#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 2.60 -3.23 1.61 4.11 -1.26 -4.97 117.16 116.03 1ttn n TYR 22 Ca 0.00 -2.61 -0.33 0.00 -0.00 0.00 0.00 57.90 54.96 1ttn n TYR 22 Cb 0.00 -1.27 -0.06 0.00 -0.00 0.00 0.00 39.34 38.01 1ttn n TYR 22 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1ttn s GLU 23 N -3.09 3.99 0.13 -3.48 0.41 -1.26 -4.96 118.70 110.43 1ttn s GLU 23 Ca 0.53 0.58 0.10 0.00 -0.41 0.00 0.00 54.97 55.77 1ttn s GLU 23 Cb 0.41 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 30.11 1ttn s GLU 23 CO -0.03 0.27 -0.23 0.00 -0.49 0.00 0.00 175.26 174.78 1ttn s GLN 25 N -2.15 0.34 -0.04 0.00 -0.21 -1.13 0.98 119.66 117.44 1ttn s GLN 25 Ca 0.16 0.99 0.01 0.00 0.02 0.00 0.00 55.36 56.55 1ttn s GLN 25 Cb -0.10 0.27 -0.03 0.00 1.00 0.00 0.00 33.01 34.14 1ttn s GLN 25 CO 0.08 -0.23 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.46 1ttn s LEU 26 N 2.39 3.30 0.03 2.90 1.43 -0.84 -3.77 118.68 124.12 1ttn s LEU 26 Ca -0.03 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1ttn s LEU 26 Cb -0.11 -1.80 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 1ttn s LEU 26 CO -0.13 0.33 0.37 -0.13 0.23 0.00 0.00 176.35 177.02 1ttn s ARG 27 N -1.12 3.77 0.11 1.70 0.52 -0.95 -1.13 118.95 121.86 1ttn s ARG 27 Ca 0.15 0.21 0.10 0.00 -0.52 0.00 0.00 55.73 55.68 1ttn s ARG 27 Cb -0.11 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 1ttn s ARG 27 CO 0.05 0.63 -0.26 -0.51 0.02 0.00 0.00 175.30 175.22 1ttn s LEU 28 N -1.54 2.28 -0.31 2.53 2.01 -0.51 0.90 118.68 124.04 1ttn s LEU 28 Ca 0.28 -0.71 -0.00 0.00 0.01 0.00 0.00 54.13 53.71 1ttn s LEU 28 Cb -0.15 -1.20 0.10 0.00 0.01 0.00 0.00 46.19 44.95 1ttn s LEU 28 CO 0.15 0.19 0.09 -0.60 1.01 0.00 0.00 176.35 177.19 1ttn s ARG 29 N -1.86 0.82 0.19 1.70 3.52 -0.74 -0.93 118.95 121.64 1ttn s ARG 29 Ca 0.13 -1.17 -0.27 0.00 -0.13 0.00 0.00 55.73 54.29 1ttn s ARG 29 Cb -0.10 -2.15 -0.08 0.00 -1.56 0.00 0.00 34.95 31.06 1ttn s ARG 29 CO 0.05 -0.97 0.83 -0.51 -0.81 0.00 0.00 175.30 173.89 1ttn s LEU 30 N 1.53 4.61 0.58 -0.88 2.01 0.24 -1.95 118.68 124.82 1ttn s LEU 30 Ca 0.10 1.75 0.28 0.00 0.01 0.00 0.00 54.13 56.27 1ttn s LEU 30 Cb -0.17 -3.40 1.56 0.00 0.01 0.00 0.00 46.19 44.18 1ttn s LEU 30 CO -0.23 0.19 2.01 -1.28 1.01 0.00 0.00 176.35 178.05 1ttn h SER 31 N 4.27 0.00 0.51 2.29 0.87 -1.73 0.86 113.55 120.62 1ttn h SER 31 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ttn h SER 31 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ttn h SER 31 CO 0.67 0.00 -0.02 0.41 -0.53 0.00 0.00 176.83 177.36 1ttn n THR 32 N -3.81 0.00 -0.36 2.23 -1.04 -1.26 -4.85 114.28 105.19 1ttn n THR 32 Ca 0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1ttn n THR 32 Cb 0.49 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1ttn n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ttn n GLY 33 N 1.27 0.95 2.93 3.41 0.00 0.29 -5.07 105.19 108.97 1ttn n GLY 33 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.64 1.89 -0.34 1.61 2.47 -0.75 -4.89 119.74 119.09 1ttn s LYS 34 Ca 0.00 -2.53 -0.09 0.00 -1.56 0.00 0.00 55.97 51.79 1ttn s LYS 34 Cb 0.00 -3.22 0.02 0.00 -1.46 0.00 0.00 37.83 33.16 1ttn s LYS 34 CO 0.00 -1.11 0.15 0.34 0.16 0.00 0.00 175.35 174.90 1ttn s ASP 35 N -0.18 5.51 -0.10 1.43 -1.08 -1.25 0.79 116.67 121.78 1ttn s ASP 35 Ca 0.17 -0.84 -0.08 0.00 -0.52 0.00 0.00 52.55 51.27 1ttn s ASP 35 Cb -0.25 -1.97 0.03 0.00 -1.46 0.00 0.00 42.92 39.27 1ttn s ASP 35 CO -0.00 -0.29 0.27 -0.22 0.52 0.00 0.00 175.17 175.44 1ttn s LEU 36 N 1.54 0.80 -0.22 -1.34 1.98 -0.11 -4.91 118.68 116.41 1ttn s LEU 36 Ca 0.02 0.55 -0.14 0.00 -2.89 0.00 0.00 54.13 51.67 1ttn s LEU 36 Cb -0.18 0.90 -0.04 0.00 0.66 0.00 0.00 46.19 47.52 1ttn s LEU 36 CO 0.05 -0.11 0.33 -0.75 -1.89 0.00 0.00 176.35 173.97 1ttn s LYS 37 N 0.45 4.12 -0.10 1.98 2.20 -1.26 -1.43 119.74 125.70 1ttn s LYS 37 Ca -0.03 0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 55.57 1ttn s LYS 37 Cb -0.04 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1ttn s LYS 37 CO -0.02 -0.05 0.11 -1.17 -0.36 0.00 0.00 175.35 173.86 1ttn s LEU 38 N 1.36 4.21 -0.15 5.43 2.96 -0.28 -4.90 118.68 127.31 1ttn s LEU 38 Ca 0.15 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 1ttn s LEU 38 Cb -0.15 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1ttn s LEU 38 CO 0.07 0.39 1.34 0.68 -1.32 0.00 0.00 176.35 177.51 1ttn s VAL 39 N -1.02 4.15 0.41 1.68 -7.23 -1.26 -1.99 120.40 115.14 1ttn s VAL 39 Ca 0.16 1.38 0.07 0.00 -1.81 0.00 0.00 61.98 61.78 1ttn s VAL 39 Cb -0.12 -3.90 -0.08 0.00 0.56 0.00 0.00 36.38 32.84 1ttn s VAL 39 CO 0.05 -0.13 0.03 0.68 -0.31 0.00 0.00 175.10 175.41 1ttn s VAL 40 N 3.63 2.02 -0.33 1.32 -7.23 0.28 -4.94 120.40 115.14 1ttn s VAL 40 Ca 0.58 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.85 1ttn s VAL 40 Cb -0.24 -2.99 0.19 0.00 0.56 0.00 0.00 36.38 33.90 1ttn s VAL 40 CO 0.18 0.00 0.59 -0.60 -0.31 0.00 0.00 175.10 174.95 1ttn s ARG 41 N -3.73 0.64 0.00 4.82 3.52 -1.26 -1.24 118.95 121.70 1ttn s ARG 41 Ca 0.35 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1ttn s ARG 41 Cb 0.09 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 1ttn s ARG 41 CO 0.18 -1.10 0.00 0.45 -0.81 0.00 0.00 175.30 174.02 1ttn n SER 42 N 5.06 0.00 -0.42 -2.12 2.88 -1.26 -1.85 113.62 115.91 1ttn n SER 42 Ca 0.07 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.72 1ttn n SER 42 Cb 0.55 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.09 1ttn n SER 42 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ttn n THR 43 N 0.00 0.00 -0.90 2.46 -2.24 -1.26 -3.93 114.28 108.42 1ttn n THR 43 Ca 0.00 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 1ttn n THR 43 Cb 0.00 1.04 0.17 0.00 -2.10 0.00 0.00 70.33 69.44 1ttn n THR 43 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ttn n ASP 44 N -0.21 3.76 -4.13 3.42 2.03 -0.77 -4.64 116.55 116.00 1ttn n ASP 44 Ca 0.10 -3.34 -0.33 0.00 0.52 0.00 0.00 54.79 51.74 1ttn n ASP 44 Cb 0.44 -0.78 0.13 0.00 -0.72 0.00 0.00 41.12 40.18 1ttn n ASP 44 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ttn n THR 45 N -0.80 0.00 -0.38 5.18 -2.24 -1.26 -1.88 114.28 112.89 1ttn n THR 45 Ca 0.49 -0.19 0.32 0.00 -2.27 0.00 0.00 64.05 62.40 1ttn n THR 45 Cb 1.48 -0.41 0.49 0.00 -2.10 0.00 0.00 70.33 69.79 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 -4.15 0.00 0.30 2.28 0.31 -1.18 0.10 118.33 115.99 1ttn n VAL 46 Ca 0.00 1.01 -0.15 0.00 -0.01 0.00 0.00 64.34 65.19 1ttn n VAL 46 Cb 0.64 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.71 -0.13 3.52 3.04 0.47 0.64 116.94 123.77 1ttn h PHE 47 Ca 0.56 -0.02 -0.23 0.00 3.98 0.00 0.00 57.97 62.26 1ttn h PHE 47 Cb 2.50 0.23 0.01 0.00 2.56 0.00 0.00 35.95 41.25 1ttn h PHE 47 CO 0.00 -0.38 -0.82 0.45 -2.02 0.00 0.00 178.31 175.55 1ttn h HIS 48 N -0.99 1.04 -0.77 0.41 3.86 0.54 -0.10 115.15 119.14 1ttn h HIS 48 Ca -0.08 -0.47 0.18 0.00 -1.16 0.00 0.00 60.37 58.84 1ttn h HIS 48 Cb 0.65 -0.15 -0.14 0.00 1.06 0.00 0.00 27.41 28.83 1ttn h HIS 48 CO 0.00 1.30 0.00 1.98 0.86 0.00 0.00 177.93 182.08 1ttn h MET 49 N 0.50 0.09 -0.02 2.45 1.85 0.13 1.06 114.93 120.99 1ttn h MET 49 Ca -0.06 -0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 58.86 1ttn h MET 49 Cb 1.45 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.44 1ttn h MET 49 CO 0.17 0.06 -0.72 1.57 -0.40 0.00 0.00 176.91 177.59 1ttn h LYS 50 N 0.10 0.13 0.27 0.39 2.10 0.39 0.79 116.57 120.74 1ttn h LYS 50 Ca 0.43 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1ttn h LYS 50 Cb 0.76 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.07 1ttn h LYS 50 CO -0.69 0.80 -0.49 -0.09 -2.00 0.00 0.00 179.45 176.97 1ttn h ARG 51 N 0.09 -0.80 0.00 0.07 2.43 0.29 -0.39 114.38 116.07 1ttn h ARG 51 Ca -0.02 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ttn h ARG 51 Cb 1.27 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1ttn h ARG 51 CO 0.10 -0.53 0.00 0.00 -1.51 0.00 0.00 179.97 178.03 1ttn h ARG 52 N -0.83 0.00 -0.23 0.20 3.08 -0.41 -2.77 114.38 113.42 1ttn h ARG 52 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ttn h ARG 52 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1ttn h ARG 52 CO -0.19 0.00 0.15 1.25 -1.07 0.00 0.00 179.97 180.11 1ttn h LEU 53 N 0.00 0.27 -0.11 3.04 5.85 0.82 0.70 115.31 125.89 1ttn h LEU 53 Ca 0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1ttn h LEU 53 Cb 0.55 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ttn h LEU 53 CO 0.00 0.20 -0.23 -0.74 -0.34 0.00 0.00 178.44 177.33 1ttn h HIS 54 N 0.32 0.44 -0.89 1.25 2.76 -1.02 0.53 115.15 118.55 1ttn h HIS 54 Ca 0.09 -0.16 0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1ttn h HIS 54 Cb -0.03 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.79 1ttn h HIS 54 CO -0.06 0.85 0.58 0.00 -1.30 0.00 0.00 177.93 177.99 1ttn h ALA 55 N 0.51 1.53 0.04 5.26 0.00 -1.30 0.45 119.26 125.75 1ttn h ALA 55 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1ttn h ALA 55 Cb 0.83 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ttn h ALA 55 CO 0.05 0.33 -1.50 0.00 0.00 0.00 0.00 179.25 178.13 1ttn n ALA 56 N -2.40 0.82 -0.06 0.00 0.00 0.24 -4.72 120.51 114.38 1ttn n ALA 56 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 1ttn n ALA 56 Cb 0.20 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.69 0.00 0.00 0.00 4.39 0.08 -3.50 114.58 114.86 1ttn h GLU 57 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1ttn h GLU 57 Cb 1.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1ttn h GLU 57 CO -0.13 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.13 1ttn n GLY 58 N 1.63 0.27 3.59 -3.84 0.00 0.16 -4.97 105.19 102.03 1ttn n GLY 58 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.26 4.88 0.50 1.61 1.01 -1.26 -4.83 120.40 122.04 1ttn s VAL 59 Ca 0.00 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.82 1ttn s VAL 59 Cb 0.00 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1ttn s VAL 59 CO 0.00 -0.25 0.70 -1.83 0.00 0.00 0.00 175.10 173.72 1ttn s GLU 60 N 2.75 2.70 0.16 2.72 4.04 -1.26 -2.50 118.70 127.31 1ttn s GLU 60 Ca 0.27 -0.87 -0.07 0.00 0.04 0.00 0.00 54.97 54.33 1ttn s GLU 60 Cb -0.14 -2.58 0.22 0.00 0.02 0.00 0.00 34.13 31.65 1ttn s GLU 60 CO 0.14 -0.51 0.94 -2.30 -1.84 0.00 0.00 175.26 171.68 1ttn n PRO 61 N -2.16 -0.09 -0.31 -4.83 -0.02 -1.26 0.14 135.00 126.47 1ttn n PRO 61 Ca 0.07 0.93 0.06 0.00 -2.02 0.00 0.00 63.50 62.54 1ttn n PRO 61 Cb 0.59 -1.39 0.22 0.00 -0.02 0.00 0.00 33.50 32.90 1ttn n PRO 61 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ttn h GLY 62 N 0.00 1.44 -1.98 -1.23 0.00 -1.95 -0.97 103.07 98.38 1ttn h GLY 62 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1ttn h GLY 62 CO -0.61 0.07 0.00 1.44 0.00 0.00 0.00 176.54 177.43 1ttn n SER 63 N -4.76 3.07 -3.96 0.19 7.64 0.37 -4.67 113.62 111.51 1ttn n SER 63 Ca 0.17 -1.99 -0.43 0.00 1.01 0.00 0.00 58.87 57.63 1ttn n SER 63 Cb 0.37 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1ttn n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ttn n GLN 64 N 1.36 4.37 -2.59 1.43 6.02 0.36 -2.95 117.38 125.38 1ttn n GLN 64 Ca 0.15 -4.37 -0.41 0.00 -0.01 0.00 0.00 57.00 52.36 1ttn n GLN 64 Cb 0.59 -2.59 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 1ttn n GLN 64 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ttn s ARG 65 N -2.27 3.36 0.14 -1.09 1.81 -0.90 -4.80 118.95 115.20 1ttn s ARG 65 Ca 0.33 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 53.33 1ttn s ARG 65 Cb 0.06 -4.69 -0.08 0.00 -0.45 0.00 0.00 34.95 29.79 1ttn s ARG 65 CO 0.08 -2.14 1.35 1.67 -0.68 0.00 0.00 175.30 175.59 1ttn s TRP 66 N 5.19 3.26 -0.23 -0.53 -2.14 -1.26 -1.44 118.94 121.79 1ttn s TRP 66 Ca 0.39 1.06 -0.03 0.00 2.66 0.00 0.00 56.10 60.17 1ttn s TRP 66 Cb -0.05 -3.64 0.12 0.00 -3.10 0.00 0.00 33.47 26.79 1ttn s TRP 66 CO 0.03 -2.17 0.32 -0.06 -2.66 0.00 0.00 176.95 172.42 1ttn s PHE 67 N 0.77 -0.64 -0.19 1.66 0.08 0.29 -2.28 117.98 117.67 1ttn s PHE 67 Ca 0.62 0.61 -0.04 0.00 0.12 0.00 0.00 56.93 58.23 1ttn s PHE 67 Cb -0.36 -0.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.95 1ttn s PHE 67 CO 0.33 -0.69 -0.03 0.12 -0.10 0.00 0.00 175.22 174.85 1ttn s PHE 68 N 2.47 3.00 -0.27 0.36 2.19 0.49 0.38 117.98 126.60 1ttn s PHE 68 Ca 0.11 -0.53 0.00 0.00 0.33 0.00 0.00 56.93 56.84 1ttn s PHE 68 Cb -0.15 -2.04 0.00 0.00 -1.31 0.00 0.00 43.02 39.52 1ttn s PHE 68 CO -0.15 -0.25 0.00 0.45 1.83 0.00 0.00 175.22 177.10 1ttn n SER 69 N 4.12 -5.63 0.00 6.13 2.88 -1.26 -1.52 113.62 118.34 1ttn n SER 69 Ca -0.17 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ttn n SER 69 Cb 0.52 -3.35 0.00 0.00 -0.75 0.00 0.00 64.21 60.63 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 0.41 1.25 3.13 0.46 0.00 -1.26 -5.10 105.19 104.07 1ttn n GLY 70 Ca -0.03 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.89 0.72 -0.31 1.61 0.52 -0.58 -5.10 118.95 114.91 1ttn s ARG 71 Ca 0.00 -1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 53.80 1ttn s ARG 71 Cb 0.00 -0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.23 1ttn s ARG 71 CO 0.00 0.00 1.73 -1.25 0.02 0.00 0.00 175.30 175.80 1ttn s PRO 72 N -3.03 3.45 0.60 3.54 0.04 -1.26 -0.38 135.00 137.97 1ttn s PRO 72 Ca 0.04 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1ttn s PRO 72 Cb -0.00 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 1ttn s PRO 72 CO -0.03 -1.71 1.07 -1.17 0.04 0.00 0.00 177.00 175.19 1ttn s LEU 73 N 6.40 3.51 0.58 -3.56 2.96 -0.97 -4.89 118.68 122.71 1ttn s LEU 73 Ca 0.77 1.86 -0.04 0.00 -0.22 0.00 0.00 54.13 56.49 1ttn s LEU 73 Cb -0.22 -4.54 0.02 0.00 0.50 0.00 0.00 46.19 41.95 1ttn s LEU 73 CO 0.33 -1.21 0.87 -0.89 -1.32 0.00 0.00 176.35 174.12 1ttn s THR 74 N -2.40 3.26 -1.10 3.68 2.01 -1.26 -4.84 115.64 114.99 1ttn s THR 74 Ca 0.64 -0.25 0.28 0.00 0.31 0.00 0.00 61.69 62.67 1ttn s THR 74 Cb -0.17 -3.29 0.20 0.00 0.01 0.00 0.00 72.50 69.25 1ttn s THR 74 CO 0.36 -0.27 1.74 -0.90 -0.69 0.00 0.00 174.62 174.87 1ttn n ASP 75 N -2.53 0.24 -2.40 3.53 5.68 -1.26 -3.81 116.55 115.99 1ttn n ASP 75 Ca 0.05 0.07 -0.24 0.00 -0.50 0.00 0.00 54.79 54.18 1ttn n ASP 75 Cb 0.59 -0.17 0.01 0.00 -1.14 0.00 0.00 41.12 40.40 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 -1.42 3.20 0.02 0.11 5.02 -1.26 0.10 118.16 123.93 1ttn n LYS 76 Ca 0.08 -4.28 -0.00 0.00 -2.02 0.00 0.00 58.31 52.09 1ttn n LYS 76 Cb 0.33 -2.14 -0.09 0.00 -0.02 0.00 0.00 35.03 33.11 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 -0.50 0.63 0.00 1.97 2.81 -1.25 -3.98 117.12 116.80 1ttn n MET 77 Ca 0.36 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1ttn n MET 77 Cb 0.75 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.85 0.00 0.06 0.03 0.00 -1.26 0.66 118.16 114.81 1ttn n LYS 78 Ca -0.11 0.53 0.05 0.00 0.00 0.00 0.00 58.31 58.78 1ttn n LYS 78 Cb 0.85 -1.46 0.25 0.00 0.00 0.00 0.00 35.03 34.66 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 -2.02 0.29 0.03 5.64 7.35 -1.25 -1.46 117.46 126.04 1ttn n PHE 79 Ca 0.00 0.15 0.01 0.00 -0.76 0.00 0.00 57.45 56.85 1ttn n PHE 79 Cb 0.00 -0.74 -0.08 0.00 0.35 0.00 0.00 39.48 39.01 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 -1.80 0.62 -0.05 -4.13 2.13 -0.52 -4.54 120.64 112.35 1ttn n GLU 80 Ca -0.00 0.21 -0.03 0.00 0.66 0.00 0.00 57.16 57.99 1ttn n GLU 80 Cb 0.03 -1.80 -0.01 0.00 0.27 0.00 0.00 31.44 29.93 1ttn n GLU 80 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ttn n GLU 81 N -2.86 0.29 -0.50 5.31 4.07 0.21 -4.95 120.64 122.22 1ttn n GLU 81 Ca -0.09 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 1ttn n GLU 81 Cb 0.82 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.91 1ttn n GLU 81 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ttn n LEU 82 N -3.73 0.33 -1.58 4.31 7.99 -0.71 -4.78 117.00 118.83 1ttn n LEU 82 Ca -0.05 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 55.99 1ttn n LEU 82 Cb 0.20 -0.57 0.33 0.00 -0.11 0.00 0.00 43.42 43.27 1ttn n LEU 82 CO 0.08 -0.16 0.85 0.29 -1.51 0.00 0.00 177.39 176.94 1ttn n LYS 83 N -2.00 3.94 -2.37 3.23 4.76 -1.26 -4.51 118.16 119.95 1ttn n LYS 83 Ca 0.00 -3.06 -0.24 0.00 -2.87 0.00 0.00 58.31 52.14 1ttn n LYS 83 Cb 0.00 -2.11 0.01 0.00 -1.84 0.00 0.00 35.03 31.09 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 0.04 2.28 -0.07 -0.18 -5.35 -1.26 -4.62 119.36 110.20 1ttn n ILE 84 Ca 0.29 -4.52 -0.08 0.00 -0.27 0.00 0.00 62.75 58.17 1ttn n ILE 84 Cb 1.14 -1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 37.98 1ttn n ILE 84 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1ttn h PRO 85 N 2.49 -0.22 0.00 6.28 0.11 -1.79 -3.39 132.00 135.48 1ttn h PRO 85 Ca 0.28 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1ttn h PRO 85 Cb 1.13 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ttn h PRO 85 CO 0.78 -0.15 -0.02 0.36 -0.21 0.00 0.00 178.00 178.76 1ttn n LYS 86 N -4.19 0.00 -0.03 1.05 2.85 -1.25 -2.86 118.16 113.73 1ttn n LYS 86 Ca -0.02 -0.04 -0.03 0.00 -1.05 0.00 0.00 58.31 57.16 1ttn n LYS 86 Cb 0.19 -0.03 -0.05 0.00 -0.65 0.00 0.00 35.03 34.50 1ttn n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1ttn n ASP 87 N 0.00 3.47 -4.78 -5.58 9.92 -1.26 -4.95 116.55 113.38 1ttn n ASP 87 Ca 0.00 -0.01 -0.38 0.00 -0.53 0.00 0.00 54.79 53.88 1ttn n ASP 87 Cb 0.51 0.55 -0.06 0.00 -0.64 0.00 0.00 41.12 41.47 1ttn n ASP 87 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ttn s TYR 88 N -2.15 3.67 -0.04 1.24 1.51 -1.26 -4.98 117.35 115.34 1ttn s TYR 88 Ca -0.04 1.78 -0.00 0.00 -1.01 0.00 0.00 57.07 57.80 1ttn s TYR 88 Cb 0.02 -2.98 0.03 0.00 -0.11 0.00 0.00 41.96 38.92 1ttn s TYR 88 CO 0.24 0.10 -0.01 0.54 -1.11 0.00 0.00 175.55 175.31 1ttn s VAL 89 N -1.54 0.30 0.22 0.71 0.11 -1.26 -2.24 120.40 116.71 1ttn s VAL 89 Ca 0.49 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 59.39 1ttn s VAL 89 Cb -0.21 -0.40 -0.08 0.00 -1.53 0.00 0.00 36.38 34.15 1ttn s VAL 89 CO 0.26 0.20 0.77 -0.69 -3.33 0.00 0.00 175.10 172.31 1ttn s VAL 90 N 1.30 4.46 0.18 2.04 1.01 0.26 -4.86 120.40 124.79 1ttn s VAL 90 Ca -0.06 1.48 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 1ttn s VAL 90 Cb -0.13 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1ttn s VAL 90 CO -0.02 0.29 0.59 -1.58 0.00 0.00 0.00 175.10 174.37 1ttn s GLN 91 N -1.74 4.00 0.02 2.72 -0.44 0.16 -1.80 119.66 122.58 1ttn s GLN 91 Ca 0.42 0.53 0.02 0.00 -2.50 0.00 0.00 55.36 53.83 1ttn s GLN 91 Cb -0.19 -2.86 -0.01 0.00 -1.64 0.00 0.00 33.01 28.31 1ttn s GLN 91 CO 0.23 0.43 -0.06 0.14 0.50 0.00 0.00 175.29 176.52 1ttn s VAL 92 N -1.54 0.45 -0.16 1.34 -7.23 -0.82 0.10 120.40 112.54 1ttn s VAL 92 Ca 0.41 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1ttn s VAL 92 Cb -0.15 -0.46 0.02 0.00 0.56 0.00 0.00 36.38 36.36 1ttn s VAL 92 CO 0.20 -0.13 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.06 1ttn s ILE 93 N -0.73 1.76 -0.33 -0.62 1.01 -0.52 -2.08 121.20 119.69 1ttn s ILE 93 Ca -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1ttn s ILE 93 Cb -0.06 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.89 1ttn s ILE 93 CO 0.00 0.49 0.08 0.54 0.00 0.00 0.00 174.94 176.05 1ttn s VAL 94 N 1.39 1.46 -0.29 2.92 0.11 -1.15 -2.11 120.40 122.72 1ttn s VAL 94 Ca 0.04 -1.83 0.08 0.00 -2.93 0.00 0.00 61.98 57.35 1ttn s VAL 94 Cb -0.13 -2.09 0.48 0.00 -1.53 0.00 0.00 36.38 33.10 1ttn s VAL 94 CO -0.11 -0.65 1.39 -0.24 -3.33 0.00 0.00 175.10 172.16 1ttn n SER 95 N 4.56 2.90 -2.56 3.54 2.88 -1.26 -4.65 113.62 119.03 1ttn n SER 95 Ca 0.01 -3.82 -0.22 0.00 -1.33 0.00 0.00 58.87 53.51 1ttn n SER 95 Cb 0.42 -0.58 0.01 0.00 -0.75 0.00 0.00 64.21 63.30 1ttn n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ttn n GLN 96 N -1.05 2.73 0.22 -1.46 6.02 -1.26 -4.83 117.38 117.74 1ttn n GLN 96 Ca 0.33 -4.14 0.12 0.00 -0.01 0.00 0.00 57.00 53.29 1ttn n GLN 96 Cb 0.93 -1.95 0.27 0.00 1.02 0.00 0.00 30.24 30.50 1ttn n GLN 96 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ttn h PRO 97 N 2.72 0.00 0.06 -1.09 0.13 -1.85 -3.32 132.00 128.66 1ttn h PRO 97 Ca 0.18 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.94 1ttn h PRO 97 Cb 0.98 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 1ttn h PRO 97 CO 0.74 0.08 -2.14 1.55 -0.23 0.00 0.00 178.00 178.00 1ttn n VAL 98 N -3.13 1.64 -4.95 1.56 3.14 -1.26 -4.93 118.33 110.40 1ttn n VAL 98 Ca 0.03 -0.67 -0.28 0.00 -2.96 0.00 0.00 64.34 60.47 1ttn n VAL 98 Cb 0.51 -1.45 -0.16 0.00 -1.06 0.00 0.00 33.84 31.68 1ttn n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ttn s GLN 99 N -2.55 1.99 0.00 1.45 -2.07 -1.25 -5.30 119.66 111.93 1ttn s GLN 99 Ca -0.23 -0.69 0.00 0.00 -1.82 0.00 0.00 55.36 52.62 1ttn s GLN 99 Cb 0.07 -1.71 0.00 0.00 -1.09 0.00 0.00 33.01 30.28 1ttn s GLN 99 CO 0.73 0.28 0.00 -1.71 -1.32 0.00 0.00 175.29 173.27