 0.17 -0.75 -0.31 0.00 0.05 0.00 0.00 55.36 54.52 1g79 s GLN 205 Cb -0.15 -2.37 -0.07 0.00 1.10 0.00 0.00 33.01 31.52 1g79 s GLN 205 CO 0.07 -0.15 1.43 0.50 -0.55 0.00 0.00 175.29 176.60 1g79 s ARG 206 N 1.17 4.29 -0.22 1.67 6.06 -0.35 -0.52 118.95 131.06 1g79 s ARG 206 Ca 0.01 2.09 -0.12 0.00 -2.50 0.00 0.00 55.73 55.21 1g79 s ARG 206 Cb -0.14 -3.36 0.07 0.00 0.06 0.00 0.00 34.95 31.58 1g79 s ARG 206 CO -0.08 -0.51 0.53 -1.21 -2.50 0.00 0.00 175.30 171.52 1g79 s GLU 207 N 1.60 0.53 -1.29 5.12 2.02 0.27 -4.92 118.70 122.02 1g79 s GLU 207 Ca 0.66 1.00 -0.17 0.00 0.02 0.00 0.00 54.97 56.47 1g79 s GLU 207 Cb -0.36 0.08 0.01 0.00 0.10 0.00 0.00 34.13 33.96 1g79 s GLU 207 CO 0.30 -0.16 0.54 0.09 0.02 0.00 0.00 175.26 176.05 1g79 n ASN 208 N 4.36 -2.75 -2.35 -0.19 3.02 -1.26 -0.09 115.26 116.00 1g79 n ASN 208 Ca -0.21 -1.15 -0.18 0.00 -0.03 0.00 0.00 54.58 53.00 1g79 n ASN 208 Cb 0.56 -2.44 -0.01 0.00 -0.61 0.00 0.00 39.78 37.28 1g79 n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g79 n ASP 209 N -2.61 -5.22 -3.71 6.41 10.43 -1.26 -4.93 116.55 115.66 1g79 n ASP 209 Ca -0.19 0.08 -0.10 0.00 2.57 0.00 0.00 54.79 57.16 1g79 n ASP 209 Cb 0.62 -4.39 -0.04 0.00 1.84 0.00 0.00 41.12 39.15 1g79 n ASP 209 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g79 s ALA 210 N -2.88 -0.22 -0.17 2.24 0.00 0.87 -5.16 121.76 116.45 1g79 s ALA 210 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 1g79 s ALA 210 Cb 0.00 1.02 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 1g79 s ALA 210 CO 0.00 -0.88 -0.06 -1.58 0.00 0.00 0.00 175.76 173.24 1g79 s TRP 211 N -3.62 2.94 -0.22 0.00 0.52 -1.26 0.94 118.94 118.24 1g79 s TRP 211 Ca 0.22 -0.61 -0.10 0.00 0.02 0.00 0.00 56.10 55.63 1g79 s TRP 211 Cb -0.02 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 1g79 s TRP 211 CO 0.11 -0.26 0.13 0.21 0.02 0.00 0.00 176.95 177.16 1g79 s LYS 212 N 0.76 4.07 -0.17 4.98 2.20 0.33 -4.87 119.74 127.04 1g79 s LYS 212 Ca -0.03 -0.28 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1g79 s LYS 212 Cb -0.15 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1g79 s LYS 212 CO 0.02 0.15 -0.01 0.42 -0.36 0.00 0.00 175.35 175.57 1g79 s ILE 213 N 0.78 4.10 0.00 5.43 1.01 -1.26 -0.08 121.20 131.19 1g79 s ILE 213 Ca 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1g79 s ILE 213 Cb -0.13 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.52 1g79 s ILE 213 CO 0.02 0.48 -0.07 -1.81 0.00 0.00 0.00 174.94 173.56 1g79 s ASP 214 N 0.43 0.84 0.27 3.58 1.01 -0.79 -4.98 116.67 117.03 1g79 s ASP 214 Ca -0.02 -0.18 -0.22 0.00 0.71 0.00 0.00 52.55 52.84 1g79 s ASP 214 Cb -0.14 -0.08 -0.09 0.00 1.01 0.00 0.00 42.92 43.63 1g79 s ASP 214 CO 0.02 0.05 0.81 -0.60 0.21 0.00 0.00 175.17 175.66 1g79 s ARG 215 N -0.35 4.36 -0.02 8.23 3.52 -1.26 -0.68 118.95 132.76 1g79 s ARG 215 Ca 0.01 1.03 0.07 0.00 -0.13 0.00 0.00 55.73 56.72 1g79 s ARG 215 Cb -0.04 -2.82 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1g79 s ARG 215 CO -0.00 0.33 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.08 1g79 s LEU 216 N -2.07 2.19 0.32 -0.88 1.43 -0.12 -4.92 118.68 114.63 1g79 s LEU 216 Ca 0.46 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 1g79 s LEU 216 Cb -0.17 -1.38 -0.11 0.00 0.03 0.00 0.00 46.19 44.57 1g79 s LEU 216 CO 0.22 0.32 1.41 0.00 0.23 0.00 0.00 176.35 178.53 1g79 s ALA 217 N -0.66 3.57 -2.00 4.21 0.00 -1.26 -4.16 121.76 121.46 1g79 s ALA 217 Ca 0.11 1.39 0.19 0.00 0.00 0.00 0.00 51.96 53.65 1g79 s ALA 217 Cb -0.10 -3.55 1.15 0.00 0.00 0.00 0.00 23.12 20.62 1g79 s ALA 217 CO -0.00 -0.81 1.54 -0.35 0.00 0.00 0.00 175.76 176.14