#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g78 n GLY 21 N 0.00 1.56 2.75 -0.02 0.00 -1.26 -5.01 105.19 103.20 1g78 n GLY 21 Ca 0.00 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 1g78 n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g78 s LEU 22 N 0.00 1.57 -0.05 0.99 2.96 -1.26 -5.12 118.68 117.77 1g78 s LEU 22 Ca 0.00 -1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 52.81 1g78 s LEU 22 Cb 0.00 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 1g78 s LEU 22 CO 0.00 -0.33 0.05 -0.13 -1.32 0.00 0.00 176.35 174.62 1g78 s ARG 23 N 1.76 3.06 0.23 1.98 1.81 -1.26 -4.94 118.95 121.59 1g78 s ARG 23 Ca 0.02 -0.41 -0.06 0.00 -1.72 0.00 0.00 55.73 53.55 1g78 s ARG 23 Cb -0.17 -2.86 0.41 0.00 -0.45 0.00 0.00 34.95 31.87 1g78 s ARG 23 CO -0.13 0.69 1.72 -0.09 -0.68 0.00 0.00 175.30 176.81 1g78 h ARG 24 N 4.69 0.39 0.00 3.54 2.43 -2.00 -1.00 114.38 122.44 1g78 h ARG 24 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1g78 h ARG 24 Cb 1.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1g78 h ARG 24 CO 0.58 0.26 0.17 0.07 -1.51 0.00 0.00 179.97 179.54 1g78 h ARG 25 N 0.40 0.00 -0.41 0.20 0.11 -2.04 -0.12 114.38 112.52 1g78 h ARG 25 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 1g78 h ARG 25 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 1g78 h ARG 25 CO -0.40 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 179.42 1g78 n ASP 26 N -2.41 3.47 -4.76 0.08 8.00 -0.38 -4.99 116.55 115.56 1g78 n ASP 26 Ca -0.02 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 1g78 n ASP 26 Cb 0.21 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 1g78 n ASP 26 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1g78 s LEU 27 N -1.42 4.59 0.59 0.64 1.02 -0.06 -5.02 118.68 119.02 1g78 s LEU 27 Ca 0.38 1.70 -0.14 0.00 0.02 0.00 0.00 54.13 56.09 1g78 s LEU 27 Cb 0.22 -3.38 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 1g78 s LEU 27 CO 0.31 0.16 1.03 -2.16 0.02 0.00 0.00 176.35 175.71 1g78 s PRO 28 N -0.96 3.52 0.24 1.29 0.04 -1.26 -4.94 135.00 132.93 1g78 s PRO 28 Ca 0.38 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 1g78 s PRO 28 Cb -0.24 -2.07 0.29 0.00 0.04 0.00 0.00 34.50 32.53 1g78 s PRO 28 CO 0.27 -0.63 1.69 0.00 0.04 0.00 0.00 177.00 178.37 1g78 h ALA 29 N 0.29 1.00 -2.71 8.56 0.00 -2.00 -3.40 119.26 121.00 1g78 h ALA 29 Ca -0.46 -0.33 -0.63 0.00 0.00 0.00 0.00 54.91 53.49 1g78 h ALA 29 Cb 1.20 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.69 1g78 h ALA 29 CO 0.59 0.59 -0.21 0.34 0.00 0.00 0.00 179.25 180.57 1g78 s ASP 30 N -6.74 6.27 0.56 0.00 3.68 -1.26 -4.79 116.67 114.39 1g78 s ASP 30 Ca -0.09 0.32 0.24 0.00 2.13 0.00 0.00 52.55 55.15 1g78 s ASP 30 Cb 0.14 -2.22 1.56 0.00 -1.45 0.00 0.00 42.92 40.95 1g78 s ASP 30 CO 0.82 -0.20 2.16 1.55 0.13 0.00 0.00 175.17 179.63 1g78 h PRO 31 N 8.15 0.00 -0.18 4.34 0.13 -2.00 -1.84 132.00 140.61 1g78 h PRO 31 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1g78 h PRO 31 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1g78 h PRO 31 CO 0.65 0.00 0.04 -0.07 -0.23 0.00 0.00 178.00 178.39 1g78 h LEU 32 N 0.00 0.22 -0.37 1.56 3.38 -1.95 -0.77 115.31 117.38 1g78 h LEU 32 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1g78 h LEU 32 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1g78 h LEU 32 CO -0.00 0.24 0.23 0.74 0.09 0.00 0.00 178.44 179.74 1g78 h THR 33 N 0.25 1.12 -0.39 0.22 2.02 -1.73 0.17 112.91 114.56 1g78 h THR 33 Ca 0.06 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1g78 h THR 33 Cb 0.11 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1g78 h THR 33 CO -0.00 0.12 -0.22 0.25 0.37 0.00 0.00 175.52 176.03 1g78 h LEU 34 N 0.49 0.79 -0.51 2.58 5.85 -1.47 -2.67 115.31 120.38 1g78 h LEU 34 Ca 0.13 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1g78 h LEU 34 Cb -0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1g78 h LEU 34 CO -0.03 0.99 0.14 0.15 -0.34 0.00 0.00 178.44 179.36 1g78 h PHE 35 N 0.68 0.84 -0.68 1.25 3.04 -0.64 -1.73 116.94 119.70 1g78 h PHE 35 Ca 0.09 -0.09 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1g78 h PHE 35 Cb 0.73 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1g78 h PHE 35 CO 0.04 0.73 0.45 1.49 -2.02 0.00 0.00 178.31 179.00 1g78 h GLU 36 N 0.70 0.89 -0.03 1.11 4.81 -0.52 0.21 114.58 121.75 1g78 h GLU 36 Ca 0.16 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1g78 h GLU 36 Cb 0.30 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1g78 h GLU 36 CO -0.00 0.59 0.01 0.00 -0.73 0.00 0.00 179.01 178.88 1g78 h ARG 37 N 0.91 0.04 -0.60 1.92 3.08 -1.28 0.17 114.38 118.62 1g78 h ARG 37 Ca 0.25 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1g78 h ARG 37 Cb -0.10 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1g78 h ARG 37 CO -0.06 0.15 0.27 -1.49 -1.07 0.00 0.00 179.97 177.78 1g78 h TRP 38 N -0.08 0.85 -0.11 3.04 4.06 -1.00 0.54 115.95 123.25 1g78 h TRP 38 Ca 0.01 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1g78 h TRP 38 Cb 0.13 -0.27 -0.00 0.00 -1.00 0.00 0.00 29.16 28.02 1g78 h TRP 38 CO -0.03 0.63 -0.02 1.25 -3.56 0.00 0.00 178.44 176.71 1g78 h LEU 39 N 0.85 0.21 -0.20 -4.49 5.85 -0.30 -0.83 115.31 116.40 1g78 h LEU 39 Ca 0.21 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1g78 h LEU 39 Cb 0.11 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1g78 h LEU 39 CO -0.03 0.52 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.21 1g78 h SER 40 N -0.10 -0.34 -0.04 1.25 0.87 -0.33 -1.10 113.55 113.77 1g78 h SER 40 Ca 0.03 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1g78 h SER 40 Cb 0.43 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1g78 h SER 40 CO 0.01 -0.14 -0.04 1.56 -0.53 0.00 0.00 176.83 177.69 1g78 h GLN 41 N -0.09 0.21 -0.36 2.24 4.20 -0.80 0.99 115.11 121.49 1g78 h GLN 41 Ca 0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1g78 h GLN 41 Cb 0.25 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1g78 h GLN 41 CO -0.25 0.27 0.11 0.00 -0.67 0.00 0.00 178.83 178.29 1g78 h ALA 42 N 1.76 0.48 -0.32 3.87 0.00 0.03 0.23 119.26 125.31 1g78 h ALA 42 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1g78 h ALA 42 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1g78 h ALA 42 CO 0.01 0.12 0.04 0.00 0.00 0.00 0.00 179.25 179.42 1g78 h GLU 44 N 0.36 0.23 -0.20 0.00 4.81 -0.45 0.48 114.58 119.80 1g78 h GLU 44 Ca 0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1g78 h GLU 44 Cb 0.37 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1g78 h GLU 44 CO 0.01 0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.44 1g78 n ALA 45 N -2.57 2.51 -3.90 2.92 0.00 0.78 -4.94 120.51 115.30 1g78 n ALA 45 Ca 0.11 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 1g78 n ALA 45 Cb 0.52 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.92 1g78 n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g78 n LYS 46 N 0.35 -5.16 -1.84 0.00 4.01 0.17 -4.95 118.16 110.73 1g78 n LYS 46 Ca 0.15 0.58 -0.32 0.00 -0.51 0.00 0.00 58.31 58.21 1g78 n LYS 46 Cb 0.32 -5.37 0.03 0.00 -0.51 0.00 0.00 35.03 29.50 1g78 n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1g78 s LEU 47 N -7.17 3.35 0.36 -0.35 1.43 -1.02 -4.96 118.68 110.32 1g78 s LEU 47 Ca 0.53 1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 55.12 1g78 s LEU 47 Cb -0.27 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.34 1g78 s LEU 47 CO 0.84 -1.33 1.26 0.00 0.23 0.00 0.00 176.35 177.35 1g78 s ALA 48 N -2.65 3.37 -0.54 4.21 0.00 -1.26 -3.88 121.76 121.00 1g78 s ALA 48 Ca 0.62 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.75 1g78 s ALA 48 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1g78 s ALA 48 CO 0.44 -0.63 0.39 -0.25 0.00 0.00 0.00 175.76 175.70 1g78 n ASP 49 N 0.53 -3.06 0.22 0.00 8.00 -1.26 -4.75 116.55 116.24 1g78 n ASP 49 Ca 0.02 -0.64 0.16 0.00 0.71 0.00 0.00 54.79 55.03 1g78 n ASP 49 Cb 0.43 -1.02 0.82 0.00 -0.02 0.00 0.00 41.12 41.34 1g78 n ASP 49 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1g78 h PRO 50 N 0.14 0.00 -0.01 -0.24 0.11 -1.92 0.57 132.00 130.66 1g78 h PRO 50 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1g78 h PRO 50 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1g78 h PRO 50 CO 0.24 0.00 -0.04 0.25 -0.21 0.00 0.00 178.00 178.24 1g78 n THR 51 N -3.92 0.00 -1.17 -1.15 -2.24 -1.26 -5.01 114.28 99.53 1g78 n THR 51 Ca 0.00 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 1g78 n THR 51 Cb 0.26 -0.01 0.16 0.00 -2.10 0.00 0.00 70.33 68.64 1g78 n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g78 s ALA 52 N -2.17 1.20 -0.13 6.98 0.00 0.19 -1.34 121.76 126.48 1g78 s ALA 52 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1g78 s ALA 52 Cb 0.21 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 20.20 1g78 s ALA 52 CO 0.40 -2.64 -0.11 0.08 0.00 0.00 0.00 175.76 173.48 1g78 s VAL 54 N -2.94 1.34 -0.21 0.00 1.01 0.15 -4.37 120.40 115.37 1g78 s VAL 54 Ca 0.65 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1g78 s VAL 54 Cb -0.18 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1g78 s VAL 54 CO 0.57 0.42 0.02 0.54 0.00 0.00 0.00 175.10 176.66 1g78 s VAL 55 N 1.55 4.11 -0.11 2.92 0.11 -0.59 -0.92 120.40 127.47 1g78 s VAL 55 Ca 0.04 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 1g78 s VAL 55 Cb -0.13 -2.88 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 1g78 s VAL 55 CO -0.09 0.40 -0.01 0.00 -3.33 0.00 0.00 175.10 172.07 1g78 s ALA 56 N 1.14 3.19 0.33 1.54 0.00 -0.43 -3.03 121.76 124.51 1g78 s ALA 56 Ca 0.03 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1g78 s ALA 56 Cb -0.14 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.40 1g78 s ALA 56 CO 0.02 0.46 0.06 0.95 0.00 0.00 0.00 175.76 177.25 1g78 s THR 57 N -0.46 1.15 -0.04 0.00 -4.23 -0.07 -2.32 115.64 109.66 1g78 s THR 57 Ca 0.08 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 1g78 s THR 57 Cb -0.12 -2.77 -0.00 0.00 1.34 0.00 0.00 72.50 70.95 1g78 s THR 57 CO 0.02 0.00 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.24 1g78 s VAL 58 N -3.30 1.41 0.69 2.29 1.01 -1.26 -0.06 120.40 121.19 1g78 s VAL 58 Ca 0.36 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1g78 s VAL 58 Cb 0.08 -1.22 0.15 0.00 0.00 0.00 0.00 36.38 35.40 1g78 s VAL 58 CO 0.15 0.41 0.95 -0.90 0.00 0.00 0.00 175.10 175.71 1g78 n ASP 59 N 3.19 0.59 0.14 3.32 5.68 -0.70 -4.67 116.55 124.10 1g78 n ASP 59 Ca -0.18 -1.66 0.11 0.00 -0.50 0.00 0.00 54.79 52.55 1g78 n ASP 59 Cb 0.53 -0.68 0.51 0.00 -1.14 0.00 0.00 41.12 40.35 1g78 n ASP 59 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1g78 n GLU 60 N -2.90 0.15 -0.16 0.11 0.28 -1.26 -2.13 120.64 114.74 1g78 n GLU 60 Ca 0.13 0.55 0.12 0.00 -0.16 0.00 0.00 57.16 57.80 1g78 n GLU 60 Cb 0.48 -1.89 0.20 0.00 1.43 0.00 0.00 31.44 31.65 1g78 n GLU 60 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1g78 n HIS 61 N -2.19 0.41 -0.42 -1.84 8.25 -1.26 -4.92 115.22 113.25 1g78 n HIS 61 Ca 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1g78 n HIS 61 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1g78 n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g78 n GLY 62 N 1.49 0.77 3.58 -1.41 0.00 -0.90 -5.05 105.19 103.67 1g78 n GLY 62 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1g78 n GLY 62 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g78 s GLN 63 N -0.58 3.74 0.57 1.61 2.00 -1.26 -4.83 119.66 120.90 1g78 s GLN 63 Ca 0.00 0.30 -0.18 0.00 -2.00 0.00 0.00 55.36 53.48 1g78 s GLN 63 Cb 0.00 -3.81 -0.05 0.00 0.80 0.00 0.00 33.01 29.95 1g78 s GLN 63 CO 0.00 -0.86 1.08 -1.25 -0.50 0.00 0.00 175.29 173.76 1g78 s PRO 64 N 3.11 3.35 0.02 1.67 0.04 -1.26 -1.71 135.00 140.21 1g78 s PRO 64 Ca 0.31 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1g78 s PRO 64 Cb -0.13 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1g78 s PRO 64 CO 0.17 -0.81 -0.08 0.71 0.04 0.00 0.00 177.00 177.03 1g78 s TYR 65 N -2.12 0.66 0.09 0.56 1.51 0.91 -4.92 117.35 114.04 1g78 s TYR 65 Ca 0.68 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1g78 s TYR 65 Cb -0.19 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1g78 s TYR 65 CO 0.31 -0.03 -0.11 -0.65 -1.11 0.00 0.00 175.55 173.96 1g78 s GLN 66 N -0.73 0.83 -0.10 -0.62 -0.21 -1.26 -0.89 119.66 116.67 1g78 s GLN 66 Ca -0.02 -1.08 -0.30 0.00 0.02 0.00 0.00 55.36 53.99 1g78 s GLN 66 Cb -0.05 -0.62 0.11 0.00 1.00 0.00 0.00 33.01 33.45 1g78 s GLN 66 CO 0.00 0.11 0.93 -0.98 -2.12 0.00 0.00 175.29 173.23 1g78 s ARG 67 N -2.40 0.72 0.13 2.91 3.03 -1.17 -5.02 118.95 117.15 1g78 s ARG 67 Ca 0.02 0.04 -0.19 0.00 2.03 0.00 0.00 55.73 57.64 1g78 s ARG 67 Cb -0.06 0.34 -0.07 0.00 -1.03 0.00 0.00 34.95 34.13 1g78 s ARG 67 CO 0.01 -0.25 0.63 0.42 -1.13 0.00 0.00 175.30 174.98 1g78 s ILE 68 N -1.64 4.67 0.09 4.99 1.01 -1.26 -1.55 121.20 127.50 1g78 s ILE 68 Ca -0.01 1.23 -0.01 0.00 0.00 0.00 0.00 60.65 61.86 1g78 s ILE 68 Cb -0.01 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1g78 s ILE 68 CO -0.00 0.42 0.00 0.68 0.00 0.00 0.00 174.94 176.04 1g78 s VAL 69 N -1.27 0.19 -0.18 2.92 -7.23 -1.26 -4.94 120.40 108.64 1g78 s VAL 69 Ca 0.35 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.53 1g78 s VAL 69 Cb -0.19 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 1g78 s VAL 69 CO 0.21 -0.77 0.23 -0.76 -0.31 0.00 0.00 175.10 173.70 1g78 s LEU 70 N -2.98 4.23 -0.00 1.32 1.43 -1.26 -4.49 118.68 116.92 1g78 s LEU 70 Ca 0.14 0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 1g78 s LEU 70 Cb 0.08 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1g78 s LEU 70 CO -0.05 0.12 1.38 -0.22 0.23 0.00 0.00 176.35 177.82 1g78 s LEU 71 N 0.46 4.31 -0.01 1.79 2.96 -0.45 -4.49 118.68 123.25 1g78 s LEU 71 Ca 0.13 2.09 0.12 0.00 -0.22 0.00 0.00 54.13 56.26 1g78 s LEU 71 Cb -0.12 -3.56 -0.17 0.00 0.50 0.00 0.00 46.19 42.84 1g78 s LEU 71 CO 0.02 -0.71 0.38 0.29 -1.32 0.00 0.00 176.35 175.01 1g78 n LYS 72 N 5.32 1.54 -3.58 1.98 4.76 0.10 -4.90 118.16 123.39 1g78 n LYS 72 Ca 0.13 -0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 1g78 n LYS 72 Cb 0.44 -1.19 -0.05 0.00 -1.84 0.00 0.00 35.03 32.39 1g78 n LYS 72 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1g78 s HIS 73 N -2.54 -0.31 -0.06 2.13 2.46 -1.22 -5.00 115.29 110.75 1g78 s HIS 73 Ca -0.01 0.49 -0.23 0.00 0.47 0.00 0.00 55.06 55.79 1g78 s HIS 73 Cb 0.08 0.47 0.05 0.00 -0.13 0.00 0.00 32.58 33.05 1g78 s HIS 73 CO 0.51 -0.32 0.51 1.52 -2.47 0.00 0.00 174.74 174.49 1g78 s TYR 74 N -1.37 -0.46 0.13 3.88 -0.85 -1.26 -0.61 117.35 116.82 1g78 s TYR 74 Ca 0.01 0.83 -0.12 0.00 -0.52 0.00 0.00 57.07 57.26 1g78 s TYR 74 Cb -0.01 0.25 0.04 0.00 0.38 0.00 0.00 41.96 42.63 1g78 s TYR 74 CO -0.01 -0.47 0.59 -0.40 -1.52 0.00 0.00 175.55 173.74 1g78 n ASP 75 N 1.33 -1.11 0.30 -0.18 3.85 -0.98 -4.98 116.55 114.78 1g78 n ASP 75 Ca -0.19 -1.62 0.18 0.00 -0.71 0.00 0.00 54.79 52.44 1g78 n ASP 75 Cb 0.56 1.81 0.92 0.00 -1.35 0.00 0.00 41.12 43.06 1g78 n ASP 75 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1g78 h GLU 76 N 0.00 0.00 0.00 0.11 9.09 -2.02 0.44 114.58 122.20 1g78 h GLU 76 Ca -0.17 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.18 1g78 h GLU 76 Cb 0.72 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.82 1g78 h GLU 76 CO 0.23 0.00 -0.28 0.87 0.05 0.00 0.00 179.01 179.88 1g78 h LYS 77 N 0.00 0.00 0.00 1.06 1.57 -1.95 -3.43 116.57 113.82 1g78 h LYS 77 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1g78 h LYS 77 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1g78 h LYS 77 CO -0.00 0.28 0.00 0.41 -0.57 0.00 0.00 179.45 179.57 1g78 n GLY 78 N 0.63 0.75 3.63 3.86 0.00 0.15 -4.26 105.19 109.95 1g78 n GLY 78 Ca 0.01 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 1g78 n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g78 s VAL 80 N 0.00 0.00 0.02 1.61 1.01 0.22 -2.31 120.40 120.95 1g78 s VAL 80 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1g78 s VAL 80 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1g78 s VAL 80 CO 0.00 0.00 0.26 0.72 0.00 0.00 0.00 175.10 176.08 1g78 s PHE 81 N 0.13 -0.08 0.05 5.22 -0.71 -0.91 0.01 117.98 121.70 1g78 s PHE 81 Ca 0.03 0.01 0.02 0.00 -1.04 0.00 0.00 56.93 55.95 1g78 s PHE 81 Cb -0.05 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1g78 s PHE 81 CO -0.06 -0.42 0.06 0.71 -1.34 0.00 0.00 175.22 174.18 1g78 s TYR 82 N -1.97 3.18 0.32 3.49 1.51 -1.26 -1.57 117.35 121.04 1g78 s TYR 82 Ca -0.09 0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 55.89 1g78 s TYR 82 Cb -0.03 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1g78 s TYR 82 CO -0.00 0.52 0.71 -0.08 -1.11 0.00 0.00 175.55 175.59 1g78 s THR 83 N -1.31 0.00 -0.04 -0.71 -1.32 -0.35 -4.91 115.64 107.00 1g78 s THR 83 Ca 0.27 -1.07 -0.28 0.00 -1.21 0.00 0.00 61.69 59.40 1g78 s THR 83 Cb -0.12 -2.36 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 1g78 s THR 83 CO 0.19 0.00 0.91 0.21 -2.21 0.00 0.00 174.62 173.71 1g78 s ASN 84 N -3.00 7.23 0.00 8.08 2.47 -1.26 -1.40 114.94 127.06 1g78 s ASN 84 Ca 0.15 1.50 0.14 0.00 0.42 0.00 0.00 52.86 55.06 1g78 s ASN 84 Cb -0.05 -2.52 0.68 0.00 -1.45 0.00 0.00 41.25 37.91 1g78 s ASN 84 CO 0.09 -0.26 1.41 0.18 -3.72 0.00 0.00 177.10 174.80 1g78 n LEU 85 N 4.11 0.00 -0.66 3.21 4.77 0.32 -2.17 117.00 126.59 1g78 n LEU 85 Ca 0.05 0.36 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 1g78 n LEU 85 Cb 0.51 -0.36 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 1g78 n LEU 85 CO 0.51 -0.19 0.54 0.61 -1.33 0.00 0.00 177.39 177.53 1g78 n GLY 86 N -0.07 0.88 3.64 -0.72 0.00 -1.26 -4.67 105.19 102.99 1g78 n GLY 86 Ca 0.06 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1g78 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g78 s SER 87 N -1.14 1.98 0.10 1.61 1.04 -0.92 -4.81 113.70 111.55 1g78 s SER 87 Ca 0.21 1.01 -0.19 0.00 0.48 0.00 0.00 55.95 57.46 1g78 s SER 87 Cb 0.13 -1.55 -0.07 0.00 0.10 0.00 0.00 66.02 64.63 1g78 s SER 87 CO 0.19 -3.51 1.61 0.03 0.98 0.00 0.00 173.24 172.54 1g78 h ARG 88 N -2.16 0.39 -0.86 4.02 3.08 -1.89 -1.52 114.38 115.45 1g78 h ARG 88 Ca -0.52 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.45 1g78 h ARG 88 Cb 1.32 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 1g78 h ARG 88 CO 0.51 0.46 0.57 1.57 -1.07 0.00 0.00 179.97 182.00 1g78 h LYS 89 N 0.24 1.12 -0.11 0.04 2.10 -1.93 0.37 116.57 118.40 1g78 h LYS 89 Ca 0.08 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 1g78 h LYS 89 Cb 0.23 -0.25 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1g78 h LYS 89 CO -0.00 0.74 -0.01 0.00 -2.00 0.00 0.00 179.45 178.18 1g78 h ALA 90 N 1.47 0.15 -0.53 0.07 0.00 -1.79 0.36 119.26 118.98 1g78 h ALA 90 Ca 0.32 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1g78 h ALA 90 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1g78 h ALA 90 CO -0.07 -0.15 0.28 0.45 0.00 0.00 0.00 179.25 179.76 1g78 h HIS 91 N -0.10 0.52 -0.46 0.00 3.86 -0.80 -0.99 115.15 117.19 1g78 h HIS 91 Ca 0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1g78 h HIS 91 Cb 0.38 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1g78 h HIS 91 CO 0.04 0.27 0.23 1.96 0.86 0.00 0.00 177.93 181.29 1g78 h GLN 92 N 0.55 0.67 -0.58 2.45 4.20 -0.84 -2.61 115.11 118.96 1g78 h GLN 92 Ca 0.23 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1g78 h GLN 92 Cb 0.10 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1g78 h GLN 92 CO -0.14 0.56 0.25 0.82 -0.67 0.00 0.00 178.83 179.65 1g78 h ILE 93 N 0.61 1.20 0.00 2.54 2.04 -0.47 0.11 117.51 123.54 1g78 h ILE 93 Ca 0.16 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1g78 h ILE 93 Cb 0.11 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1g78 h ILE 93 CO -0.02 0.24 -0.18 -0.33 0.00 0.00 0.00 178.15 177.86 1g78 h GLU 94 N 0.82 0.00 0.00 2.37 5.08 -0.84 -2.62 114.58 119.39 1g78 h GLU 94 Ca 0.20 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.33 1g78 h GLU 94 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1g78 h GLU 94 CO -0.02 0.18 -1.63 -1.71 -1.00 0.00 0.00 179.01 174.83 1g78 n ASN 95 N -4.08 0.77 -3.33 1.42 2.85 -0.70 -4.82 115.26 107.37 1g78 n ASN 95 Ca -0.02 0.35 -0.09 0.00 -0.11 0.00 0.00 54.58 54.71 1g78 n ASN 95 Cb 0.26 0.18 -0.07 0.00 1.24 0.00 0.00 39.78 41.39 1g78 n ASN 95 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1g78 s ASN 96 N -5.85 0.29 0.00 1.20 3.84 0.30 -5.04 114.94 109.68 1g78 s ASN 96 Ca -0.04 0.03 0.23 0.00 0.21 0.00 0.00 52.86 53.29 1g78 s ASN 96 Cb 0.08 1.12 1.18 0.00 -0.55 0.00 0.00 41.25 43.08 1g78 s ASN 96 CO 0.82 -0.32 1.75 -0.81 -2.79 0.00 0.00 177.10 175.75 1g78 n PRO 97 N 5.36 0.38 -2.36 0.43 -0.04 -1.02 -3.99 135.00 133.76 1g78 n PRO 97 Ca -0.02 0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 1g78 n PRO 97 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1g78 n PRO 97 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g78 s ARG 98 N -2.49 4.24 0.12 0.54 0.52 -1.26 -1.22 118.95 119.40 1g78 s ARG 98 Ca 0.23 1.74 0.03 0.00 -0.52 0.00 0.00 55.73 57.22 1g78 s ARG 98 Cb 0.15 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1g78 s ARG 98 CO 0.34 -0.70 -0.09 0.14 0.02 0.00 0.00 175.30 175.01 1g78 s VAL 99 N 3.42 0.93 0.06 3.52 -7.23 -0.50 -4.54 120.40 116.07 1g78 s VAL 99 Ca 0.58 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.88 1g78 s VAL 99 Cb -0.24 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1g78 s VAL 99 CO 0.18 -0.78 -0.24 -0.55 -0.31 0.00 0.00 175.10 173.39 1g78 s SER 100 N -3.03 2.89 -0.08 4.85 0.15 -0.98 -2.14 113.70 115.35 1g78 s SER 100 Ca 0.13 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1g78 s SER 100 Cb 0.03 -0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 1g78 s SER 100 CO -0.02 0.19 -0.12 -0.76 1.20 0.00 0.00 173.24 173.73 1g78 s LEU 101 N -1.42 1.59 -0.09 3.45 1.43 0.10 -1.31 118.68 122.43 1g78 s LEU 101 Ca 0.10 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1g78 s LEU 101 Cb -0.10 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1g78 s LEU 101 CO 0.03 0.01 -0.09 -0.22 0.23 0.00 0.00 176.35 176.31 1g78 s LEU 102 N 0.90 1.33 -0.44 1.79 0.20 -0.09 0.13 118.68 122.50 1g78 s LEU 102 Ca -0.10 -0.29 -0.21 0.00 0.69 0.00 0.00 54.13 54.22 1g78 s LEU 102 Cb -0.15 -0.81 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1g78 s LEU 102 CO 0.01 -0.07 0.66 -0.36 -0.29 0.00 0.00 176.35 176.30 1g78 s PHE 103 N 1.35 3.06 -1.37 5.38 0.40 0.31 0.29 117.98 127.40 1g78 s PHE 103 Ca -0.02 -0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.15 1g78 s PHE 103 Cb -0.14 -3.39 0.02 0.00 0.51 0.00 0.00 43.02 40.03 1g78 s PHE 103 CO -0.04 -0.88 2.17 -0.35 0.70 0.00 0.00 175.22 176.82 1g78 n PRO 104 N 6.32 2.71 -1.16 0.24 -0.04 -1.26 -3.27 135.00 138.53 1g78 n PRO 104 Ca -0.01 -2.55 -0.28 0.00 -0.04 0.00 0.00 63.50 60.62 1g78 n PRO 104 Cb 0.48 -3.26 0.06 0.00 -0.04 0.00 0.00 33.50 30.74 1g78 n PRO 104 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1g78 n TRP 105 N 6.43 2.59 0.28 0.54 8.01 -1.16 -4.64 117.44 129.49 1g78 n TRP 105 Ca 0.52 -2.63 0.17 0.00 -1.31 0.00 0.00 57.50 54.24 1g78 n TRP 105 Cb 0.40 -1.27 0.76 0.00 -2.01 0.00 0.00 31.31 29.19 1g78 n TRP 105 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 177.69 177.80 1g78 h HIS 106 N 1.80 0.00 0.00 -5.99 2.07 -1.76 -0.99 115.15 110.28 1g78 h HIS 106 Ca 0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 1g78 h HIS 106 Cb 0.85 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.83 1g78 h HIS 106 CO 1.20 0.04 0.00 1.79 -3.07 0.00 0.00 177.93 177.89 1g78 h THR 107 N 0.00 0.00 -0.43 6.12 1.35 -1.87 0.34 112.91 118.42 1g78 h THR 107 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1g78 h THR 107 Cb 0.43 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1g78 h THR 107 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 1g78 n LEU 108 N -3.05 4.32 -3.85 3.87 4.77 -0.49 -4.93 117.00 117.64 1g78 n LEU 108 Ca -0.02 -2.70 -0.29 0.00 -0.03 0.00 0.00 56.01 52.97 1g78 n LEU 108 Cb 0.15 -0.53 0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1g78 n LEU 108 CO 0.22 0.71 0.14 -0.62 -1.33 0.00 0.00 177.39 176.51 1g78 n GLU 109 N 0.27 -6.07 -4.19 3.23 1.02 0.12 -4.83 120.64 110.18 1g78 n GLU 109 Ca 0.22 0.65 -0.14 0.00 -0.02 0.00 0.00 57.16 57.87 1g78 n GLU 109 Cb 0.88 -5.58 -0.11 0.00 -0.02 0.00 0.00 31.44 26.61 1g78 n GLU 109 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1g78 s ARG 110 N -6.56 0.89 -0.15 3.49 0.52 -0.53 0.00 118.95 116.61 1g78 s ARG 110 Ca 0.65 -1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 54.55 1g78 s ARG 110 Cb -0.32 -0.55 0.05 0.00 0.52 0.00 0.00 34.95 34.65 1g78 s ARG 110 CO 0.81 0.08 0.38 -1.14 0.02 0.00 0.00 175.30 175.45 1g78 s GLN 111 N -2.97 0.39 0.34 3.54 0.74 -0.19 -2.32 119.66 119.18 1g78 s GLN 111 Ca 0.08 0.66 0.04 0.00 0.05 0.00 0.00 55.36 56.18 1g78 s GLN 111 Cb -0.02 0.06 -0.06 0.00 1.10 0.00 0.00 33.01 34.09 1g78 s GLN 111 CO 0.00 -0.12 0.07 0.08 -0.55 0.00 0.00 175.29 174.77 1g78 s VAL 112 N 0.92 1.11 -0.29 1.34 1.01 -1.20 -0.29 120.40 123.00 1g78 s VAL 112 Ca -0.06 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 59.67 1g78 s VAL 112 Cb -0.06 -2.73 0.17 0.00 0.00 0.00 0.00 36.38 33.76 1g78 s VAL 112 CO -0.07 0.00 1.30 -0.69 0.00 0.00 0.00 175.10 175.64 1g78 s VAL 114 N -3.28 0.00 -0.07 2.92 1.01 0.12 -0.53 120.40 120.58 1g78 s VAL 114 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1g78 s VAL 114 Cb 0.08 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1g78 s VAL 114 CO 0.15 0.00 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 1g78 s ILE 115 N 0.12 2.68 -0.02 2.22 -1.09 0.41 -0.73 121.20 124.78 1g78 s ILE 115 Ca 0.06 -0.84 -0.27 0.00 -2.23 0.00 0.00 60.65 57.37 1g78 s ILE 115 Cb -0.05 -2.04 0.09 0.00 -1.58 0.00 0.00 42.46 38.88 1g78 s ILE 115 CO -0.12 0.57 1.20 0.61 -1.23 0.00 0.00 174.94 175.97 1g78 n GLY 116 N 2.79 0.24 3.63 6.18 0.00 -0.91 -1.67 105.19 115.46 1g78 n GLY 116 Ca -0.17 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 1g78 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g78 s LYS 117 N -2.01 3.33 -0.00 1.61 -0.14 -1.25 -1.41 119.74 119.87 1g78 s LYS 117 Ca 0.28 -0.42 -0.18 0.00 -1.36 0.00 0.00 55.97 54.30 1g78 s LYS 117 Cb -0.01 -2.90 -0.06 0.00 -1.68 0.00 0.00 37.83 33.18 1g78 s LYS 117 CO -0.01 0.52 0.50 0.00 -0.76 0.00 0.00 175.35 175.60 1g78 s ALA 118 N -0.37 3.59 0.04 5.17 0.00 -0.36 -1.31 121.76 128.53 1g78 s ALA 118 Ca 0.07 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1g78 s ALA 118 Cb -0.12 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.42 1g78 s ALA 118 CO 0.02 0.32 -0.08 -1.83 0.00 0.00 0.00 175.76 174.19 1g78 s GLU 119 N -0.63 0.52 0.38 0.00 -1.05 -0.39 -4.87 118.70 112.65 1g78 s GLU 119 Ca 0.27 -0.70 -0.27 0.00 -0.15 0.00 0.00 54.97 54.12 1g78 s GLU 119 Cb -0.17 -0.30 -0.09 0.00 -0.44 0.00 0.00 34.13 33.12 1g78 s GLU 119 CO 0.15 0.06 1.25 1.03 0.95 0.00 0.00 175.26 178.69 1g78 s ARG 120 N -1.44 4.14 0.57 -4.83 1.81 -1.26 -0.29 118.95 117.65 1g78 s ARG 120 Ca -0.09 2.05 -0.09 0.00 -1.72 0.00 0.00 55.73 55.88 1g78 s ARG 120 Cb -0.09 -2.84 -0.04 0.00 -0.45 0.00 0.00 34.95 31.53 1g78 s ARG 120 CO 0.00 -0.31 0.94 -0.51 -0.68 0.00 0.00 175.30 174.74 1g78 s LEU 121 N -2.22 3.36 0.56 2.53 1.43 -0.36 -4.81 118.68 119.16 1g78 s LEU 121 Ca 0.54 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 1g78 s LEU 121 Cb -0.36 -4.23 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 1g78 s LEU 121 CO 0.46 -0.79 0.97 -0.94 0.23 0.00 0.00 176.35 176.29 1g78 s SER 122 N -4.16 6.37 0.46 2.29 1.04 -1.26 -4.78 113.70 113.66 1g78 s SER 122 Ca 0.52 1.39 0.11 0.00 0.48 0.00 0.00 55.95 58.45 1g78 s SER 122 Cb -0.11 -2.44 1.05 0.00 0.10 0.00 0.00 66.02 64.61 1g78 s SER 122 CO 0.51 -0.72 2.10 0.71 0.98 0.00 0.00 173.24 176.81 1g78 h THR 123 N 0.20 1.06 -0.11 2.02 1.35 -1.99 -1.76 112.91 113.68 1g78 h THR 123 Ca -0.45 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.31 1g78 h THR 123 Cb 1.19 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1g78 h THR 123 CO 0.62 0.06 0.03 0.25 -0.25 0.00 0.00 175.52 176.23 1g78 h LEU 124 N 0.30 0.03 0.03 3.87 5.85 -2.04 -2.86 115.31 120.49 1g78 h LEU 124 Ca 0.08 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1g78 h LEU 124 Cb -0.03 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1g78 h LEU 124 CO -0.02 0.03 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.77 1g78 h GLU 125 N 0.08 -0.04 -0.74 1.25 5.08 -1.75 -1.95 114.58 116.51 1g78 h GLU 125 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1g78 h GLU 125 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1g78 h GLU 125 CO -0.05 0.05 0.00 0.28 -1.00 0.00 0.00 179.01 178.28 1g78 n VAL 126 N -5.07 0.00 0.00 3.13 0.31 -0.73 -1.71 118.33 114.26 1g78 n VAL 126 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1g78 n VAL 126 Cb 0.08 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1g78 n VAL 126 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1g78 n LYS 128 N 0.63 0.00 -0.06 5.55 4.81 -0.73 -0.25 118.16 128.11 1g78 n LYS 128 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1g78 n LYS 128 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1g78 n LYS 128 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1g78 h TYR 129 N 0.00 0.77 -0.38 5.64 5.03 -1.61 -3.29 116.97 123.12 1g78 h TYR 129 Ca 0.00 -0.27 0.07 0.00 2.58 0.00 0.00 58.73 61.11 1g78 h TYR 129 Cb 0.00 -0.14 -0.07 0.00 1.55 0.00 0.00 36.73 38.07 1g78 h TYR 129 CO 0.00 1.02 -0.04 0.35 -1.32 0.00 0.00 178.16 178.17 1g78 h PHE 130 N 0.29 -0.10 0.00 -3.82 3.57 -0.88 -0.48 116.94 115.52 1g78 h PHE 130 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1g78 h PHE 130 Cb 0.97 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1g78 h PHE 130 CO 0.09 -0.11 0.00 0.72 -2.23 0.00 0.00 178.31 176.77 1g78 n HIS 131 N -5.24 0.00 0.26 0.41 8.25 -1.24 -1.63 115.22 116.03 1g78 n HIS 131 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1g78 n HIS 131 Cb 0.21 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 1g78 n HIS 131 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1g78 n SER 132 N -0.05 0.57 -4.84 0.41 3.41 -0.19 -5.02 113.62 107.90 1g78 n SER 132 Ca 0.00 -0.78 -0.32 0.00 -0.26 0.00 0.00 58.87 57.51 1g78 n SER 132 Cb 0.09 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 1g78 n SER 132 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1g78 s ARG 133 N -1.29 4.01 0.23 4.33 0.52 -0.65 -4.99 118.95 121.12 1g78 s ARG 133 Ca 0.03 0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 55.73 1g78 s ARG 133 Cb 0.04 -2.31 -0.14 0.00 0.52 0.00 0.00 34.95 33.06 1g78 s ARG 133 CO 0.19 0.01 1.35 -2.30 0.02 0.00 0.00 175.30 174.57 1g78 n PRO 134 N -0.78 1.86 -0.34 3.54 -0.02 -1.26 -4.63 135.00 133.36 1g78 n PRO 134 Ca 0.05 0.66 -0.02 0.00 -2.02 0.00 0.00 63.50 62.16 1g78 n PRO 134 Cb 0.54 -2.28 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1g78 n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g78 h ARG 135 N 3.93 -0.04 -0.19 -0.52 -0.00 -1.96 1.24 114.38 116.84 1g78 h ARG 135 Ca -0.45 0.00 0.05 0.00 -0.50 0.00 0.00 59.98 59.09 1g78 h ARG 135 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.26 1g78 h ARG 135 CO 0.74 -0.03 0.19 -0.44 0.00 0.00 0.00 179.97 180.43 1g78 h ASP 136 N -0.04 0.00 0.40 7.04 5.19 -1.99 0.18 116.42 127.20 1g78 h ASP 136 Ca 0.31 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.43 1g78 h ASP 136 Cb 0.58 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.11 1g78 h ASP 136 CO -0.91 0.00 -1.28 -1.28 -3.12 0.00 0.00 179.24 172.64 1g78 h SER 137 N 0.00 0.65 -0.64 6.45 0.87 0.11 -1.63 113.55 119.36 1g78 h SER 137 Ca 0.09 -0.65 -0.07 0.00 -1.23 0.00 0.00 61.79 59.92 1g78 h SER 137 Cb 0.46 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1g78 h SER 137 CO -0.00 1.49 0.13 1.56 -0.53 0.00 0.00 176.83 179.48 1g78 h GLN 138 N 0.15 1.06 -0.40 2.24 4.20 0.15 -1.86 115.11 120.65 1g78 h GLN 138 Ca -0.18 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.19 1g78 h GLN 138 Cb 1.98 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.61 1g78 h GLN 138 CO 0.23 0.96 -0.06 0.82 -0.67 0.00 0.00 178.83 180.10 1g78 h ILE 139 N 1.00 1.27 -0.87 2.54 2.04 -0.98 -2.73 117.51 119.78 1g78 h ILE 139 Ca 0.20 -1.13 0.12 0.00 1.00 0.00 0.00 64.86 65.06 1g78 h ILE 139 Cb 0.40 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 1g78 h ILE 139 CO 0.01 0.38 0.56 1.23 0.00 0.00 0.00 178.15 180.33 1g78 h GLY 140 N 0.56 1.19 0.67 5.37 0.00 -0.85 0.48 103.07 110.51 1g78 h GLY 140 Ca 0.11 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.20 1g78 h GLY 140 CO 0.03 0.14 0.63 0.00 0.00 0.00 0.00 176.54 177.35 1g78 h ALA 141 N 1.59 1.47 -0.28 3.60 0.00 -1.03 -1.76 119.26 122.85 1g78 h ALA 141 Ca 0.42 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 1g78 h ALA 141 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1g78 h ALA 141 CO -0.18 0.35 -0.33 -1.49 0.00 0.00 0.00 179.25 177.59 1g78 h TRP 142 N 1.09 0.69 -0.10 0.00 4.06 -0.88 -3.34 115.95 117.48 1g78 h TRP 142 Ca 0.45 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 61.21 1g78 h TRP 142 Cb 0.28 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1g78 h TRP 142 CO -0.00 0.85 0.03 0.28 -3.56 0.00 0.00 178.44 176.04 1g78 h VAL 143 N 0.50 1.17 -3.50 1.49 2.07 -0.98 -3.45 116.25 113.56 1g78 h VAL 143 Ca 0.06 -0.51 -0.61 0.00 0.82 0.00 0.00 66.70 66.46 1g78 h VAL 143 Cb 0.82 1.32 -0.12 0.00 -1.52 0.00 0.00 31.29 31.79 1g78 h VAL 143 CO 0.07 0.15 0.18 -0.55 0.02 0.00 0.00 177.57 177.44 1g78 s SER 144 N -5.52 6.55 -1.38 0.57 0.15 -1.14 -4.93 113.70 108.00 1g78 s SER 144 Ca -0.14 0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.98 1g78 s SER 144 Cb 0.06 -2.34 0.09 0.00 -1.71 0.00 0.00 66.02 62.11 1g78 s SER 144 CO 0.69 -0.45 2.26 1.17 1.20 0.00 0.00 173.24 178.11 1g78 n LYS 145 N 5.85 3.75 -0.68 5.44 4.81 -1.26 -4.94 118.16 131.13 1g78 n LYS 145 Ca -0.00 -3.11 -0.27 0.00 -0.87 0.00 0.00 58.31 54.06 1g78 n LYS 145 Cb 0.49 -2.90 -0.04 0.00 0.02 0.00 0.00 35.03 32.60 1g78 n LYS 145 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1g78 n GLN 146 N 3.67 0.00 0.00 1.64 7.27 -1.26 -1.61 117.38 127.08 1g78 n GLN 146 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1g78 n GLN 146 Cb 0.31 -0.63 0.00 0.00 2.41 0.00 0.00 30.24 32.34 1g78 n GLN 146 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1g78 n SER 147 N 1.13 0.00 -4.85 1.69 7.64 -1.26 -3.98 113.62 113.99 1g78 n SER 147 Ca 0.11 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.67 1g78 n SER 147 Cb 0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1g78 n SER 147 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1g78 s SER 148 N -2.78 6.61 -0.01 6.43 1.04 -0.64 -4.91 113.70 119.43 1g78 s SER 148 Ca 0.00 1.42 -0.30 0.00 0.48 0.00 0.00 55.95 57.55 1g78 s SER 148 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1g78 s SER 148 CO 0.00 -0.50 1.11 -0.13 0.98 0.00 0.00 173.24 174.70 1g78 s ARG 149 N -3.92 4.44 0.02 4.02 0.52 -1.26 -5.00 118.95 117.77 1g78 s ARG 149 Ca 0.56 1.59 0.08 0.00 -0.52 0.00 0.00 55.73 57.45 1g78 s ARG 149 Cb -0.10 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 1g78 s ARG 149 CO 0.30 -0.26 -0.24 0.96 0.02 0.00 0.00 175.30 176.08 1g78 s ILE 150 N 1.50 1.96 0.08 1.52 -4.36 -1.26 -5.05 121.20 115.59 1g78 s ILE 150 Ca 0.55 -1.20 0.29 0.00 -0.26 0.00 0.00 60.65 60.02 1g78 s ILE 150 Cb -0.24 -1.66 0.32 0.00 1.25 0.00 0.00 42.46 42.13 1g78 s ILE 150 CO 0.25 0.41 1.89 0.28 0.24 0.00 0.00 174.94 178.01 1g78 h SER 151 N 5.13 0.00 -4.84 4.36 0.02 -2.05 -3.46 113.55 112.70 1g78 h SER 151 Ca -0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1g78 h SER 151 Cb 1.14 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.52 1g78 h SER 151 CO 0.45 0.10 0.29 0.00 -1.14 0.00 0.00 176.83 176.53 1g78 s ALA 152 N -3.63 -1.73 0.36 3.77 0.00 -1.26 -5.03 121.76 114.24 1g78 s ALA 152 Ca 0.01 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.04 1g78 s ALA 152 Cb 0.09 0.33 0.67 0.00 0.00 0.00 0.00 23.12 24.21 1g78 s ALA 152 CO 0.59 -0.57 1.85 -0.09 0.00 0.00 0.00 175.76 177.55 1g78 h ARG 153 N 2.41 0.27 -0.94 0.00 2.43 -2.03 -3.01 114.38 113.51 1g78 h ARG 153 Ca -0.28 -0.08 0.21 0.00 -0.81 0.00 0.00 59.98 59.03 1g78 h ARG 153 Cb 1.22 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 1g78 h ARG 153 CO 0.36 0.46 0.62 0.78 -1.51 0.00 0.00 179.97 180.68 1g78 h GLY 154 N 0.88 0.98 0.24 2.80 0.00 -1.99 0.33 103.07 106.31 1g78 h GLY 154 Ca 0.04 -0.20 0.10 0.00 0.00 0.00 0.00 47.33 47.28 1g78 h GLY 154 CO 0.03 -0.03 0.12 -2.22 0.00 0.00 0.00 176.54 174.44 1g78 h ILE 155 N 0.43 0.67 0.12 2.60 2.04 -1.96 0.29 117.51 121.70 1g78 h ILE 155 Ca 0.50 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 66.27 1g78 h ILE 155 Cb 1.22 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1g78 h ILE 155 CO -0.21 0.05 -0.06 -0.07 0.00 0.00 0.00 178.15 177.86 1g78 h LEU 156 N 0.25 -0.14 -1.07 1.44 3.38 -1.12 -2.64 115.31 115.41 1g78 h LEU 156 Ca 0.29 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1g78 h LEU 156 Cb 0.42 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1g78 h LEU 156 CO -0.38 0.06 0.12 -0.33 0.09 0.00 0.00 178.44 178.01 1g78 h GLU 157 N -0.33 0.78 0.37 1.13 5.08 -1.23 -1.66 114.58 118.73 1g78 h GLU 157 Ca -0.02 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1g78 h GLU 157 Cb 0.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1g78 h GLU 157 CO 0.03 0.71 -0.18 0.77 -1.00 0.00 0.00 179.01 179.34 1g78 h SER 158 N 0.76 -0.42 -0.65 1.42 0.02 -0.93 -2.60 113.55 111.15 1g78 h SER 158 Ca 0.17 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1g78 h SER 158 Cb 0.28 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1g78 h SER 158 CO -0.00 -0.16 0.31 0.11 -1.14 0.00 0.00 176.83 175.94 1g78 h LYS 159 N -0.67 0.53 -0.15 3.45 1.79 -1.39 -1.29 116.57 118.83 1g78 h LYS 159 Ca -0.05 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1g78 h LYS 159 Cb 0.48 -0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 30.94 1g78 h LYS 159 CO 0.08 0.35 -0.36 0.35 -1.08 0.00 0.00 179.45 178.79 1g78 h PHE 160 N 0.55 -1.02 -0.48 -1.35 3.57 -1.16 0.76 116.94 117.80 1g78 h PHE 160 Ca 0.32 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.88 1g78 h PHE 160 Cb 0.32 0.47 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1g78 h PHE 160 CO -0.12 -0.43 0.29 -0.07 -2.23 0.00 0.00 178.31 175.75 1g78 h LEU 161 N -0.43 0.47 -0.70 0.59 3.38 -1.07 0.14 115.31 117.69 1g78 h LEU 161 Ca 0.09 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1g78 h LEU 161 Cb 0.58 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1g78 h LEU 161 CO -0.38 0.33 0.40 -0.08 0.09 0.00 0.00 178.44 178.80 1g78 h GLU 162 N 0.58 0.72 0.02 1.13 4.81 -0.59 -2.48 114.58 118.76 1g78 h GLU 162 Ca 0.19 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.16 1g78 h GLU 162 Cb 0.02 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1g78 h GLU 162 CO -0.09 0.48 -0.96 -0.07 -0.73 0.00 0.00 179.01 177.64 1g78 h LEU 163 N 0.74 0.38 -0.74 1.64 3.38 -0.50 -1.52 115.31 118.69 1g78 h LEU 163 Ca 0.31 -0.32 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1g78 h LEU 163 Cb 0.18 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1g78 h LEU 163 CO -0.18 1.14 0.32 0.50 0.09 0.00 0.00 178.44 180.31 1g78 h LYS 164 N 0.15 0.47 0.05 1.13 3.64 -0.27 -0.94 116.57 120.81 1g78 h LYS 164 Ca -0.07 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 58.96 1g78 h LYS 164 Cb 1.61 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.28 1g78 h LYS 164 CO 0.15 0.31 -1.86 0.00 -2.27 0.00 0.00 179.45 175.79 1g78 n GLN 165 N -4.96 0.69 -0.15 1.90 -0.00 -1.13 -2.05 117.38 111.68 1g78 n GLN 165 Ca 0.13 0.27 -0.07 0.00 -0.00 0.00 0.00 57.00 57.34 1g78 n GLN 165 Cb 0.38 -1.75 -0.01 0.00 -0.00 0.00 0.00 30.24 28.87 1g78 n GLN 165 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1g78 h LYS 166 N 0.03 -0.20 -0.34 2.61 3.64 -0.85 0.65 116.57 122.10 1g78 h LYS 166 Ca -0.36 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.96 1g78 h LYS 166 Cb 2.03 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.88 1g78 h LYS 166 CO 0.08 -0.14 -0.08 0.74 -2.27 0.00 0.00 179.45 177.78 1g78 h PHE 167 N -0.21 0.73 0.00 1.91 0.05 -1.33 -3.44 116.94 114.64 1g78 h PHE 167 Ca 0.20 -0.16 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1g78 h PHE 167 Cb 0.54 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 38.31 1g78 h PHE 167 CO -0.56 0.82 0.00 0.94 -0.18 0.00 0.00 178.31 179.32 1g78 n GLN 168 N -4.43 0.00 -2.08 1.51 0.00 0.22 -1.97 117.38 110.62 1g78 n GLN 168 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1g78 n GLN 168 Cb 0.33 -3.06 0.00 0.00 0.00 0.00 0.00 30.24 27.51 1g78 n GLN 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1g78 n GLN 169 N -2.00 0.00 -0.22 3.69 6.02 -1.26 -4.91 117.38 118.71 1g78 n GLN 169 Ca 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 57.00 57.27 1g78 n GLN 169 Cb 0.00 -3.29 0.43 0.00 1.02 0.00 0.00 30.24 28.40 1g78 n GLN 169 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g78 n GLY 170 N -0.90 -0.75 0.00 1.08 0.00 -0.83 -3.99 105.19 99.79 1g78 n GLY 170 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1g78 n GLY 170 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1g78 n GLU 171 N -3.21 0.00 -2.47 1.61 2.13 -1.26 -5.09 120.64 112.35 1g78 n GLU 171 Ca 0.23 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.04 1g78 n GLU 171 Cb 1.51 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 33.21 1g78 n GLU 171 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1g78 n VAL 172 N 0.00 -7.88 -1.42 6.31 3.14 -1.26 -4.95 118.33 112.27 1g78 n VAL 172 Ca 0.00 1.76 -0.34 0.00 -2.96 0.00 0.00 64.34 62.80 1g78 n VAL 172 Cb 0.00 -4.48 0.09 0.00 -1.06 0.00 0.00 33.84 28.39 1g78 n VAL 172 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1g78 s PRO 173 N -0.36 2.15 -0.17 1.45 0.02 -1.26 -4.99 135.00 131.84 1g78 s PRO 173 Ca -0.08 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.32 1g78 s PRO 173 Cb 0.01 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.68 1g78 s PRO 173 CO 0.20 -1.80 1.07 -1.17 -0.33 0.00 0.00 177.00 174.97 1g78 s LEU 174 N -5.25 4.17 0.55 -5.54 2.96 -1.26 -5.00 118.68 109.30 1g78 s LEU 174 Ca 0.72 1.50 -0.20 0.00 -0.22 0.00 0.00 54.13 55.93 1g78 s LEU 174 Cb -0.27 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.82 1g78 s LEU 174 CO 0.46 -0.61 1.16 -2.84 -1.32 0.00 0.00 176.35 173.20 1g78 s PRO 175 N 2.79 3.31 0.23 0.98 0.02 -1.26 -4.89 135.00 136.18 1g78 s PRO 175 Ca 0.48 1.69 0.25 0.00 0.02 0.00 0.00 61.00 63.44 1g78 s PRO 175 Cb -0.18 -2.04 0.91 0.00 0.02 0.00 0.00 34.50 33.21 1g78 s PRO 175 CO 0.12 -0.91 1.74 -1.13 -0.33 0.00 0.00 177.00 176.50 1g78 n SER 176 N -1.27 0.71 -1.94 2.53 3.41 -1.26 -2.83 113.62 112.97 1g78 n SER 176 Ca 0.12 0.62 0.02 0.00 -0.26 0.00 0.00 58.87 59.37 1g78 n SER 176 Cb 0.50 -0.79 0.37 0.00 -0.26 0.00 0.00 64.21 64.03 1g78 n SER 176 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1g78 n PHE 177 N -2.22 2.23 -5.05 7.33 1.16 -1.26 -4.88 117.46 114.77 1g78 n PHE 177 Ca 0.04 -0.90 -0.31 0.00 -1.87 0.00 0.00 57.45 54.41 1g78 n PHE 177 Cb 0.32 -0.58 -0.17 0.00 -1.61 0.00 0.00 39.48 37.44 1g78 n PHE 177 CO 0.00 0.00 0.00 -0.46 -1.87 0.00 0.00 176.76 174.43 1g78 s TRP 178 N -2.86 2.35 0.00 2.97 -0.00 -1.13 -0.52 118.94 119.75 1g78 s TRP 178 Ca 0.55 -0.97 0.00 0.00 -0.00 0.00 0.00 56.10 55.68 1g78 s TRP 178 Cb 0.43 -1.59 0.00 0.00 -0.00 0.00 0.00 33.47 32.30 1g78 s TRP 178 CO 0.15 -0.41 0.00 0.41 -0.00 0.00 0.00 176.95 177.10 1g78 n GLY 179 N 3.63 3.89 3.73 5.86 0.00 -0.50 -4.88 105.19 116.92 1g78 n GLY 179 Ca -0.20 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 1g78 n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g78 s GLY 180 N 0.00 0.05 0.04 -0.02 0.00 -1.26 -1.21 107.32 104.91 1g78 s GLY 180 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1g78 s GLY 180 CO 0.00 -0.24 -0.07 -1.36 0.00 0.00 0.00 173.10 171.43 1g78 s PHE 181 N -3.93 0.60 -0.17 1.90 0.40 -0.61 -1.23 117.98 114.95 1g78 s PHE 181 Ca 0.13 -0.47 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1g78 s PHE 181 Cb -0.04 -0.37 0.00 0.00 0.51 0.00 0.00 43.02 43.12 1g78 s PHE 181 CO 0.06 -0.09 -0.15 0.50 0.70 0.00 0.00 175.22 176.24 1g78 s ARG 182 N -1.45 3.20 -0.26 0.44 3.52 0.60 -2.14 118.95 122.86 1g78 s ARG 182 Ca -0.10 -0.75 -0.13 0.00 -0.13 0.00 0.00 55.73 54.63 1g78 s ARG 182 Cb -0.09 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1g78 s ARG 182 CO 0.00 -0.04 0.26 0.08 -0.81 0.00 0.00 175.30 174.79 1g78 s VAL 183 N 0.97 5.27 0.59 7.11 1.01 -1.26 -1.26 120.40 132.83 1g78 s VAL 183 Ca -0.02 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1g78 s VAL 183 Cb -0.15 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1g78 s VAL 183 CO -0.03 0.25 1.10 -0.94 0.00 0.00 0.00 175.10 175.48 1g78 s SER 184 N 1.46 5.56 -0.74 3.32 1.04 -0.42 -4.23 113.70 119.69 1g78 s SER 184 Ca 0.11 2.01 -0.17 0.00 0.48 0.00 0.00 55.95 58.38 1g78 s SER 184 Cb -0.15 -2.56 0.15 0.00 0.10 0.00 0.00 66.02 63.56 1g78 s SER 184 CO 0.09 -1.32 0.79 -0.76 0.98 0.00 0.00 173.24 173.02 1g78 s LEU 185 N -4.33 5.86 -0.18 2.42 1.43 -1.26 -3.75 118.68 118.88 1g78 s LEU 185 Ca 0.68 -2.01 0.14 0.00 -1.03 0.00 0.00 54.13 51.91 1g78 s LEU 185 Cb -0.20 -2.28 -0.24 0.00 0.03 0.00 0.00 46.19 43.50 1g78 s LEU 185 CO 0.34 -0.90 0.15 -0.62 0.23 0.00 0.00 176.35 175.55 1g78 n GLU 186 N 5.49 0.68 -3.72 1.70 1.02 -0.67 -4.77 120.64 120.37 1g78 n GLU 186 Ca 0.05 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 1g78 n GLU 186 Cb 0.45 -1.58 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 1g78 n GLU 186 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1g78 s GLN 187 N -2.52 0.46 -0.06 3.49 -0.21 -0.95 -1.41 119.66 118.47 1g78 s GLN 187 Ca -0.13 0.65 -0.00 0.00 0.02 0.00 0.00 55.36 55.90 1g78 s GLN 187 Cb 0.07 0.16 0.03 0.00 1.00 0.00 0.00 33.01 34.26 1g78 s GLN 187 CO 0.80 -0.09 -0.01 0.42 -2.12 0.00 0.00 175.29 174.29 1g78 s ILE 188 N 0.59 0.37 -0.09 1.08 1.01 -0.56 -0.45 121.20 123.15 1g78 s ILE 188 Ca -0.03 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1g78 s ILE 188 Cb -0.05 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1g78 s ILE 188 CO -0.04 0.23 -0.13 -0.70 0.00 0.00 0.00 174.94 174.30 1g78 s GLU 189 N 1.52 2.98 -0.09 2.79 2.12 -1.26 -0.20 118.70 126.57 1g78 s GLU 189 Ca -0.02 -0.68 0.02 0.00 0.36 0.00 0.00 54.97 54.65 1g78 s GLU 189 Cb -0.13 -2.53 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 1g78 s GLU 189 CO -0.03 0.41 -0.13 -0.06 -0.54 0.00 0.00 175.26 174.91 1g78 s PHE 190 N -0.17 2.77 -0.04 5.30 0.40 -0.54 -4.19 117.98 121.51 1g78 s PHE 190 Ca -0.00 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1g78 s PHE 190 Cb -0.13 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1g78 s PHE 190 CO 0.03 0.00 -0.12 -0.46 0.70 0.00 0.00 175.22 175.37 1g78 s TRP 191 N -0.20 1.29 -0.03 0.36 -0.00 0.60 -1.89 118.94 119.07 1g78 s TRP 191 Ca 0.01 -0.37 -0.01 0.00 -0.00 0.00 0.00 56.10 55.73 1g78 s TRP 191 Cb -0.13 -0.91 0.03 0.00 -0.00 0.00 0.00 33.47 32.46 1g78 s TRP 191 CO 0.03 -0.16 0.06 -1.14 -0.00 0.00 0.00 176.95 175.74 1g78 s GLN 192 N 0.24 -0.01 0.23 5.86 0.74 -0.48 -1.02 119.66 125.22 1g78 s GLN 192 Ca -0.06 0.24 -0.28 0.00 0.05 0.00 0.00 55.36 55.31 1g78 s GLN 192 Cb -0.11 -0.24 -0.16 0.00 1.10 0.00 0.00 33.01 33.60 1g78 s GLN 192 CO 0.02 -0.17 0.70 0.41 -0.55 0.00 0.00 175.29 175.69 1g78 n GLY 193 N 4.22 -1.21 3.02 2.59 0.00 0.10 -1.55 105.19 112.36 1g78 n GLY 193 Ca -0.27 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1g78 n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g78 s GLY 194 N -0.82 0.35 0.96 -0.02 0.00 -1.26 -4.66 107.32 101.87 1g78 s GLY 194 Ca 0.63 -0.68 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 1g78 s GLY 194 CO 0.57 -0.75 1.16 -1.83 0.00 0.00 0.00 173.10 172.25 1g78 s GLU 195 N -1.60 0.70 -1.03 2.90 1.03 -1.26 -3.53 118.70 115.91 1g78 s GLU 195 Ca -0.13 0.15 0.00 0.00 0.03 0.00 0.00 54.97 55.02 1g78 s GLU 195 Cb -0.09 -1.80 0.00 0.00 -0.80 0.00 0.00 34.13 31.44 1g78 s GLU 195 CO -0.01 -2.47 0.00 0.72 -1.33 0.00 0.00 175.26 172.17 1g78 n HIS 196 N -3.93 -0.16 -0.94 4.83 8.25 -1.26 -0.46 115.22 121.55 1g78 n HIS 196 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1g78 n HIS 196 Cb 0.59 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 29.32 1g78 n HIS 196 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1g78 n ARG 197 N -0.98 -0.26 -3.11 -0.41 3.00 -1.23 -4.94 116.66 108.73 1g78 n ARG 197 Ca -0.10 0.06 -0.45 0.00 -0.00 0.00 0.00 57.85 57.37 1g78 n ARG 197 Cb 0.46 -3.26 -0.02 0.00 0.00 0.00 0.00 32.46 29.64 1g78 n ARG 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1g78 s LEU 198 N 0.00 5.78 0.55 6.15 1.43 0.39 -4.87 118.68 128.10 1g78 s LEU 198 Ca 0.00 -2.50 -0.01 0.00 -1.03 0.00 0.00 54.13 50.60 1g78 s LEU 198 Cb 0.00 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1g78 s LEU 198 CO 0.00 -0.79 0.79 -1.00 0.23 0.00 0.00 176.35 175.58 1g78 s HIS 199 N 1.35 2.99 -0.16 0.29 3.76 -1.26 -4.06 115.29 118.20 1g78 s HIS 199 Ca 0.28 0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 55.25 1g78 s HIS 199 Cb -0.07 -2.70 -0.05 0.00 1.11 0.00 0.00 32.58 30.88 1g78 s HIS 199 CO -0.08 -0.81 0.19 -0.51 -0.85 0.00 0.00 174.74 172.68 1g78 s ASP 200 N -4.37 6.35 -0.02 1.40 1.01 -0.59 -4.49 116.67 115.94 1g78 s ASP 200 Ca 0.55 0.40 0.00 0.00 0.71 0.00 0.00 52.55 54.22 1g78 s ASP 200 Cb -0.10 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.74 1g78 s ASP 200 CO 0.40 0.24 0.02 -0.13 0.21 0.00 0.00 175.17 175.90 1g78 s ARG 201 N -0.10 0.05 -0.06 8.23 0.52 -1.26 -1.38 118.95 124.95 1g78 s ARG 201 Ca 0.13 0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.50 1g78 s ARG 201 Cb -0.12 -0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.07 1g78 s ARG 201 CO 0.02 -0.15 -0.06 -0.06 0.02 0.00 0.00 175.30 175.07 1g78 s PHE 202 N 1.02 0.95 -0.24 -0.53 0.40 -0.79 -1.16 117.98 117.62 1g78 s PHE 202 Ca -0.09 -0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 55.88 1g78 s PHE 202 Cb -0.13 -0.81 -0.00 0.00 0.51 0.00 0.00 43.02 42.59 1g78 s PHE 202 CO -0.03 -0.25 -0.01 -1.17 0.70 0.00 0.00 175.22 174.47 1g78 s LEU 203 N 1.04 3.21 -0.20 -0.37 2.96 0.57 -1.47 118.68 124.43 1g78 s LEU 203 Ca -0.09 -0.51 -0.18 0.00 -0.22 0.00 0.00 54.13 53.13 1g78 s LEU 203 Cb -0.14 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1g78 s LEU 203 CO -0.00 -0.08 0.52 -0.31 -1.32 0.00 0.00 176.35 175.16 1g78 s TYR 204 N 1.48 3.37 -0.16 5.38 1.51 0.73 -2.19 117.35 127.46 1g78 s TYR 204 Ca 0.04 0.77 0.01 0.00 -1.01 0.00 0.00 57.07 56.89 1g78 s TYR 204 Cb -0.15 -2.67 0.02 0.00 -0.11 0.00 0.00 41.96 39.04 1g78 s TYR 204 CO -0.01 -0.11 -0.19 -1.14 -1.11 0.00 0.00 175.55 172.99 1g78 s GLN 205 N 1.65 2.81 0.36 -0.62 0.74 0.60 -1.50 119.66 123.71 1g78 s GLN 205 Ca 0.24 -0.76 -0.28 0.00 0.05 0.00 0.00 55.36 54.60 1g78 s GLN 205 Cb -0.15 -2.42 -0.11 0.00 1.10 0.00 0.00 33.01 31.42 1g78 s GLN 205 CO 0.10 -0.18 1.48 0.54 -0.55 0.00 0.00 175.29 176.68 1g78 n ARG 206 N 4.56 2.62 -2.96 1.67 5.12 -0.50 -0.47 116.66 126.70 1g78 n ARG 206 Ca -0.20 0.92 -0.15 0.00 -1.93 0.00 0.00 57.85 56.49 1g78 n ARG 206 Cb 0.50 -2.64 -0.01 0.00 -1.16 0.00 0.00 32.46 29.15 1g78 n ARG 206 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1g78 n GLU 207 N 0.74 0.73 -1.74 5.56 2.13 0.32 -4.85 120.64 123.53 1g78 n GLU 207 Ca 0.03 -2.44 -0.01 0.00 0.66 0.00 0.00 57.16 55.40 1g78 n GLU 207 Cb 0.38 -1.36 0.01 0.00 0.27 0.00 0.00 31.44 30.74 1g78 n GLU 207 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1g78 n ASN 208 N 1.61 -2.28 0.00 4.31 3.02 -1.26 -3.66 115.26 117.01 1g78 n ASN 208 Ca 0.15 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1g78 n ASN 208 Cb 0.58 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1g78 n ASN 208 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1g78 n ASP 209 N -1.53 0.00 -4.67 6.41 2.03 -1.26 -4.95 116.55 112.58 1g78 n ASP 209 Ca -0.01 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.06 1g78 n ASP 209 Cb 0.51 -0.83 -0.08 0.00 -0.72 0.00 0.00 41.12 40.01 1g78 n ASP 209 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g78 s ALA 210 N -2.34 3.32 -0.09 -1.67 0.00 -1.24 -5.12 121.76 114.63 1g78 s ALA 210 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 51.96 50.10 1g78 s ALA 210 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1g78 s ALA 210 CO 0.00 0.06 -0.18 -1.58 0.00 0.00 0.00 175.76 174.06 1g78 s TRP 211 N -2.47 2.65 -0.17 0.00 0.52 -1.26 0.12 118.94 118.33 1g78 s TRP 211 Ca 0.36 -0.61 -0.06 0.00 0.02 0.00 0.00 56.10 55.80 1g78 s TRP 211 Cb -0.01 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 1g78 s TRP 211 CO 0.21 -0.15 0.02 0.21 0.02 0.00 0.00 176.95 177.26 1g78 s LYS 212 N -0.03 3.83 -0.14 4.98 2.20 0.38 -4.87 119.74 126.09 1g78 s LYS 212 Ca -0.05 -0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.12 1g78 s LYS 212 Cb -0.14 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1g78 s LYS 212 CO 0.04 0.28 -0.04 0.42 -0.36 0.00 0.00 175.35 175.70 1g78 s ILE 213 N 0.30 3.91 0.00 5.43 1.01 -1.26 -0.29 121.20 130.30 1g78 s ILE 213 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1g78 s ILE 213 Cb -0.13 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1g78 s ILE 213 CO 0.01 0.52 -0.05 -1.81 0.00 0.00 0.00 174.94 173.61 1g78 s ASP 214 N 0.12 0.56 0.07 3.58 1.01 -0.93 -4.96 116.67 116.11 1g78 s ASP 214 Ca -0.01 -0.12 -0.24 0.00 0.71 0.00 0.00 52.55 52.89 1g78 s ASP 214 Cb -0.14 -0.05 -0.06 0.00 1.01 0.00 0.00 42.92 43.68 1g78 s ASP 214 CO 0.03 0.03 0.71 -0.60 0.21 0.00 0.00 175.17 175.55 1g78 s ARG 215 N -0.23 4.45 -0.03 8.23 3.52 -1.26 -0.31 118.95 133.31 1g78 s ARG 215 Ca 0.01 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.61 1g78 s ARG 215 Cb -0.02 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 1g78 s ARG 215 CO -0.00 0.43 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.35 1g78 s LEU 216 N -0.53 3.24 0.30 -0.88 1.43 -0.31 -4.94 118.68 116.98 1g78 s LEU 216 Ca 0.35 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 1g78 s LEU 216 Cb -0.21 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 1g78 s LEU 216 CO 0.22 0.32 1.44 0.00 0.23 0.00 0.00 176.35 178.56 1g78 s ALA 217 N -0.93 3.61 -2.00 4.21 0.00 -1.26 -4.19 121.76 121.19 1g78 s ALA 217 Ca 0.15 1.39 0.18 0.00 0.00 0.00 0.00 51.96 53.69 1g78 s ALA 217 Cb -0.11 -3.56 1.10 0.00 0.00 0.00 0.00 23.12 20.54 1g78 s ALA 217 CO 0.05 -0.81 1.49 -0.35 0.00 0.00 0.00 175.76 176.15