#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttn s TYR 22 N 0.00 3.16 0.09 1.61 5.04 -1.26 -5.09 117.35 120.90 1ttn s TYR 22 Ca 0.00 -0.16 0.07 0.00 -2.44 0.00 0.00 57.07 54.54 1ttn s TYR 22 Cb 0.00 -2.27 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 1ttn s TYR 22 CO 0.00 -0.22 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.58 1ttn s GLU 23 N 1.51 1.08 0.37 4.97 0.41 -1.26 -5.01 118.70 120.76 1ttn s GLU 23 Ca 0.06 -1.09 0.08 0.00 -0.41 0.00 0.00 54.97 53.61 1ttn s GLU 23 Cb -0.15 -1.27 -0.05 0.00 -1.78 0.00 0.00 34.13 30.88 1ttn s GLU 23 CO 0.06 0.30 0.13 0.00 -0.49 0.00 0.00 175.26 175.25 1ttn s GLN 25 N -3.84 0.44 0.01 0.00 -2.07 -1.25 -0.44 119.66 112.51 1ttn s GLN 25 Ca 0.39 0.72 0.05 0.00 -1.82 0.00 0.00 55.36 54.70 1ttn s GLN 25 Cb 0.01 0.11 -0.02 0.00 -1.09 0.00 0.00 33.01 32.02 1ttn s GLN 25 CO 0.22 -0.09 -0.16 -1.17 -1.32 0.00 0.00 175.29 172.77 1ttn s LEU 26 N 1.21 2.09 0.27 2.60 0.20 -0.90 -2.39 118.68 121.76 1ttn s LEU 26 Ca -0.07 -0.37 -0.17 0.00 0.69 0.00 0.00 54.13 54.21 1ttn s LEU 26 Cb -0.04 -0.77 -0.08 0.00 -0.43 0.00 0.00 46.19 44.87 1ttn s LEU 26 CO -0.14 0.14 0.71 -0.13 -0.29 0.00 0.00 176.35 176.64 1ttn s ARG 27 N -0.73 4.09 0.15 1.98 0.52 -0.97 -1.55 118.95 122.44 1ttn s ARG 27 Ca 0.05 0.72 0.11 0.00 -0.52 0.00 0.00 55.73 56.09 1ttn s ARG 27 Cb -0.07 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1ttn s ARG 27 CO 0.00 0.28 -0.24 -0.51 0.02 0.00 0.00 175.30 174.85 1ttn s LEU 28 N -2.51 2.46 -0.31 2.53 2.01 0.25 0.11 118.68 123.21 1ttn s LEU 28 Ca 0.48 -0.74 -0.01 0.00 0.01 0.00 0.00 54.13 53.88 1ttn s LEU 28 Cb -0.13 -1.29 0.10 0.00 0.01 0.00 0.00 46.19 44.88 1ttn s LEU 28 CO 0.19 0.16 0.10 -0.60 1.01 0.00 0.00 176.35 177.21 1ttn s ARG 29 N -2.29 0.73 0.20 1.70 3.52 -0.62 -1.49 118.95 120.70 1ttn s ARG 29 Ca 0.17 -1.08 -0.18 0.00 -0.13 0.00 0.00 55.73 54.51 1ttn s ARG 29 Cb -0.09 -2.01 -0.08 0.00 -1.56 0.00 0.00 34.95 31.21 1ttn s ARG 29 CO 0.08 -0.98 0.67 -0.51 -0.81 0.00 0.00 175.30 173.75 1ttn s LEU 30 N 1.60 4.32 0.56 -0.88 2.01 0.16 -1.95 118.68 124.51 1ttn s LEU 30 Ca 0.10 1.30 0.28 0.00 0.01 0.00 0.00 54.13 55.81 1ttn s LEU 30 Cb -0.17 -3.51 1.51 0.00 0.01 0.00 0.00 46.19 44.02 1ttn s LEU 30 CO -0.25 0.04 1.83 0.77 1.01 0.00 0.00 176.35 179.75 1ttn h SER 31 N 3.39 0.00 -0.42 2.29 4.64 -1.89 0.82 113.55 122.39 1ttn h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ttn h SER 31 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ttn h SER 31 CO 0.65 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.96 1ttn n THR 32 N -2.68 0.72 -2.36 2.95 -2.24 -1.26 -4.87 114.28 104.55 1ttn n THR 32 Ca -0.02 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1ttn n THR 32 Cb 0.29 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.08 0.84 3.21 3.38 0.00 0.28 -5.02 105.19 108.97 1ttn n GLY 33 Ca 0.15 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.73 2.90 -0.40 1.61 2.36 -0.87 -4.86 119.74 115.75 1ttn s LYS 34 Ca 0.00 -2.30 -0.09 0.00 -2.55 0.00 0.00 55.97 51.03 1ttn s LYS 34 Cb 0.00 -4.03 0.07 0.00 -1.05 0.00 0.00 37.83 32.82 1ttn s LYS 34 CO 0.00 -1.22 0.23 0.16 1.55 0.00 0.00 175.35 176.07 1ttn s ASP 35 N 1.74 5.61 -0.02 1.43 -4.77 -1.24 0.35 116.67 119.77 1ttn s ASP 35 Ca 0.14 -1.38 -0.08 0.00 -3.30 0.00 0.00 52.55 47.94 1ttn s ASP 35 Cb -0.19 -1.98 0.01 0.00 -1.09 0.00 0.00 42.92 39.67 1ttn s ASP 35 CO -0.04 -0.49 0.16 -0.22 0.70 0.00 0.00 175.17 175.28 1ttn s LEU 36 N 1.44 1.42 -0.22 2.11 2.96 -0.56 -4.89 118.68 120.95 1ttn s LEU 36 Ca 0.02 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1ttn s LEU 36 Cb -0.22 0.71 -0.03 0.00 0.50 0.00 0.00 46.19 47.15 1ttn s LEU 36 CO 0.03 -0.29 0.04 -0.75 -1.32 0.00 0.00 176.35 174.06 1ttn s LYS 37 N -0.96 3.70 0.10 1.98 2.20 -1.26 0.88 119.74 126.38 1ttn s LYS 37 Ca -0.10 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1ttn s LYS 37 Cb -0.06 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.01 1ttn s LYS 37 CO 0.01 -0.01 0.29 -1.17 -0.36 0.00 0.00 175.35 174.11 1ttn s LEU 38 N 1.12 4.31 -0.33 5.43 2.96 -0.60 -4.88 118.68 126.70 1ttn s LEU 38 Ca 0.04 0.42 -0.26 0.00 -0.22 0.00 0.00 54.13 54.10 1ttn s LEU 38 Cb -0.14 -3.13 0.01 0.00 0.50 0.00 0.00 46.19 43.43 1ttn s LEU 38 CO 0.03 0.11 0.94 0.68 -1.32 0.00 0.00 176.35 176.78 1ttn s VAL 39 N -1.59 4.63 0.39 1.68 -7.23 -1.26 -2.12 120.40 114.90 1ttn s VAL 39 Ca 0.38 1.42 0.06 0.00 -1.81 0.00 0.00 61.98 62.03 1ttn s VAL 39 Cb -0.13 -4.30 -0.08 0.00 0.56 0.00 0.00 36.38 32.43 1ttn s VAL 39 CO 0.26 -0.41 0.02 0.68 -0.31 0.00 0.00 175.10 175.34 1ttn s VAL 40 N 3.37 1.79 -0.37 1.32 -7.23 0.42 -4.94 120.40 114.77 1ttn s VAL 40 Ca 0.39 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 1ttn s VAL 40 Cb -0.13 -2.94 0.18 0.00 0.56 0.00 0.00 36.38 34.05 1ttn s VAL 40 CO 0.15 0.00 0.54 -0.60 -0.31 0.00 0.00 175.10 174.88 1ttn s ARG 41 N -3.76 0.68 0.00 4.82 3.52 -1.26 0.34 118.95 123.30 1ttn s ARG 41 Ca 0.35 -0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1ttn s ARG 41 Cb 0.10 -0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 1ttn s ARG 41 CO 0.17 -1.15 0.00 0.45 -0.81 0.00 0.00 175.30 173.97 1ttn n SER 42 N 4.68 0.00 0.00 -2.12 2.88 -1.26 -1.99 113.62 115.81 1ttn n SER 42 Ca 0.09 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.74 1ttn n SER 42 Cb 0.53 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.19 1ttn n SER 42 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ttn n THR 43 N 0.00 0.02 -0.99 2.46 -1.04 -1.26 -3.41 114.28 110.06 1ttn n THR 43 Ca 0.00 -0.02 -0.24 0.00 -2.04 0.00 0.00 64.05 61.76 1ttn n THR 43 Cb 0.00 0.32 0.12 0.00 -1.82 0.00 0.00 70.33 68.95 1ttn n THR 43 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ttn n ASP 44 N -1.53 5.12 -4.05 8.00 2.03 -0.84 -4.67 116.55 120.61 1ttn n ASP 44 Ca 0.05 -3.42 -0.29 0.00 0.52 0.00 0.00 54.79 51.65 1ttn n ASP 44 Cb 0.34 -0.87 0.20 0.00 -0.72 0.00 0.00 41.12 40.07 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 -0.72 0.00 -0.35 5.18 -2.24 -1.26 -2.22 114.28 112.68 1ttn n THR 45 Ca 0.51 -0.25 0.27 0.00 -2.27 0.00 0.00 64.05 62.30 1ttn n THR 45 Cb 1.13 -0.70 0.41 0.00 -2.10 0.00 0.00 70.33 69.08 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 -4.73 -0.02 0.29 2.28 0.31 -1.25 0.70 118.33 115.91 1ttn n VAL 46 Ca 0.03 0.80 -0.12 0.00 -0.01 0.00 0.00 64.34 65.05 1ttn n VAL 46 Cb 0.56 -1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.70 -0.64 3.52 3.04 -1.83 1.45 116.94 121.78 1ttn h PHE 47 Ca 0.48 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.33 1ttn h PHE 47 Cb 1.88 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 40.60 1ttn h PHE 47 CO -0.00 -0.44 0.06 0.45 -2.02 0.00 0.00 178.31 176.36 1ttn h HIS 48 N -0.97 1.17 -0.98 0.41 3.86 -0.20 0.50 115.15 118.94 1ttn h HIS 48 Ca -0.08 -0.18 0.21 0.00 -1.16 0.00 0.00 60.37 59.16 1ttn h HIS 48 Cb 0.58 -0.31 -0.11 0.00 1.06 0.00 0.00 27.41 28.62 1ttn h HIS 48 CO 0.04 1.00 0.56 1.98 0.86 0.00 0.00 177.93 182.37 1ttn h MET 49 N 1.00 0.62 -0.13 2.45 4.05 0.75 0.88 114.93 124.55 1ttn h MET 49 Ca 0.19 -0.04 -0.17 0.00 -0.28 0.00 0.00 59.70 59.40 1ttn h MET 49 Cb 0.50 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1ttn h MET 49 CO 0.02 0.41 -0.62 -0.22 0.23 0.00 0.00 176.91 176.73 1ttn h LYS 50 N 0.64 0.47 0.38 0.39 3.11 0.34 0.28 116.57 122.18 1ttn h LYS 50 Ca 0.59 -0.33 -0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1ttn h LYS 50 Cb 1.02 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.27 1ttn h LYS 50 CO -0.43 0.95 -0.50 0.00 -2.81 0.00 0.00 179.45 176.66 1ttn h ARG 51 N 0.35 -0.87 0.00 1.90 2.47 0.56 -1.19 114.38 117.60 1ttn h ARG 51 Ca -0.01 0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 1ttn h ARG 51 Cb 1.17 0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1ttn h ARG 51 CO 0.11 -0.58 -0.16 0.00 0.56 0.00 0.00 179.97 179.89 1ttn h ARG 52 N -0.91 0.00 -0.10 0.04 2.47 -0.88 -2.81 114.38 112.20 1ttn h ARG 52 Ca -0.04 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.72 1ttn h ARG 52 Cb 0.82 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.10 1ttn h ARG 52 CO -0.13 0.16 -0.18 1.25 0.56 0.00 0.00 179.97 181.64 1ttn h LEU 53 N 0.00 -0.54 -0.48 3.04 5.85 0.68 0.59 115.31 124.44 1ttn h LEU 53 Ca -0.00 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1ttn h LEU 53 Cb 0.70 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1ttn h LEU 53 CO 0.02 -0.23 0.15 1.12 -0.34 0.00 0.00 178.44 179.17 1ttn h HIS 54 N -0.24 0.78 -0.98 1.25 2.07 -1.15 -1.55 115.15 115.34 1ttn h HIS 54 Ca 0.09 -0.08 0.11 0.00 -2.85 0.00 0.00 60.37 57.64 1ttn h HIS 54 Cb 0.36 -0.23 -0.08 0.00 2.57 0.00 0.00 27.41 30.04 1ttn h HIS 54 CO -0.27 0.68 0.62 0.00 -3.07 0.00 0.00 177.93 175.89 1ttn h ALA 55 N 1.01 1.54 0.12 6.11 0.00 -1.04 0.82 119.26 127.81 1ttn h ALA 55 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ttn h ALA 55 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ttn h ALA 55 CO -0.01 0.24 -0.06 0.00 0.00 0.00 0.00 179.25 179.42 1ttn h ALA 56 N 1.53 -0.16 0.00 0.00 0.00 0.44 -3.42 119.26 117.65 1ttn h ALA 56 Ca 0.47 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1ttn h ALA 56 Cb 0.44 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ttn h ALA 56 CO -0.23 -0.20 -0.86 -0.85 0.00 0.00 0.00 179.25 177.11 1ttn n GLU 57 N -4.85 0.50 0.00 0.00 0.28 -0.61 -5.03 120.64 110.93 1ttn n GLU 57 Ca -0.06 0.55 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1ttn n GLU 57 Cb 0.24 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.39 1ttn n GLU 57 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ttn n GLY 58 N 1.53 -0.17 3.45 -1.84 0.00 0.28 -5.04 105.19 103.41 1ttn n GLY 58 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.23 4.48 -0.18 1.61 1.01 -1.25 -4.82 120.40 121.02 1ttn s VAL 59 Ca 0.00 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1ttn s VAL 59 Cb 0.00 -4.71 -0.17 0.00 0.00 0.00 0.00 36.38 31.50 1ttn s VAL 59 CO 0.00 -1.46 -0.04 -1.84 0.00 0.00 0.00 175.10 171.76 1ttn n GLU 60 N 7.27 1.04 0.00 2.72 0.28 -1.26 -3.32 120.64 127.36 1ttn n GLU 60 Ca 0.05 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1ttn n GLU 60 Cb 0.46 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1ttn n GLU 60 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1ttn n PRO 61 N -2.80 1.68 0.00 3.44 -0.02 -1.26 -4.78 135.00 131.27 1ttn n PRO 61 Ca -0.30 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.26 1ttn n PRO 61 Cb 0.96 0.00 0.48 0.00 -0.02 0.00 0.00 33.50 34.92 1ttn n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ttn n GLY 62 N 1.20 -0.60 0.00 -1.23 0.00 -1.26 -3.18 105.19 100.11 1ttn n GLY 62 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.07 0.00 -3.97 1.61 7.64 -1.26 -3.89 113.62 112.68 1ttn n SER 63 Ca 0.12 -0.06 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1ttn n SER 63 Cb 0.08 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.16 4.43 -2.58 1.43 6.02 -1.19 -2.60 117.38 121.73 1ttn n GLN 64 Ca 0.06 -4.44 -0.41 0.00 -0.01 0.00 0.00 57.00 52.20 1ttn n GLN 64 Cb 0.06 -2.56 -0.03 0.00 1.02 0.00 0.00 30.24 28.73 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 -2.49 3.27 0.10 -1.09 1.81 -0.95 -4.84 118.95 114.77 1ttn s ARG 65 Ca 0.32 -0.49 -0.30 0.00 -1.72 0.00 0.00 55.73 53.54 1ttn s ARG 65 Cb 0.06 -4.43 -0.06 0.00 -0.45 0.00 0.00 34.95 30.06 1ttn s ARG 65 CO 0.09 -2.13 1.17 -1.58 -0.68 0.00 0.00 175.30 172.17 1ttn s TRP 66 N 5.40 3.48 -0.25 -0.53 0.51 -1.26 -1.22 118.94 125.06 1ttn s TRP 66 Ca 0.36 1.40 -0.10 0.00 -2.12 0.00 0.00 56.10 55.64 1ttn s TRP 66 Cb -0.07 -3.38 0.10 0.00 -0.81 0.00 0.00 33.47 29.31 1ttn s TRP 66 CO 0.09 -1.08 0.56 -0.06 -0.51 0.00 0.00 176.95 175.95 1ttn s PHE 67 N 0.59 -1.06 -0.30 -1.98 0.40 0.22 -2.02 117.98 113.83 1ttn s PHE 67 Ca 0.55 1.95 -0.06 0.00 -0.60 0.00 0.00 56.93 58.78 1ttn s PHE 67 Cb -0.30 0.57 0.02 0.00 0.51 0.00 0.00 43.02 43.82 1ttn s PHE 67 CO 0.32 -0.56 0.06 0.12 0.70 0.00 0.00 175.22 175.86 1ttn s PHE 68 N 2.51 3.16 -0.55 0.36 2.19 0.14 0.11 117.98 125.90 1ttn s PHE 68 Ca -0.05 -1.17 0.00 0.00 0.33 0.00 0.00 56.93 56.04 1ttn s PHE 68 Cb -0.11 -2.22 0.00 0.00 -1.31 0.00 0.00 43.02 39.38 1ttn s PHE 68 CO -0.16 -0.63 0.00 0.43 1.83 0.00 0.00 175.22 176.68 1ttn n SER 69 N 4.82 -5.31 0.00 6.13 7.64 -1.26 -1.75 113.62 123.88 1ttn n SER 69 Ca -0.14 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ttn n SER 69 Cb 0.47 -3.27 0.00 0.00 -1.01 0.00 0.00 64.21 60.40 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 1.18 3.32 0.23 0.00 -1.26 -5.10 105.19 103.44 1ttn n GLY 70 Ca -0.05 0.00 -0.32 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 -0.62 2.98 -0.11 1.61 0.52 -0.72 -5.08 118.95 117.54 1ttn s ARG 71 Ca 0.00 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.12 1ttn s ARG 71 Cb 0.00 -2.39 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1ttn s ARG 71 CO 0.00 0.29 1.56 -1.25 0.02 0.00 0.00 175.30 175.93 1ttn s PRO 72 N 0.09 4.11 0.72 3.54 0.04 -1.26 0.26 135.00 142.51 1ttn s PRO 72 Ca -0.09 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1ttn s PRO 72 Cb -0.15 -3.95 0.02 0.00 0.04 0.00 0.00 34.50 30.46 1ttn s PRO 72 CO 0.06 -0.91 1.08 -0.51 0.04 0.00 0.00 177.00 176.75 1ttn s LEU 73 N 4.18 2.88 0.00 -3.56 1.02 -0.86 -4.93 118.68 117.41 1ttn s LEU 73 Ca 0.69 1.31 0.00 0.00 0.02 0.00 0.00 54.13 56.16 1ttn s LEU 73 Cb -0.29 -4.09 -0.00 0.00 0.02 0.00 0.00 46.19 41.82 1ttn s LEU 73 CO 0.26 -1.51 0.01 1.07 0.02 0.00 0.00 176.35 176.21 1ttn n THR 74 N -3.14 0.00 -0.50 5.49 5.66 -1.26 -4.85 114.28 115.68 1ttn n THR 74 Ca 0.07 -0.55 -0.12 0.00 -3.05 0.00 0.00 64.05 60.40 1ttn n THR 74 Cb 0.56 0.15 0.05 0.00 -1.55 0.00 0.00 70.33 69.53 1ttn n THR 74 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ttn n ASP 75 N -1.45 5.25 -0.91 1.09 5.68 -1.26 -3.53 116.55 121.43 1ttn n ASP 75 Ca -0.03 -2.85 -0.02 0.00 -0.50 0.00 0.00 54.79 51.39 1ttn n ASP 75 Cb 0.14 -0.92 -0.03 0.00 -1.14 0.00 0.00 41.12 39.18 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 0.29 0.00 0.05 0.11 4.76 -1.26 -4.77 118.16 117.35 1ttn n LYS 76 Ca 0.25 -0.94 -0.22 0.00 -2.87 0.00 0.00 58.31 54.53 1ttn n LYS 76 Cb 0.71 0.16 -0.15 0.00 -1.84 0.00 0.00 35.03 33.91 1ttn n LYS 76 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1ttn h MET 77 N 0.20 0.33 0.60 1.97 2.86 -1.92 -3.23 114.93 115.73 1ttn h MET 77 Ca -0.29 -0.56 -0.02 0.00 -2.06 0.00 0.00 59.70 56.76 1ttn h MET 77 Cb 1.40 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 1ttn h MET 77 CO -0.11 1.27 -0.42 0.87 1.06 0.00 0.00 176.91 179.59 1ttn h LYS 78 N -0.18 -0.94 0.00 1.72 6.56 -1.88 0.14 116.57 121.99 1ttn h LYS 78 Ca -0.27 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1ttn h LYS 78 Cb 1.85 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 33.73 1ttn h LYS 78 CO 0.13 -0.63 0.00 0.35 -2.06 0.00 0.00 179.45 177.25 1ttn h PHE 79 N -0.97 0.00 0.00 -1.35 3.57 -1.76 -1.82 116.94 114.61 1ttn h PHE 79 Ca -0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1ttn h PHE 79 Cb 0.81 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1ttn h PHE 79 CO -0.14 0.00 -1.03 -0.85 -2.23 0.00 0.00 178.31 174.06 1ttn n GLU 80 N -3.04 0.47 -0.03 1.11 -0.00 -0.76 -4.49 120.64 113.90 1ttn n GLU 80 Ca -0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 57.16 57.19 1ttn n GLU 80 Cb 0.22 -1.72 -0.01 0.00 -0.00 0.00 0.00 31.44 29.94 1ttn n GLU 80 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1ttn n GLU 81 N -2.36 0.18 0.00 3.44 0.00 0.42 -4.94 120.64 117.39 1ttn n GLU 81 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.48 1ttn n GLU 81 Cb 0.50 -1.08 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1ttn n GLU 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ttn n LEU 82 N -3.21 0.00 -1.99 4.31 7.99 -0.72 -4.74 117.00 118.65 1ttn n LEU 82 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 56.01 55.75 1ttn n LEU 82 Cb 0.12 -0.06 0.16 0.00 -0.11 0.00 0.00 43.42 43.53 1ttn n LEU 82 CO 0.05 0.00 1.13 0.29 -1.51 0.00 0.00 177.39 177.35 1ttn n LYS 83 N -1.73 2.29 0.08 3.23 4.76 -1.26 -4.49 118.16 121.04 1ttn n LYS 83 Ca 0.00 -3.16 0.04 0.00 -2.87 0.00 0.00 58.31 52.31 1ttn n LYS 83 Cb 0.00 -2.12 -0.03 0.00 -1.84 0.00 0.00 35.03 31.04 1ttn n LYS 83 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1ttn h ILE 84 N 1.05 0.44 -0.11 -0.18 3.07 -1.85 -3.28 117.51 116.66 1ttn h ILE 84 Ca 0.52 -1.78 -0.27 0.00 1.55 0.00 0.00 64.86 64.89 1ttn h ILE 84 Cb 2.15 2.00 -0.09 0.00 -0.27 0.00 0.00 36.82 40.61 1ttn h ILE 84 CO 1.01 0.25 1.50 -2.65 -1.05 0.00 0.00 178.15 177.21 1ttn n PRO 85 N -2.92 0.16 -1.42 0.16 -0.02 -1.01 -0.97 135.00 128.98 1ttn n PRO 85 Ca -0.04 -0.22 -0.15 0.00 -2.02 0.00 0.00 63.50 61.06 1ttn n PRO 85 Cb 0.74 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.41 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 6.50 -1.54 -0.04 -0.52 4.76 -1.25 -4.75 118.16 121.31 1ttn n LYS 86 Ca 0.62 0.99 -0.05 0.00 -2.87 0.00 0.00 58.31 57.00 1ttn n LYS 86 Cb 0.22 -5.34 -0.04 0.00 -1.84 0.00 0.00 35.03 28.04 1ttn n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ttn n ASP 87 N -1.07 3.43 -4.68 4.39 8.00 -0.14 -5.05 116.55 121.44 1ttn n ASP 87 Ca -0.15 -0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.06 1ttn n ASP 87 Cb 0.59 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.57 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 -2.15 2.85 -0.10 1.24 1.51 -1.06 -4.98 117.35 114.67 1ttn s TYR 88 Ca -0.09 -0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 1ttn s TYR 88 Cb 0.03 -1.35 0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1ttn s TYR 88 CO 0.18 0.54 0.19 0.54 -1.11 0.00 0.00 175.55 175.89 1ttn s VAL 89 N -1.87 -0.28 0.07 0.71 0.11 -1.26 -2.29 120.40 115.59 1ttn s VAL 89 Ca 0.29 0.31 -0.22 0.00 -2.93 0.00 0.00 61.98 59.42 1ttn s VAL 89 Cb -0.09 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.36 1ttn s VAL 89 CO 0.20 0.13 0.66 -0.69 -3.33 0.00 0.00 175.10 172.07 1ttn s VAL 90 N 2.18 4.69 0.30 2.04 1.01 0.29 -4.76 120.40 126.16 1ttn s VAL 90 Ca 0.01 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.32 1ttn s VAL 90 Cb -0.12 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 1ttn s VAL 90 CO -0.07 0.48 0.62 -1.58 0.00 0.00 0.00 175.10 174.55 1ttn s GLN 91 N -0.68 3.76 0.05 2.72 0.74 0.30 -1.59 119.66 124.94 1ttn s GLN 91 Ca 0.33 0.27 0.01 0.00 0.05 0.00 0.00 55.36 56.02 1ttn s GLN 91 Cb -0.20 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.32 1ttn s GLN 91 CO 0.21 0.18 -0.06 0.14 -0.55 0.00 0.00 175.29 175.21 1ttn s VAL 92 N -2.06 0.45 -0.17 1.34 -7.23 -0.82 0.71 120.40 112.62 1ttn s VAL 92 Ca 0.48 -1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1ttn s VAL 92 Cb -0.11 -0.77 0.04 0.00 0.56 0.00 0.00 36.38 36.10 1ttn s VAL 92 CO 0.26 -0.53 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.82 1ttn s ILE 93 N -1.95 1.24 -0.37 -0.62 1.01 -0.36 -3.59 121.20 116.56 1ttn s ILE 93 Ca -0.07 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1ttn s ILE 93 Cb -0.06 -1.37 0.12 0.00 0.01 0.00 0.00 42.46 41.15 1ttn s ILE 93 CO -0.01 0.17 0.17 0.54 0.00 0.00 0.00 174.94 175.80 1ttn s VAL 94 N 1.58 1.04 -0.53 2.92 0.11 -1.07 -2.25 120.40 122.20 1ttn s VAL 94 Ca 0.01 -1.94 0.02 0.00 -2.93 0.00 0.00 61.98 57.14 1ttn s VAL 94 Cb -0.15 -1.76 0.55 0.00 -1.53 0.00 0.00 36.38 33.49 1ttn s VAL 94 CO -0.08 -0.80 1.91 -0.24 -3.33 0.00 0.00 175.10 172.56 1ttn n SER 95 N 4.20 5.46 -3.35 3.54 2.88 -1.26 -4.68 113.62 120.41 1ttn n SER 95 Ca 0.04 -3.71 -0.26 0.00 -1.33 0.00 0.00 58.87 53.61 1ttn n SER 95 Cb 0.38 -0.87 -0.08 0.00 -0.75 0.00 0.00 64.21 62.90 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 -1.03 1.65 0.06 -1.46 1.13 -1.26 -4.88 117.38 111.59 1ttn n GLN 96 Ca 0.59 -4.00 0.21 0.00 -1.94 0.00 0.00 57.00 51.86 1ttn n GLN 96 Cb 1.15 -1.80 0.69 0.00 0.11 0.00 0.00 30.24 30.39 1ttn n GLN 96 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1ttn h PRO 97 N 4.21 0.00 0.00 -1.09 0.11 -2.01 -3.34 132.00 129.88 1ttn h PRO 97 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ttn h PRO 97 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1ttn h PRO 97 CO 0.66 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.73 1ttn n VAL 98 N -3.54 0.00 0.00 3.15 0.31 -1.26 -5.06 118.33 111.93 1ttn n VAL 98 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1ttn n VAL 98 Cb 0.77 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 1ttn n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ttn n GLN 99 N -1.61 0.00 -0.44 5.55 10.64 -1.26 -5.24 117.38 125.02 1ttn n GLN 99 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1ttn n GLN 99 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1ttn n GLN 99 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32