#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttn n TYR 22 N 0.00 -2.90 -4.48 1.61 9.36 -1.26 -5.05 117.16 114.44 1ttn n TYR 22 Ca 0.00 1.09 -0.23 0.00 3.32 0.00 0.00 57.90 62.09 1ttn n TYR 22 Cb 0.00 -4.12 -0.11 0.00 -0.63 0.00 0.00 39.34 34.49 1ttn n TYR 22 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1ttn s GLU 23 N -3.23 1.71 0.11 2.98 0.41 -1.26 -5.05 118.70 114.37 1ttn s GLU 23 Ca 0.07 -1.96 0.05 0.00 -0.41 0.00 0.00 54.97 52.73 1ttn s GLU 23 Cb -0.01 -0.98 -0.04 0.00 -1.78 0.00 0.00 34.13 31.33 1ttn s GLU 23 CO 0.75 -0.18 -0.13 0.00 -0.49 0.00 0.00 175.26 175.21 1ttn s GLN 25 N -2.50 0.45 0.22 0.00 -2.07 -1.26 0.22 119.66 114.73 1ttn s GLN 25 Ca 0.06 0.67 0.01 0.00 -1.82 0.00 0.00 55.36 54.28 1ttn s GLN 25 Cb -0.06 0.15 -0.05 0.00 -1.09 0.00 0.00 33.01 31.96 1ttn s GLN 25 CO 0.02 -0.08 0.09 -0.48 -1.32 0.00 0.00 175.29 173.52 1ttn s LEU 26 N 0.93 1.62 0.26 2.60 2.34 -0.95 -3.51 118.68 121.96 1ttn s LEU 26 Ca -0.04 -1.34 0.01 0.00 0.06 0.00 0.00 54.13 52.81 1ttn s LEU 26 Cb -0.04 0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.66 1ttn s LEU 26 CO -0.12 -0.73 0.45 -0.13 -1.06 0.00 0.00 176.35 174.76 1ttn s ARG 27 N -4.04 3.50 0.18 1.48 0.52 -0.99 -1.08 118.95 118.52 1ttn s ARG 27 Ca 0.35 -0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.23 1ttn s ARG 27 Cb 0.07 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.72 1ttn s ARG 27 CO 0.11 0.31 -0.12 -0.51 0.02 0.00 0.00 175.30 175.11 1ttn s LEU 28 N -3.81 2.54 -0.36 2.53 2.01 -0.24 -0.40 118.68 120.96 1ttn s LEU 28 Ca 0.38 -1.03 -0.00 0.00 0.01 0.00 0.00 54.13 53.50 1ttn s LEU 28 Cb -0.10 -0.53 0.12 0.00 0.01 0.00 0.00 46.19 45.69 1ttn s LEU 28 CO 0.31 -0.25 0.17 -0.60 1.01 0.00 0.00 176.35 177.00 1ttn s ARG 29 N -3.69 0.80 0.44 1.70 6.06 -0.59 -2.00 118.95 121.67 1ttn s ARG 29 Ca 0.21 -1.36 0.08 0.00 -2.50 0.00 0.00 55.73 52.16 1ttn s ARG 29 Cb 0.01 -1.87 0.01 0.00 0.06 0.00 0.00 34.95 33.17 1ttn s ARG 29 CO 0.05 -1.09 0.55 -0.51 -2.50 0.00 0.00 175.30 171.80 1ttn s LEU 30 N 1.16 3.52 0.00 -0.88 1.43 0.98 0.88 118.68 125.78 1ttn s LEU 30 Ca 0.14 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ttn s LEU 30 Cb -0.21 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1ttn s LEU 30 CO -0.13 -0.81 0.00 -1.54 0.23 0.00 0.00 176.35 174.10 1ttn n SER 31 N -1.83 -1.05 0.00 2.29 3.41 -1.26 0.25 113.62 115.43 1ttn n SER 31 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1ttn n SER 31 Cb 0.60 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1ttn n SER 31 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ttn n THR 32 N -0.75 0.00 0.00 6.66 -2.24 -1.26 -4.79 114.28 111.90 1ttn n THR 32 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ttn n THR 32 Cb 0.09 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1ttn n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ttn n GLY 33 N -2.60 0.00 3.05 3.38 0.00 0.36 -5.08 105.19 104.29 1ttn n GLY 33 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ttn n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ttn s LYS 34 N 0.00 2.77 -0.28 1.61 2.36 0.68 -4.84 119.74 122.03 1ttn s LYS 34 Ca 0.00 -2.99 -0.21 0.00 -2.55 0.00 0.00 55.97 50.22 1ttn s LYS 34 Cb 0.00 -3.72 -0.01 0.00 -1.05 0.00 0.00 37.83 33.05 1ttn s LYS 34 CO 0.00 -1.22 0.64 0.34 1.55 0.00 0.00 175.35 176.66 1ttn s ASP 35 N -0.15 6.55 -0.22 1.43 2.15 -1.22 -0.01 116.67 125.20 1ttn s ASP 35 Ca 0.22 0.58 -0.13 0.00 0.43 0.00 0.00 52.55 53.65 1ttn s ASP 35 Cb -0.13 -2.34 0.07 0.00 -0.30 0.00 0.00 42.92 40.22 1ttn s ASP 35 CO -0.09 -0.44 0.53 -0.22 -0.17 0.00 0.00 175.17 174.78 1ttn s LEU 36 N 2.59 -0.41 -0.14 -1.34 2.96 -0.85 -4.92 118.68 116.57 1ttn s LEU 36 Ca 0.26 1.15 -0.14 0.00 -0.22 0.00 0.00 54.13 55.18 1ttn s LEU 36 Cb -0.15 1.80 -0.05 0.00 0.50 0.00 0.00 46.19 48.29 1ttn s LEU 36 CO 0.10 -0.21 0.32 -1.59 -1.32 0.00 0.00 176.35 173.65 1ttn s LYS 37 N 1.36 4.22 0.03 1.98 0.00 -1.26 -1.08 119.74 124.99 1ttn s LYS 37 Ca -0.09 0.15 0.02 0.00 0.00 0.00 0.00 55.97 56.05 1ttn s LYS 37 Cb -0.07 -3.41 -0.04 0.00 0.00 0.00 0.00 37.83 34.32 1ttn s LYS 37 CO -0.14 0.28 0.03 -1.17 0.00 0.00 0.00 175.35 174.35 1ttn s LEU 38 N 0.34 3.62 -0.02 2.77 2.96 -0.24 -4.92 118.68 123.19 1ttn s LEU 38 Ca 0.18 -0.01 -0.25 0.00 -0.22 0.00 0.00 54.13 53.83 1ttn s LEU 38 Cb -0.13 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1ttn s LEU 38 CO 0.05 0.24 0.76 0.54 -1.32 0.00 0.00 176.35 176.62 1ttn s VAL 39 N -1.20 4.93 0.21 1.68 0.11 -1.26 -2.24 120.40 122.63 1ttn s VAL 39 Ca 0.23 1.58 0.00 0.00 -2.93 0.00 0.00 61.98 60.87 1ttn s VAL 39 Cb -0.12 -4.10 -0.05 0.00 -1.53 0.00 0.00 36.38 30.59 1ttn s VAL 39 CO 0.14 0.27 0.09 0.68 -3.33 0.00 0.00 175.10 172.95 1ttn s VAL 40 N 0.56 0.37 -0.29 2.04 -7.23 0.13 -4.94 120.40 111.05 1ttn s VAL 40 Ca 0.40 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1ttn s VAL 40 Cb -0.19 -2.45 0.18 0.00 0.56 0.00 0.00 36.38 34.49 1ttn s VAL 40 CO 0.21 -0.13 0.52 -0.60 -0.31 0.00 0.00 175.10 174.79 1ttn s ARG 41 N -4.05 0.51 0.00 4.82 3.00 -1.26 -0.61 118.95 121.36 1ttn s ARG 41 Ca 0.34 0.41 0.00 0.00 -1.00 0.00 0.00 55.73 55.49 1ttn s ARG 41 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 34.95 35.08 1ttn s ARG 41 CO 0.10 -1.03 0.00 -1.13 0.00 0.00 0.00 175.30 173.24 1ttn n SER 42 N 5.40 0.00 0.00 -2.12 3.41 -1.26 -1.88 113.62 117.17 1ttn n SER 42 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1ttn n SER 42 Cb 0.52 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.63 1ttn n SER 42 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ttn n THR 43 N 0.00 0.01 -1.20 6.66 5.66 -1.26 -4.08 114.28 120.06 1ttn n THR 43 Ca 0.00 -0.01 -0.30 0.00 -3.05 0.00 0.00 64.05 60.69 1ttn n THR 43 Cb 0.00 0.41 0.07 0.00 -1.55 0.00 0.00 70.33 69.27 1ttn n THR 43 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ttn n ASP 44 N -1.52 7.17 -4.40 1.09 9.92 -0.78 -4.66 116.55 123.36 1ttn n ASP 44 Ca 0.05 -3.59 -0.29 0.00 -0.53 0.00 0.00 54.79 50.42 1ttn n ASP 44 Cb 0.34 -0.99 0.24 0.00 -0.64 0.00 0.00 41.12 40.07 1ttn n ASP 44 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ttn n THR 45 N -0.62 0.00 -0.29 -3.53 -2.24 -1.26 -2.67 114.28 103.67 1ttn n THR 45 Ca 0.54 -0.43 0.22 0.00 -2.27 0.00 0.00 64.05 62.12 1ttn n THR 45 Cb 0.69 -0.88 0.35 0.00 -2.10 0.00 0.00 70.33 68.39 1ttn n THR 45 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ttn n VAL 46 N -4.88 -0.04 0.25 2.28 0.31 -1.26 0.70 118.33 115.69 1ttn n VAL 46 Ca 0.02 0.73 -0.10 0.00 -0.01 0.00 0.00 64.34 64.98 1ttn n VAL 46 Cb 0.56 -1.22 -0.05 0.00 -0.91 0.00 0.00 33.84 32.23 1ttn n VAL 46 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1ttn h PHE 47 N 0.00 -0.61 -0.68 3.52 3.04 -1.76 1.29 116.94 121.74 1ttn h PHE 47 Ca 0.42 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.29 1ttn h PHE 47 Cb 1.58 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 40.26 1ttn h PHE 47 CO -0.00 -0.38 0.17 0.45 -2.02 0.00 0.00 178.31 176.53 1ttn h HIS 48 N -0.84 1.14 -0.87 0.41 3.86 -0.04 0.62 115.15 119.43 1ttn h HIS 48 Ca -0.07 -0.14 0.22 0.00 -1.16 0.00 0.00 60.37 59.22 1ttn h HIS 48 Cb 0.51 -0.32 -0.13 0.00 1.06 0.00 0.00 27.41 28.53 1ttn h HIS 48 CO 0.06 0.93 0.33 1.98 0.86 0.00 0.00 177.93 182.09 1ttn h MET 49 N 1.02 0.33 -0.20 2.45 1.85 0.50 1.07 114.93 121.95 1ttn h MET 49 Ca 0.21 -0.02 -0.17 0.00 -0.61 0.00 0.00 59.70 59.12 1ttn h MET 49 Cb 0.37 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.32 1ttn h MET 49 CO 0.00 0.22 -0.55 -0.22 -0.40 0.00 0.00 176.91 175.96 1ttn h LYS 50 N 0.34 0.61 0.39 0.39 3.64 0.31 0.53 116.57 122.78 1ttn h LYS 50 Ca 0.54 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1ttn h LYS 50 Cb 1.04 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1ttn h LYS 50 CO -0.56 1.00 -0.34 0.00 -2.27 0.00 0.00 179.45 177.28 1ttn h ARG 51 N 0.47 -0.69 0.00 1.90 2.47 0.65 -1.40 114.38 117.79 1ttn h ARG 51 Ca 0.01 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1ttn h ARG 51 Cb 1.11 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1ttn h ARG 51 CO 0.11 -0.46 -0.02 0.00 0.56 0.00 0.00 179.97 180.16 1ttn h ARG 52 N -0.71 0.00 0.47 0.04 3.08 -0.02 -2.60 114.38 114.64 1ttn h ARG 52 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ttn h ARG 52 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1ttn h ARG 52 CO -0.01 0.02 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.48 1ttn h LEU 53 N 0.00 -0.94 -1.33 3.04 -0.00 0.20 0.73 115.31 117.01 1ttn h LEU 53 Ca -0.00 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1ttn h LEU 53 Cb 0.13 0.30 -0.04 0.00 -0.00 0.00 0.00 40.66 41.05 1ttn h LEU 53 CO 0.00 -0.53 0.47 -0.74 -0.00 0.00 0.00 178.44 177.64 1ttn h HIS 54 N -0.82 0.84 -0.73 1.13 2.76 -1.05 1.22 115.15 118.50 1ttn h HIS 54 Ca -0.05 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1ttn h HIS 54 Cb 0.70 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1ttn h HIS 54 CO -0.15 0.50 0.22 0.00 -1.30 0.00 0.00 177.93 177.20 1ttn h ALA 55 N 1.58 0.96 0.08 5.26 0.00 -1.02 -0.62 119.26 125.51 1ttn h ALA 55 Ca 0.28 -0.23 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 1ttn h ALA 55 Cb 0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ttn h ALA 55 CO -0.08 0.66 -1.72 0.00 0.00 0.00 0.00 179.25 178.11 1ttn n ALA 56 N -2.45 0.84 -0.04 0.00 0.00 0.25 -4.73 120.51 114.39 1ttn n ALA 56 Ca 0.06 -0.55 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 1ttn n ALA 56 Cb 0.24 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 1ttn n ALA 56 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ttn h GLU 57 N -0.34 0.00 0.00 0.00 4.39 0.14 -3.50 114.58 115.27 1ttn h GLU 57 Ca -0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1ttn h GLU 57 Cb 1.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1ttn h GLU 57 CO -0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.23 1ttn n GLY 58 N 1.69 0.58 3.47 -3.84 0.00 -0.24 -4.98 105.19 101.87 1ttn n GLY 58 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1ttn n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ttn s VAL 59 N -0.33 4.54 0.82 1.61 1.01 -1.26 -4.87 120.40 121.91 1ttn s VAL 59 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1ttn s VAL 59 Cb 0.00 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.95 1ttn s VAL 59 CO 0.00 -1.13 1.09 -1.83 0.00 0.00 0.00 175.10 173.24 1ttn s GLU 60 N 3.51 1.88 0.19 2.72 -1.05 -1.26 -3.70 118.70 120.99 1ttn s GLU 60 Ca 0.22 1.11 -0.13 0.00 -0.15 0.00 0.00 54.97 56.02 1ttn s GLU 60 Cb -0.17 -1.86 0.21 0.00 -0.44 0.00 0.00 34.13 31.88 1ttn s GLU 60 CO 0.14 -1.89 1.23 -2.30 0.95 0.00 0.00 175.26 173.38 1ttn n PRO 61 N -3.68 -0.17 0.18 -4.83 -0.01 -1.26 0.16 135.00 125.39 1ttn n PRO 61 Ca 0.09 1.22 0.17 0.00 -0.01 0.00 0.00 63.50 64.97 1ttn n PRO 61 Cb 0.53 -1.81 0.81 0.00 -0.01 0.00 0.00 33.50 33.02 1ttn n PRO 61 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.50 176.27 1ttn h GLY 62 N 0.00 0.00 0.00 -1.23 0.00 -1.99 -2.12 103.07 97.72 1ttn h GLY 62 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.27 1ttn h GLY 62 CO -0.79 0.00 -2.32 1.44 0.00 0.00 0.00 176.54 174.87 1ttn n SER 63 N -3.86 0.61 -4.53 0.19 7.64 0.42 -4.88 113.62 109.21 1ttn n SER 63 Ca 0.02 -0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1ttn n SER 63 Cb 0.36 0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 64.19 1ttn n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ttn s GLN 64 N -2.47 3.48 -0.20 1.43 1.03 0.37 -2.85 119.66 120.45 1ttn s GLN 64 Ca -0.14 -0.58 -0.05 0.00 0.04 0.00 0.00 55.36 54.64 1ttn s GLN 64 Cb 0.06 -3.82 -0.02 0.00 0.03 0.00 0.00 33.01 29.26 1ttn s GLN 64 CO 0.74 -0.51 -0.01 1.03 -2.54 0.00 0.00 175.29 174.01 1ttn s ARG 65 N 1.86 3.58 -0.01 9.60 0.52 -0.77 -4.48 118.95 129.25 1ttn s ARG 65 Ca 0.09 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.46 1ttn s ARG 65 Cb -0.17 -3.06 -0.06 0.00 0.52 0.00 0.00 34.95 32.18 1ttn s ARG 65 CO 0.11 -0.01 1.45 1.67 0.02 0.00 0.00 175.30 178.54 1ttn s TRP 66 N 1.04 2.70 -0.20 -0.53 -2.14 -1.26 -1.66 118.94 116.90 1ttn s TRP 66 Ca 0.02 0.70 -0.04 0.00 2.66 0.00 0.00 56.10 59.44 1ttn s TRP 66 Cb -0.14 -3.72 0.09 0.00 -3.10 0.00 0.00 33.47 26.60 1ttn s TRP 66 CO 0.01 -2.73 0.25 -0.06 -2.66 0.00 0.00 176.95 171.77 1ttn s PHE 67 N 2.67 -0.38 -0.32 1.66 0.08 0.26 -2.26 117.98 119.69 1ttn s PHE 67 Ca 0.66 0.44 -0.08 0.00 0.12 0.00 0.00 56.93 58.06 1ttn s PHE 67 Cb -0.32 -0.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.89 1ttn s PHE 67 CO 0.27 -0.58 0.11 0.12 -0.10 0.00 0.00 175.22 175.04 1ttn s PHE 68 N 2.37 3.19 -0.59 0.36 2.19 0.18 0.13 117.98 125.81 1ttn s PHE 68 Ca 0.07 -1.01 0.00 0.00 0.33 0.00 0.00 56.93 56.32 1ttn s PHE 68 Cb -0.15 -2.30 0.00 0.00 -1.31 0.00 0.00 43.02 39.26 1ttn s PHE 68 CO -0.12 -0.60 0.00 0.45 1.83 0.00 0.00 175.22 176.78 1ttn n SER 69 N 4.89 -5.34 0.00 6.13 2.88 -1.26 -1.73 113.62 119.19 1ttn n SER 69 Ca -0.14 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ttn n SER 69 Cb 0.47 -3.33 0.00 0.00 -0.75 0.00 0.00 64.21 60.60 1ttn n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ttn n GLY 70 N -0.07 1.17 3.24 0.46 0.00 -1.26 -5.11 105.19 103.61 1ttn n GLY 70 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1ttn n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ttn s ARG 71 N -0.46 1.10 -0.20 1.61 0.52 -0.70 -5.08 118.95 115.73 1ttn s ARG 71 Ca 0.00 -1.02 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 1ttn s ARG 71 Cb 0.00 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.18 1ttn s ARG 71 CO 0.00 0.30 1.63 -1.25 0.02 0.00 0.00 175.30 176.00 1ttn s PRO 72 N -1.62 3.82 0.18 3.54 0.04 -1.26 0.52 135.00 140.23 1ttn s PRO 72 Ca 0.05 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1ttn s PRO 72 Cb -0.09 -4.04 -0.08 0.00 0.04 0.00 0.00 34.50 30.33 1ttn s PRO 72 CO 0.03 -1.26 0.99 -1.17 0.04 0.00 0.00 177.00 175.63 1ttn s LEU 73 N 5.13 4.56 0.96 -3.56 2.96 -0.96 -4.89 118.68 122.88 1ttn s LEU 73 Ca 0.72 1.94 -0.12 0.00 -0.22 0.00 0.00 54.13 56.45 1ttn s LEU 73 Cb -0.26 -3.60 0.16 0.00 0.50 0.00 0.00 46.19 42.99 1ttn s LEU 73 CO 0.29 -0.02 1.09 -0.89 -1.32 0.00 0.00 176.35 175.51 1ttn s THR 74 N -0.56 2.31 -2.08 3.68 2.01 -1.26 -4.80 115.64 114.94 1ttn s THR 74 Ca 0.45 0.10 0.18 0.00 0.31 0.00 0.00 61.69 62.74 1ttn s THR 74 Cb -0.26 -2.59 0.48 0.00 0.01 0.00 0.00 72.50 70.14 1ttn s THR 74 CO 0.32 -0.13 1.63 -0.90 -0.69 0.00 0.00 174.62 174.85 1ttn n ASP 75 N -4.06 0.54 -2.73 3.53 5.68 -1.26 -3.65 116.55 114.60 1ttn n ASP 75 Ca 0.06 -1.54 -0.05 0.00 -0.50 0.00 0.00 54.79 52.75 1ttn n ASP 75 Cb 0.56 -0.04 0.04 0.00 -1.14 0.00 0.00 41.12 40.55 1ttn n ASP 75 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ttn n LYS 76 N -0.42 1.36 -0.00 0.11 5.02 -1.26 -3.29 118.16 119.69 1ttn n LYS 76 Ca 0.14 -3.22 -0.05 0.00 -2.02 0.00 0.00 58.31 53.16 1ttn n LYS 76 Cb 0.15 -1.27 -0.12 0.00 -0.02 0.00 0.00 35.03 33.77 1ttn n LYS 76 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1ttn n MET 77 N -0.32 0.63 0.00 1.97 2.81 -1.24 -3.74 117.12 117.22 1ttn n MET 77 Ca 0.07 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1ttn n MET 77 Cb 0.82 -1.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1ttn n MET 77 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ttn n LYS 78 N -2.97 0.00 0.00 0.03 0.00 -1.26 0.87 118.16 114.83 1ttn n LYS 78 Ca -0.14 0.54 0.04 0.00 0.00 0.00 0.00 58.31 58.75 1ttn n LYS 78 Cb 0.96 -1.47 0.17 0.00 0.00 0.00 0.00 35.03 34.69 1ttn n LYS 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ttn n PHE 79 N -2.05 0.00 -0.01 5.64 7.35 -1.26 -1.22 117.46 125.91 1ttn n PHE 79 Ca 0.00 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.53 1ttn n PHE 79 Cb 0.00 -0.48 -0.14 0.00 0.35 0.00 0.00 39.48 39.21 1ttn n PHE 79 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ttn n GLU 80 N -1.48 0.71 -0.10 -4.13 4.07 -0.64 -4.56 120.64 114.51 1ttn n GLU 80 Ca 0.02 0.27 -0.17 0.00 -0.06 0.00 0.00 57.16 57.21 1ttn n GLU 80 Cb 0.09 -1.74 -0.08 0.00 -0.06 0.00 0.00 31.44 29.65 1ttn n GLU 80 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1ttn n GLU 81 N -3.29 0.54 0.00 5.31 2.13 0.25 -4.95 120.64 120.63 1ttn n GLU 81 Ca -0.26 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1ttn n GLU 81 Cb 1.05 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 31.08 1ttn n GLU 81 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ttn n LEU 82 N -4.46 0.00 -2.85 4.31 7.99 -0.36 -4.81 117.00 116.82 1ttn n LEU 82 Ca -0.27 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.33 1ttn n LEU 82 Cb 0.59 -0.14 0.04 0.00 -0.11 0.00 0.00 43.42 43.80 1ttn n LEU 82 CO 0.14 0.00 1.51 0.29 -1.51 0.00 0.00 177.39 177.82 1ttn n LYS 83 N -1.93 2.76 -0.07 3.23 4.76 -1.26 -4.46 118.16 121.18 1ttn n LYS 83 Ca 0.00 -3.52 -0.07 0.00 -2.87 0.00 0.00 58.31 51.85 1ttn n LYS 83 Cb 0.00 -2.27 -0.12 0.00 -1.84 0.00 0.00 35.03 30.80 1ttn n LYS 83 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1ttn n ILE 84 N -0.57 0.98 0.00 -0.18 -5.35 -1.26 -4.68 119.36 108.29 1ttn n ILE 84 Ca 0.54 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1ttn n ILE 84 Cb 0.28 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 1ttn n ILE 84 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1ttn n PRO 85 N -2.53 1.16 0.00 6.28 -0.02 -1.23 -3.46 135.00 135.20 1ttn n PRO 85 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1ttn n PRO 85 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.44 1ttn n PRO 85 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ttn n LYS 86 N 0.00 0.00 0.00 -0.52 5.02 -1.26 -1.36 118.16 120.04 1ttn n LYS 86 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1ttn n LYS 86 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ttn n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ttn n ASP 87 N 8.90 0.93 -4.74 4.39 8.00 -1.26 -4.92 116.55 127.85 1ttn n ASP 87 Ca 0.00 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.12 1ttn n ASP 87 Cb 0.00 0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1ttn n ASP 87 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ttn s TYR 88 N -1.02 3.01 -0.01 1.24 2.02 -0.47 -4.90 117.35 117.23 1ttn s TYR 88 Ca 0.05 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1ttn s TYR 88 Cb 0.05 -3.85 0.01 0.00 -0.40 0.00 0.00 41.96 37.77 1ttn s TYR 88 CO 0.15 -2.83 0.01 0.54 -1.57 0.00 0.00 175.55 171.85 1ttn s VAL 89 N 0.18 0.02 -0.37 0.71 0.11 -1.26 -2.35 120.40 117.44 1ttn s VAL 89 Ca 0.61 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.55 1ttn s VAL 89 Cb -0.42 -0.07 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1ttn s VAL 89 CO 0.42 0.05 0.50 -0.69 -3.33 0.00 0.00 175.10 172.04 1ttn s VAL 90 N 0.40 5.03 -0.12 2.04 1.01 0.47 -4.63 120.40 124.59 1ttn s VAL 90 Ca -0.03 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.86 1ttn s VAL 90 Cb -0.05 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1ttn s VAL 90 CO -0.01 -0.27 0.91 -1.58 0.00 0.00 0.00 175.10 174.15 1ttn s GLN 91 N 2.35 4.38 0.32 2.72 -0.44 0.34 -1.54 119.66 127.79 1ttn s GLN 91 Ca 0.17 1.19 0.08 0.00 -2.50 0.00 0.00 55.36 54.30 1ttn s GLN 91 Cb -0.16 -3.54 -0.03 0.00 -1.64 0.00 0.00 33.01 27.64 1ttn s GLN 91 CO 0.14 -0.28 0.23 0.14 0.50 0.00 0.00 175.29 176.02 1ttn s VAL 92 N 1.93 3.58 -0.05 1.34 -7.23 0.25 0.90 120.40 121.12 1ttn s VAL 92 Ca 0.43 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1ttn s VAL 92 Cb -0.18 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.64 1ttn s VAL 92 CO 0.16 -0.22 0.09 0.27 -0.31 0.00 0.00 175.10 175.09 1ttn s ILE 93 N -2.30 -0.08 -0.35 -0.62 -4.36 -0.67 -3.99 121.20 108.83 1ttn s ILE 93 Ca 0.38 0.24 0.01 0.00 -0.26 0.00 0.00 60.65 61.02 1ttn s ILE 93 Cb -0.05 -0.17 0.11 0.00 1.25 0.00 0.00 42.46 43.59 1ttn s ILE 93 CO 0.25 0.10 0.11 0.54 0.24 0.00 0.00 174.94 176.18 1ttn s VAL 94 N 1.35 1.38 -0.51 8.37 0.11 -1.13 -1.85 120.40 128.11 1ttn s VAL 94 Ca -0.06 -1.90 0.02 0.00 -2.93 0.00 0.00 61.98 57.10 1ttn s VAL 94 Cb -0.12 -2.02 0.46 0.00 -1.53 0.00 0.00 36.38 33.17 1ttn s VAL 94 CO -0.04 -0.70 1.71 -1.20 -3.33 0.00 0.00 175.10 171.54 1ttn n SER 95 N 4.42 6.39 -4.02 3.54 7.64 -1.26 -4.85 113.62 125.48 1ttn n SER 95 Ca 0.02 -3.77 -0.33 0.00 1.01 0.00 0.00 58.87 55.79 1ttn n SER 95 Cb 0.40 -0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 62.77 1ttn n SER 95 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ttn s GLN 96 N -3.71 2.64 0.59 1.43 -1.52 -1.26 -4.93 119.66 112.91 1ttn s GLN 96 Ca 0.59 -2.98 0.29 0.00 -1.95 0.00 0.00 55.36 51.31 1ttn s GLN 96 Cb 0.47 -3.64 1.52 0.00 -0.22 0.00 0.00 33.01 31.14 1ttn s GLN 96 CO 0.01 -1.22 1.94 -1.35 -0.25 0.00 0.00 175.29 174.43 1ttn h PRO 97 N 6.22 0.00 0.00 2.91 0.11 -1.92 0.14 132.00 139.47 1ttn h PRO 97 Ca 0.06 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.99 1ttn h PRO 97 Cb 0.85 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 1ttn h PRO 97 CO 0.75 0.00 -1.32 -0.24 -0.21 0.00 0.00 178.00 176.98 1ttn h VAL 98 N 0.00 0.66 -0.84 3.15 3.04 -2.01 -3.33 116.25 116.91 1ttn h VAL 98 Ca 0.17 -2.20 -0.55 0.00 -1.01 0.00 0.00 66.70 63.11 1ttn h VAL 98 Cb 0.99 2.18 -0.25 0.00 -2.01 0.00 0.00 31.29 32.21 1ttn h VAL 98 CO -0.00 0.37 0.70 0.00 -1.01 0.00 0.00 177.57 177.64 1ttn n GLN 99 N -2.98 2.35 -0.53 4.17 1.13 0.49 -5.23 117.38 116.79 1ttn n GLN 99 Ca -0.09 -2.73 0.00 0.00 -1.94 0.00 0.00 57.00 52.25 1ttn n GLN 99 Cb 0.86 -2.07 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1ttn n GLN 99 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71