#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 0.66 -3.55 1.61 4.01 -1.26 -5.06 117.16 113.57 1ttn n TYR 22 Ca 0.00 -1.37 -0.16 0.00 -0.16 0.00 0.00 57.90 56.20 1ttn n TYR 22 Cb 0.00 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 1ttn n TYR 22 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1ttn s GLU 23 N -2.25 0.95 0.04 -0.72 -1.05 -1.26 -4.98 118.70 109.42 1ttn s GLU 23 Ca 0.37 0.38 0.01 0.00 -0.15 0.00 0.00 54.97 55.58 1ttn s GLU 23 Cb 0.37 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 34.49 1ttn s GLU 23 CO -0.08 -0.26 -0.05 0.00 0.95 0.00 0.00 175.26 175.81 1ttn s GLN 25 N -2.01 0.61 0.12 0.00 -0.21 -1.22 0.38 119.66 117.32 1ttn s GLN 25 Ca -0.09 1.31 0.07 0.00 0.02 0.00 0.00 55.36 56.67 1ttn s GLN 25 Cb -0.06 0.51 -0.04 0.00 1.00 0.00 0.00 33.01 34.42 1ttn s GLN 25 CO -0.02 -0.18 -0.17 -0.48 -2.12 0.00 0.00 175.29 172.32 1ttn s LEU 26 N 2.31 2.36 0.01 2.90 2.34 -0.92 -1.64 118.68 126.04 1ttn s LEU 26 Ca -0.08 -0.75 -0.20 0.00 0.06 0.00 0.00 54.13 53.16 1ttn s LEU 26 Cb -0.09 -0.68 -0.06 0.00 -0.56 0.00 0.00 46.19 44.80 1ttn s LEU 26 CO -0.19 -0.06 0.58 -0.13 -1.06 0.00 0.00 176.35 175.49 1ttn s ARG 27 N -2.34 4.27 -0.20 1.48 0.52 -0.98 -0.83 118.95 120.87 1ttn s ARG 27 Ca 0.08 0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 55.99 1ttn s ARG 27 Cb -0.07 -3.31 0.01 0.00 0.52 0.00 0.00 34.95 32.09 1ttn s ARG 27 CO 0.04 0.45 -0.12 -0.51 0.02 0.00 0.00 175.30 175.17 1ttn s LEU 28 N -0.45 2.54 -0.43 2.53 2.01 -0.76 0.46 118.68 124.59 1ttn s LEU 28 Ca 0.30 -0.57 -0.08 0.00 0.01 0.00 0.00 54.13 53.79 1ttn s LEU 28 Cb -0.18 -1.60 0.09 0.00 0.01 0.00 0.00 46.19 44.50 1ttn s LEU 28 CO 0.17 -0.02 0.26 0.00 1.01 0.00 0.00 176.35 177.78 1ttn s ARG 29 N 1.37 2.51 0.30 1.70 1.70 -0.94 -1.01 118.95 124.57 1ttn s ARG 29 Ca 0.05 -1.56 -0.14 0.00 -0.47 0.00 0.00 55.73 53.60 1ttn s ARG 29 Cb -0.14 -3.77 -0.09 0.00 -0.57 0.00 0.00 34.95 30.38 1ttn s ARG 29 CO -0.08 -1.01 0.71 -0.51 -1.08 0.00 0.00 175.30 173.32 1ttn s LEU 30 N 1.38 4.09 0.66 -1.89 2.01 0.17 -1.89 118.68 123.21 1ttn s LEU 30 Ca 0.04 1.23 0.30 0.00 0.01 0.00 0.00 54.13 55.70 1ttn s LEU 30 Cb -0.24 -4.00 1.60 0.00 0.01 0.00 0.00 46.19 43.57 1ttn s LEU 30 CO 0.01 -0.18 1.91 -1.28 1.01 0.00 0.00 176.35 177.82 1ttn h SER 31 N 2.34 0.00 -0.31 2.29 0.87 -1.81 0.89 113.55 117.82 1ttn h SER 31 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1ttn h SER 31 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1ttn h SER 31 CO 0.66 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 178.03 1ttn n THR 32 N -2.92 0.42 -2.33 2.23 5.66 -1.26 -4.86 114.28 111.21 1ttn n THR 32 Ca -0.02 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1ttn n THR 32 Cb 0.40 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1ttn n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ttn n GLY 33 N 1.04 0.95 3.18 1.09 0.00 0.30 -5.02 105.19 106.73 1ttn n GLY 33 Ca 0.12 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.67 2.95 -0.68 1.61 2.36 -0.87 -4.85 119.74 115.59 1ttn s LYS 34 Ca 0.00 -2.51 -0.08 0.00 -2.55 0.00 0.00 55.97 50.83 1ttn s LYS 34 Cb 0.00 -3.99 0.18 0.00 -1.05 0.00 0.00 37.83 32.97 1ttn s LYS 34 CO 0.00 -1.22 0.55 0.16 1.55 0.00 0.00 175.35 176.40 1ttn s ASP 35 N 1.22 5.87 -0.08 1.43 -4.77 -1.13 0.42 116.67 119.64 1ttn s ASP 35 Ca 0.17 -2.68 0.01 0.00 -3.30 0.00 0.00 52.55 46.76 1ttn s ASP 35 Cb -0.17 -2.01 0.02 0.00 -1.09 0.00 0.00 42.92 39.67 1ttn s ASP 35 CO -0.05 -0.49 -0.11 -0.22 0.70 0.00 0.00 175.17 175.00 1ttn s LEU 36 N 0.19 1.51 -0.55 2.11 1.98 -0.18 -4.84 118.68 118.91 1ttn s LEU 36 Ca 0.16 -0.29 -0.28 0.00 -2.89 0.00 0.00 54.13 50.83 1ttn s LEU 36 Cb -0.17 -0.81 0.03 0.00 0.66 0.00 0.00 46.19 45.90 1ttn s LEU 36 CO -0.05 -0.01 1.15 -0.75 -1.89 0.00 0.00 176.35 174.80 1ttn s LYS 37 N 0.94 3.55 0.15 1.98 2.20 -1.26 -1.82 119.74 125.49 1ttn s LYS 37 Ca -0.09 0.28 -0.21 0.00 -0.36 0.00 0.00 55.97 55.58 1ttn s LYS 37 Cb -0.15 -3.99 -0.08 0.00 -1.51 0.00 0.00 37.83 32.10 1ttn s LYS 37 CO 0.00 -1.58 0.68 -1.17 -0.36 0.00 0.00 175.35 172.92 1ttn s LEU 38 N 4.72 4.47 0.42 5.43 2.96 -0.01 -4.83 118.68 131.85 1ttn s LEU 38 Ca 0.43 1.41 -0.22 0.00 -0.22 0.00 0.00 54.13 55.54 1ttn s LEU 38 Cb -0.08 -3.27 -0.11 0.00 0.50 0.00 0.00 46.19 43.24 1ttn s LEU 38 CO 0.26 0.16 0.95 0.68 -1.32 0.00 0.00 176.35 177.09 1ttn s VAL 39 N -1.28 4.36 0.26 1.68 -7.23 -1.26 -2.16 120.40 114.77 1ttn s VAL 39 Ca 0.36 1.53 -0.21 0.00 -1.81 0.00 0.00 61.98 61.85 1ttn s VAL 39 Cb -0.19 -3.65 0.03 0.00 0.56 0.00 0.00 36.38 33.12 1ttn s VAL 39 CO 0.22 -0.26 0.69 0.68 -0.31 0.00 0.00 175.10 176.12 1ttn s VAL 40 N -2.11 0.00 -0.30 1.32 -7.23 0.16 -4.94 120.40 107.31 1ttn s VAL 40 Ca 0.61 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1ttn s VAL 40 Cb -0.10 -1.88 0.15 0.00 0.56 0.00 0.00 36.38 35.11 1ttn s VAL 40 CO 0.14 -0.00 0.38 0.00 -0.31 0.00 0.00 175.10 175.32 1ttn s ARG 41 N -3.90 0.42 0.00 4.82 1.70 -1.26 0.89 118.95 121.61 1ttn s ARG 41 Ca 0.10 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.33 1ttn s ARG 41 Cb -0.05 -0.42 0.00 0.00 -0.57 0.00 0.00 34.95 33.91 1ttn s ARG 41 CO 0.05 -1.05 0.00 -1.13 -1.08 0.00 0.00 175.30 172.08 1ttn n SER 42 N 5.23 0.00 0.06 -2.89 3.41 -1.26 -2.00 113.62 116.17 1ttn n SER 42 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 1ttn n SER 42 Cb 0.48 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.71 1ttn n SER 42 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ttn n THR 43 N 0.00 0.35 -1.31 6.66 -1.04 -1.26 -3.27 114.28 114.41 1ttn n THR 43 Ca 0.00 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.49 1ttn n THR 43 Cb 0.00 -0.24 0.05 0.00 -1.82 0.00 0.00 70.33 68.32 1ttn n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ttn n ASP 44 N -2.04 7.23 -4.34 8.00 9.92 -0.85 -4.69 116.55 129.78 1ttn n ASP 44 Ca 0.04 -3.54 -0.29 0.00 -0.53 0.00 0.00 54.79 50.47 1ttn n ASP 44 Cb 0.42 -1.04 0.25 0.00 -0.64 0.00 0.00 41.12 40.11 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 -0.34 0.00 -0.26 -3.53 -2.24 -1.25 -2.84 114.28 103.81 1ttn n THR 45 Ca 0.51 -0.43 0.21 0.00 -2.27 0.00 0.00 64.05 62.07 1ttn n THR 45 Cb 0.56 -0.92 0.33 0.00 -2.10 0.00 0.00 70.33 68.21 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 -5.00 -0.05 0.00 2.28 0.31 -1.26 0.60 118.33 115.21 1ttn n VAL 46 Ca 0.02 0.71 -0.00 0.00 -0.01 0.00 0.00 64.34 65.07 1ttn n VAL 46 Cb 0.56 -1.18 -0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 -0.00 -1.01 3.52 3.04 -1.78 1.13 116.94 121.84 1ttn h PHE 47 Ca 0.40 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.43 1ttn h PHE 47 Cb 1.47 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.91 1ttn h PHE 47 CO -0.00 -0.00 0.65 0.45 -2.02 0.00 0.00 178.31 177.38 1ttn h HIS 48 N -0.00 1.19 -0.70 0.41 3.86 -0.76 0.78 115.15 119.93 1ttn h HIS 48 Ca -0.00 0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.40 1ttn h HIS 48 Cb 0.00 -0.39 -0.12 0.00 1.06 0.00 0.00 27.41 27.97 1ttn h HIS 48 CO 0.17 0.58 0.04 1.98 0.86 0.00 0.00 177.93 181.57 1ttn h MET 49 N 1.14 0.14 -0.18 2.45 1.85 0.32 1.03 114.93 121.67 1ttn h MET 49 Ca 0.45 -0.01 -0.11 0.00 -0.61 0.00 0.00 59.70 59.43 1ttn h MET 49 Cb 0.25 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 1ttn h MET 49 CO -0.20 0.09 -0.34 0.87 -0.40 0.00 0.00 176.91 176.93 1ttn h LYS 50 N 0.14 0.38 -0.41 0.39 1.57 0.53 0.66 116.57 119.83 1ttn h LYS 50 Ca 0.38 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 1ttn h LYS 50 Cb 0.66 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1ttn h LYS 50 CO -0.59 0.68 0.11 -0.09 -0.57 0.00 0.00 179.45 179.00 1ttn h ARG 51 N 0.33 0.24 0.00 3.15 2.43 0.71 -0.51 114.38 120.73 1ttn h ARG 51 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ttn h ARG 51 Cb 0.77 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1ttn h ARG 51 CO 0.06 0.16 -0.34 0.00 -1.51 0.00 0.00 179.97 178.34 1ttn h ARG 52 N 0.25 0.00 -0.68 0.20 3.08 -0.14 -2.72 114.38 114.37 1ttn h ARG 52 Ca 0.19 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1ttn h ARG 52 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1ttn h ARG 52 CO -0.23 0.00 0.45 1.25 -1.07 0.00 0.00 179.97 180.37 1ttn h LEU 53 N 0.00 0.77 0.17 3.04 5.85 0.18 0.95 115.31 126.27 1ttn h LEU 53 Ca 0.00 -0.02 -0.29 0.00 0.84 0.00 0.00 57.88 58.41 1ttn h LEU 53 Cb 0.99 -0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.84 1ttn h LEU 53 CO 0.00 0.55 -1.39 1.12 -0.34 0.00 0.00 178.44 178.39 1ttn h HIS 54 N 0.91 0.67 0.00 1.25 2.07 -1.23 -2.66 115.15 116.14 1ttn h HIS 54 Ca 0.25 -0.49 -0.01 0.00 -2.85 0.00 0.00 60.37 57.28 1ttn h HIS 54 Cb -0.08 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 29.87 1ttn h HIS 54 CO -0.00 1.54 -0.06 0.00 -3.07 0.00 0.00 177.93 176.34 1ttn h ALA 55 N 0.07 1.66 0.00 6.11 0.00 -1.11 0.84 119.26 126.83 1ttn h ALA 55 Ca -0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ttn h ALA 55 Cb 1.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1ttn h ALA 55 CO 0.16 0.07 -0.08 0.00 0.00 0.00 0.00 179.25 179.40 1ttn h ALA 56 N 1.94 0.00 0.11 0.00 0.00 0.85 -3.42 119.26 118.74 1ttn h ALA 56 Ca -0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 1ttn h ALA 56 Cb 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ttn h ALA 56 CO 0.01 0.08 -1.95 -0.85 0.00 0.00 0.00 179.25 176.54 1ttn n GLU 57 N -3.66 0.75 0.00 0.00 -0.00 -1.00 -5.00 120.64 111.72 1ttn n GLU 57 Ca -0.01 0.27 0.00 0.00 -0.00 0.00 0.00 57.16 57.42 1ttn n GLU 57 Cb 0.04 -1.72 0.00 0.00 -0.00 0.00 0.00 31.44 29.76 1ttn n GLU 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ttn n GLY 58 N 1.94 1.21 3.29 -1.84 0.00 0.29 -5.03 105.19 105.05 1ttn n GLY 58 Ca -0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1ttn n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ttn n VAL 59 N 0.00 4.27 -0.05 1.61 3.14 -1.23 -4.70 118.33 121.36 1ttn n VAL 59 Ca 0.00 -4.60 -0.10 0.00 -2.96 0.00 0.00 64.34 56.68 1ttn n VAL 59 Cb 0.00 -2.43 -0.15 0.00 -1.06 0.00 0.00 33.84 30.20 1ttn n VAL 59 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1ttn n GLU 60 N 5.22 0.66 0.00 1.45 0.28 -1.26 -3.75 120.64 123.24 1ttn n GLU 60 Ca 0.38 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 1ttn n GLU 60 Cb 0.41 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.60 1ttn n GLU 60 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1ttn n PRO 61 N -2.96 1.27 0.00 3.44 -0.04 -1.26 -4.81 135.00 130.64 1ttn n PRO 61 Ca -0.25 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.23 1ttn n PRO 61 Cb 1.09 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.65 1ttn n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ttn n GLY 62 N 4.08 -0.11 0.00 0.55 0.00 -1.26 -2.71 105.19 105.75 1ttn n GLY 62 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1ttn n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ttn n SER 63 N -0.99 0.00 -4.21 1.61 7.64 -1.26 -4.32 113.62 112.09 1ttn n SER 63 Ca 0.03 -1.02 -0.44 0.00 1.01 0.00 0.00 58.87 58.44 1ttn n SER 63 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.73 3.83 -3.02 1.43 6.02 -1.10 -3.22 117.38 120.59 1ttn n GLN 64 Ca 0.07 -4.32 -0.45 0.00 -0.01 0.00 0.00 57.00 52.30 1ttn n GLN 64 Cb 0.03 -2.64 -0.03 0.00 1.02 0.00 0.00 30.24 28.62 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 -1.23 3.48 -0.06 -1.09 0.52 -0.85 -4.90 118.95 114.83 1ttn s ARG 65 Ca 0.33 -1.76 -0.30 0.00 -0.52 0.00 0.00 55.73 53.49 1ttn s ARG 65 Cb -0.02 -4.67 -0.03 0.00 0.52 0.00 0.00 34.95 30.74 1ttn s ARG 65 CO -0.00 -1.65 1.18 1.67 0.02 0.00 0.00 175.30 176.51 1ttn s TRP 66 N 2.32 3.24 -0.19 -0.53 -2.14 -1.26 -1.01 118.94 119.37 1ttn s TRP 66 Ca 0.26 1.27 -0.11 0.00 2.66 0.00 0.00 56.10 60.17 1ttn s TRP 66 Cb -0.10 -3.39 0.06 0.00 -3.10 0.00 0.00 33.47 26.94 1ttn s TRP 66 CO -0.06 -1.17 0.46 -0.06 -2.66 0.00 0.00 176.95 173.46 1ttn s PHE 67 N 2.14 -0.66 -0.29 1.66 0.40 0.61 -2.21 117.98 119.63 1ttn s PHE 67 Ca 0.55 1.41 -0.06 0.00 -0.60 0.00 0.00 56.93 58.23 1ttn s PHE 67 Cb -0.24 0.31 0.02 0.00 0.51 0.00 0.00 43.02 43.61 1ttn s PHE 67 CO 0.22 -0.35 0.06 0.12 0.70 0.00 0.00 175.22 175.97 1ttn s PHE 68 N 1.24 3.15 -0.30 0.36 5.36 0.23 0.20 117.98 128.22 1ttn s PHE 68 Ca -0.08 -1.12 0.00 0.00 -0.96 0.00 0.00 56.93 54.77 1ttn s PHE 68 Cb -0.07 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1ttn s PHE 68 CO -0.12 -0.62 0.00 0.43 -1.46 0.00 0.00 175.22 173.46 1ttn n SER 69 N 4.83 -5.25 0.00 6.13 7.64 -1.26 -1.71 113.62 124.00 1ttn n SER 69 Ca -0.14 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ttn n SER 69 Cb 0.47 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.67 1ttn n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ttn n GLY 70 N -0.10 2.60 3.85 0.23 0.00 -1.26 -5.09 105.19 105.41 1ttn n GLY 70 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.32 3.99 -0.22 1.61 1.81 -0.69 -4.99 118.95 120.14 1ttn s ARG 71 Ca 0.00 0.53 -0.29 0.00 -1.72 0.00 0.00 55.73 54.25 1ttn s ARG 71 Cb 0.00 -2.80 -0.03 0.00 -0.45 0.00 0.00 34.95 31.67 1ttn s ARG 71 CO 0.00 0.39 1.62 -1.25 -0.68 0.00 0.00 175.30 175.39 1ttn s PRO 72 N -2.27 3.78 1.00 3.54 0.04 -1.26 0.74 135.00 140.56 1ttn s PRO 72 Ca 0.43 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 1ttn s PRO 72 Cb -0.14 -4.04 0.19 0.00 0.04 0.00 0.00 34.50 30.55 1ttn s PRO 72 CO 0.20 -1.31 1.10 -0.51 0.04 0.00 0.00 177.00 176.51 1ttn s LEU 73 N 5.26 1.58 0.51 -3.56 1.43 -0.94 -4.86 118.68 118.10 1ttn s LEU 73 Ca 0.72 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 1ttn s LEU 73 Cb -0.25 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1ttn s LEU 73 CO 0.29 -3.12 0.22 0.42 0.23 0.00 0.00 176.35 174.39 1ttn s THR 74 N -3.01 1.57 -0.29 5.49 -4.23 -1.26 -4.91 115.64 109.01 1ttn s THR 74 Ca 0.65 -1.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 1ttn s THR 74 Cb -0.18 -2.29 0.36 0.00 1.34 0.00 0.00 72.50 71.73 1ttn s THR 74 CO 0.57 0.00 1.43 -0.90 -0.54 0.00 0.00 174.62 175.18 1ttn n ASP 75 N -1.49 3.41 -1.86 3.99 5.75 -1.26 -3.80 116.55 121.28 1ttn n ASP 75 Ca -0.08 -2.79 -0.03 0.00 -0.01 0.00 0.00 54.79 51.88 1ttn n ASP 75 Cb 0.65 -0.67 0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1ttn n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ttn n LYS 76 N -0.26 0.68 0.06 0.11 5.02 -1.26 -4.46 118.16 118.06 1ttn n LYS 76 Ca 0.29 -1.38 -0.13 0.00 -2.02 0.00 0.00 58.31 55.07 1ttn n LYS 76 Cb 1.06 0.25 -0.13 0.00 -0.02 0.00 0.00 35.03 36.19 1ttn n LYS 76 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1ttn h MET 77 N 0.70 0.15 0.12 1.97 2.86 -1.92 -3.18 114.93 115.64 1ttn h MET 77 Ca -0.46 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 56.92 1ttn h MET 77 Cb 1.40 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 33.15 1ttn h MET 77 CO -0.18 1.02 -0.08 0.87 1.06 0.00 0.00 176.91 179.61 1ttn h LYS 78 N 0.04 -0.19 0.00 1.72 1.79 -1.88 0.83 116.57 118.88 1ttn h LYS 78 Ca -0.16 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1ttn h LYS 78 Cb 1.94 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.63 1ttn h LYS 78 CO 0.15 -0.12 0.00 0.34 -1.08 0.00 0.00 179.45 178.74 1ttn n PHE 79 N -2.71 0.35 -0.02 -1.35 7.35 -1.20 -1.76 117.46 118.12 1ttn n PHE 79 Ca -0.02 0.16 -0.06 0.00 -0.76 0.00 0.00 57.45 56.76 1ttn n PHE 79 Cb 0.08 -0.75 -0.13 0.00 0.35 0.00 0.00 39.48 39.03 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 -1.84 0.64 -0.06 -4.13 2.13 -0.66 -4.59 120.64 112.12 1ttn n GLU 80 Ca 0.01 0.23 -0.05 0.00 0.66 0.00 0.00 57.16 58.02 1ttn n GLU 80 Cb 0.11 -1.76 -0.02 0.00 0.27 0.00 0.00 31.44 30.05 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 -2.95 0.41 -0.89 5.31 4.07 0.28 -4.94 120.64 121.93 1ttn n GLU 81 Ca -0.16 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 1ttn n GLU 81 Cb 0.99 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.84 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 -4.30 0.75 -0.56 4.31 7.99 -0.72 -4.77 117.00 119.70 1ttn n LEU 82 Ca -0.07 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.02 1ttn n LEU 82 Cb 0.27 -1.72 0.04 0.00 -0.11 0.00 0.00 43.42 41.89 1ttn n LEU 82 CO 0.11 -0.63 0.40 0.29 -1.51 0.00 0.00 177.39 176.05 1ttn n LYS 83 N -0.63 1.57 -3.16 3.23 4.76 -1.26 -4.70 118.16 117.97 1ttn n LYS 83 Ca 0.00 -1.21 -0.39 0.00 -2.87 0.00 0.00 58.31 53.84 1ttn n LYS 83 Cb 0.26 -1.33 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 1ttn n LYS 83 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ttn n ILE 84 N 0.45 4.45 0.14 -0.18 5.41 -1.26 -4.59 119.36 123.79 1ttn n ILE 84 Ca 0.09 -5.69 0.02 0.00 1.00 0.00 0.00 62.75 58.17 1ttn n ILE 84 Cb 0.41 -2.13 0.14 0.00 -0.71 0.00 0.00 39.64 37.35 1ttn n ILE 84 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1ttn h PRO 85 N 5.24 0.00 0.00 0.38 0.13 -1.84 -3.24 132.00 132.68 1ttn h PRO 85 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1ttn h PRO 85 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1ttn h PRO 85 CO 1.17 0.56 0.00 0.36 -0.23 0.00 0.00 178.00 179.86 1ttn n LYS 86 N -3.44 0.00 0.19 0.86 -0.00 -0.65 -3.77 118.16 111.34 1ttn n LYS 86 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.20 1ttn n LYS 86 Cb 0.67 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.63 1ttn n LYS 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1ttn h ASP 87 N 0.00 -0.45 -3.88 -5.58 3.58 -1.88 -3.39 116.42 104.83 1ttn h ASP 87 Ca 0.00 -0.11 -0.56 0.00 0.42 0.00 0.00 57.03 56.78 1ttn h ASP 87 Cb 0.00 0.12 0.17 0.00 1.72 0.00 0.00 39.33 41.34 1ttn h ASP 87 CO 0.00 -0.02 0.23 -1.22 -2.88 0.00 0.00 179.24 175.35 1ttn n TYR 88 N -5.15 1.07 -3.81 0.28 4.02 -1.26 -4.83 117.16 107.49 1ttn n TYR 88 Ca -0.09 0.41 -0.13 0.00 -0.01 0.00 0.00 57.90 58.08 1ttn n TYR 88 Cb 0.27 -2.14 -0.14 0.00 -0.02 0.00 0.00 39.34 37.31 1ttn n TYR 88 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ttn s VAL 89 N -1.70 -0.02 -0.20 -0.72 0.11 -1.26 -2.32 120.40 114.29 1ttn s VAL 89 Ca 0.76 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.74 1ttn s VAL 89 Cb -0.36 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1ttn s VAL 89 CO 0.47 0.04 0.42 -0.69 -3.33 0.00 0.00 175.10 172.01 1ttn s VAL 90 N 0.54 5.19 -0.32 2.04 1.01 0.17 -4.59 120.40 124.44 1ttn s VAL 90 Ca -0.04 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 1ttn s VAL 90 Cb -0.06 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1ttn s VAL 90 CO -0.02 0.25 0.82 -1.58 0.00 0.00 0.00 175.10 174.56 1ttn s GLN 91 N 1.31 3.93 0.40 2.72 -0.44 0.55 -2.23 119.66 125.90 1ttn s GLN 91 Ca 0.20 0.59 0.08 0.00 -2.50 0.00 0.00 55.36 53.72 1ttn s GLN 91 Cb -0.15 -3.74 -0.02 0.00 -1.64 0.00 0.00 33.01 27.46 1ttn s GLN 91 CO 0.08 -0.73 0.36 0.14 0.50 0.00 0.00 175.29 175.64 1ttn s VAL 92 N 3.06 2.86 -0.05 1.34 -7.23 -0.79 -0.28 120.40 119.30 1ttn s VAL 92 Ca 0.34 -1.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 1ttn s VAL 92 Cb -0.14 -3.04 0.03 0.00 0.56 0.00 0.00 36.38 33.79 1ttn s VAL 92 CO 0.14 -0.04 0.02 -0.63 -0.31 0.00 0.00 175.10 174.28 1ttn s ILE 93 N -2.43 0.14 -0.30 -0.62 1.01 -0.18 -3.28 121.20 115.54 1ttn s ILE 93 Ca 0.47 0.22 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 1ttn s ILE 93 Cb -0.04 -0.32 0.10 0.00 0.01 0.00 0.00 42.46 42.22 1ttn s ILE 93 CO 0.28 0.20 0.12 0.54 0.00 0.00 0.00 174.94 176.08 1ttn s VAL 94 N 1.75 0.27 -0.38 2.92 0.11 -1.20 -2.01 120.40 121.87 1ttn s VAL 94 Ca 0.01 -1.03 0.12 0.00 -2.93 0.00 0.00 61.98 58.15 1ttn s VAL 94 Cb -0.13 -1.23 0.37 0.00 -1.53 0.00 0.00 36.38 33.87 1ttn s VAL 94 CO -0.03 -0.72 0.78 -1.20 -3.33 0.00 0.00 175.10 170.60 1ttn n SER 95 N 5.05 1.24 -4.53 3.54 7.64 -1.26 -4.37 113.62 120.94 1ttn n SER 95 Ca -0.04 -3.03 -0.43 0.00 1.01 0.00 0.00 58.87 56.39 1ttn n SER 95 Cb 0.42 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 62.97 1ttn n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ttn s GLN 96 N -2.63 3.36 0.24 1.43 -2.07 -1.26 -4.91 119.66 113.83 1ttn s GLN 96 Ca 0.39 -0.21 0.11 0.00 -1.82 0.00 0.00 55.36 53.83 1ttn s GLN 96 Cb 0.36 -3.98 0.20 0.00 -1.09 0.00 0.00 33.01 28.50 1ttn s GLN 96 CO -0.07 -1.23 1.51 -1.00 -1.32 0.00 0.00 175.29 173.19 1ttn h PRO 97 N 9.07 0.00 0.00 9.60 0.13 -2.03 -3.40 132.00 145.37 1ttn h PRO 97 Ca -0.25 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 1ttn h PRO 97 Cb 1.08 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.10 1ttn h PRO 97 CO 1.00 0.69 -0.21 1.55 -0.23 0.00 0.00 178.00 180.79 1ttn n VAL 98 N -3.56 0.00 -2.28 1.56 3.14 -1.26 -5.09 118.33 110.83 1ttn n VAL 98 Ca -0.00 -0.55 -0.03 0.00 -2.96 0.00 0.00 64.34 60.79 1ttn n VAL 98 Cb 0.71 0.74 -0.03 0.00 -1.06 0.00 0.00 33.84 34.20 1ttn n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ttn n GLN 99 N -0.86 -3.83 0.00 1.45 6.02 -1.26 -5.26 117.38 113.64 1ttn n GLN 99 Ca -0.16 2.95 0.10 0.00 -0.01 0.00 0.00 57.00 59.88 1ttn n GLN 99 Cb 0.73 -4.15 0.58 0.00 1.02 0.00 0.00 30.24 28.43 1ttn n GLN 99 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14