#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptu s SER 6 N 0.00 -0.67 0.16 1.67 0.15 -1.18 -5.04 113.70 108.79 2ptu s SER 6 Ca 0.00 1.23 0.10 0.00 0.70 0.00 0.00 55.95 57.98 2ptu s SER 6 Cb 0.00 1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 65.50 2ptu s SER 6 CO 0.00 -0.26 -0.22 -0.55 1.20 0.00 0.00 173.24 173.41 2ptu s SER 7 N 0.17 2.97 -0.27 5.45 0.15 -1.26 -0.22 113.70 120.68 2ptu s SER 7 Ca -0.00 -0.82 -0.14 0.00 0.70 0.00 0.00 55.95 55.69 2ptu s SER 7 Cb -0.04 -0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.16 2ptu s SER 7 CO 0.00 0.06 0.65 -0.70 1.20 0.00 0.00 173.24 174.45 2ptu s GLU 8 N -2.50 0.65 -0.02 5.44 2.12 -0.84 -4.96 118.70 118.59 2ptu s GLU 8 Ca 0.15 1.22 -0.11 0.00 0.36 0.00 0.00 54.97 56.59 2ptu s GLU 8 Cb -0.08 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.50 2ptu s GLU 8 CO 0.07 -0.16 0.32 -1.21 -0.54 0.00 0.00 175.26 173.74 2ptu s GLU 9 N 1.82 3.73 -0.01 4.30 2.02 -1.26 0.67 118.70 129.97 2ptu s GLU 9 Ca -0.09 0.17 -0.00 0.00 0.02 0.00 0.00 54.97 55.07 2ptu s GLU 9 Cb -0.06 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 31.01 2ptu s GLU 9 CO -0.19 0.69 0.01 0.08 0.02 0.00 0.00 175.26 175.87 2ptu s VAL 10 N -1.14 -0.02 0.07 2.63 1.01 0.04 -4.92 120.40 118.08 2ptu s VAL 10 Ca 0.23 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.37 2ptu s VAL 10 Cb -0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2ptu s VAL 10 CO 0.12 0.03 -0.24 -0.69 0.00 0.00 0.00 175.10 174.31 2ptu s VAL 11 N 0.31 1.98 0.36 2.92 1.01 -1.26 -0.52 120.40 125.21 2ptu s VAL 11 Ca -0.03 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 2ptu s VAL 11 Cb -0.04 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.63 2ptu s VAL 11 CO -0.01 0.20 0.54 0.61 0.00 0.00 0.00 175.10 176.44 2ptu n GLY 12 N 1.49 1.93 3.42 4.51 0.00 -0.24 -4.95 105.19 111.36 2ptu n GLY 12 Ca -0.18 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 2ptu n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ptu s VAL 13 N -2.71 3.21 0.11 1.61 1.01 -1.26 0.26 120.40 122.62 2ptu s VAL 13 Ca 0.27 -0.62 -0.33 0.00 0.00 0.00 0.00 61.98 61.29 2ptu s VAL 13 Cb -0.02 -2.33 -0.18 0.00 0.00 0.00 0.00 36.38 33.85 2ptu s VAL 13 CO 0.20 0.54 0.78 -0.24 0.00 0.00 0.00 175.10 176.38 2ptu n SER 14 N 3.17 -0.61 -0.01 3.32 2.88 -0.89 -1.83 113.62 119.64 2ptu n SER 14 Ca -0.18 1.14 -0.00 0.00 -1.33 0.00 0.00 58.87 58.50 2ptu n SER 14 Cb 0.53 -0.95 -0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2ptu n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ptu n GLY 15 N 1.78 0.44 3.10 0.46 0.00 0.14 -4.90 105.19 106.20 2ptu n GLY 15 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 2ptu n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptu s LYS 16 N -0.37 0.63 0.68 1.61 1.02 -0.76 -4.77 119.74 117.77 2ptu s LYS 16 Ca 0.00 -0.87 -0.14 0.00 0.02 0.00 0.00 55.97 54.98 2ptu s LYS 16 Cb 0.00 -0.40 0.01 0.00 -0.52 0.00 0.00 37.83 36.93 2ptu s LYS 16 CO 0.00 0.07 1.12 -1.25 -0.92 0.00 0.00 175.35 174.37 2ptu s PRO 17 N -1.87 2.65 0.04 -1.68 0.04 -1.16 -1.42 135.00 131.60 2ptu s PRO 17 Ca -0.06 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 2ptu s PRO 17 Cb -0.08 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2ptu s PRO 17 CO 0.00 -1.37 -0.01 0.54 0.04 0.00 0.00 177.00 176.21 2ptu s VAL 18 N -2.39 0.17 -0.04 -0.36 0.11 -0.75 -4.86 120.40 112.29 2ptu s VAL 18 Ca 0.67 -1.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 2ptu s VAL 18 Cb -0.21 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 2ptu s VAL 18 CO 0.44 -0.76 -0.13 -1.58 -3.33 0.00 0.00 175.10 169.74 2ptu s GLN 19 N -2.87 1.41 -0.46 1.54 0.74 -1.26 -1.09 119.66 117.68 2ptu s GLN 19 Ca -0.03 -0.46 -0.09 0.00 0.05 0.00 0.00 55.36 54.83 2ptu s GLN 19 Cb 0.00 -1.26 0.11 0.00 1.10 0.00 0.00 33.01 32.97 2ptu s GLN 19 CO -0.06 0.17 0.32 -0.51 -0.55 0.00 0.00 175.29 174.66 2ptu s LEU 20 N 0.14 5.56 -0.31 3.68 1.43 0.96 -5.00 118.68 125.15 2ptu s LEU 20 Ca -0.04 -1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 51.16 2ptu s LEU 20 Cb -0.10 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.17 2ptu s LEU 20 CO 0.01 -0.65 0.04 -0.60 0.23 0.00 0.00 176.35 175.38 2ptu s ARG 21 N 1.35 2.61 0.67 1.70 3.52 -1.26 -1.37 118.95 126.17 2ptu s ARG 21 Ca 0.05 -1.16 -0.13 0.00 -0.13 0.00 0.00 55.73 54.37 2ptu s ARG 21 Cb -0.25 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2ptu s ARG 21 CO -0.01 -0.59 1.07 -1.25 -0.81 0.00 0.00 175.30 173.71 2ptu s PRO 22 N 1.34 2.91 0.07 5.12 0.04 -1.26 -5.03 135.00 138.19 2ptu s PRO 22 Ca -0.03 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.18 2ptu s PRO 22 Cb -0.19 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2ptu s PRO 22 CO 0.00 -1.13 -0.11 -1.54 0.04 0.00 0.00 177.00 174.26 2ptu s SER 23 N -3.24 1.35 -1.19 6.66 1.04 -1.26 -4.87 113.70 112.19 2ptu s SER 23 Ca 0.62 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 56.35 2ptu s SER 23 Cb -0.16 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 2ptu s SER 23 CO 0.48 -0.15 0.80 0.59 0.98 0.00 0.00 173.24 175.93 2ptu n ASN 24 N 1.21 -3.63 -4.50 7.02 5.03 -1.26 -5.04 115.26 114.09 2ptu n ASN 24 Ca -0.21 -0.83 -0.29 0.00 0.87 0.00 0.00 54.58 54.12 2ptu n ASN 24 Cb 0.55 -4.25 -0.11 0.00 -1.02 0.00 0.00 39.78 34.94 2ptu n ASN 24 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2ptu s ILE 25 N -3.53 2.90 0.13 2.41 -4.36 -1.26 -5.13 121.20 112.37 2ptu s ILE 25 Ca 0.23 -1.51 -0.30 0.00 -0.26 0.00 0.00 60.65 58.81 2ptu s ILE 25 Cb -0.06 -2.34 -0.07 0.00 1.25 0.00 0.00 42.46 41.24 2ptu s ILE 25 CO 0.80 0.08 1.22 -1.58 0.24 0.00 0.00 174.94 175.70 2ptu s GLN 26 N -2.21 4.45 0.00 0.37 0.74 -1.26 -4.96 119.66 116.79 2ptu s GLN 26 Ca 0.19 1.86 0.00 0.00 0.05 0.00 0.00 55.36 57.46 2ptu s GLN 26 Cb -0.10 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.73 2ptu s GLN 26 CO 0.11 -0.19 0.71 0.25 -0.55 0.00 0.00 175.29 175.61 2ptu n THR 27 N 3.22 0.47 -4.13 -0.34 -2.24 -1.26 -4.98 114.28 105.02 2ptu n THR 27 Ca 0.07 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.83 2ptu n THR 27 Cb 0.45 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 2ptu n THR 27 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ptu s LYS 28 N -0.47 3.05 -0.38 -0.78 1.02 -1.26 -4.71 119.74 116.21 2ptu s LYS 28 Ca 0.00 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.19 2ptu s LYS 28 Cb 0.00 -2.62 -0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2ptu s LYS 28 CO 0.00 -0.19 0.32 -3.47 -0.92 0.00 0.00 175.35 171.09 2ptu n ASP 29 N 4.60 -2.09 -4.18 2.83 2.03 -1.26 -5.05 116.55 113.44 2ptu n ASP 29 Ca -0.21 -0.20 -0.11 0.00 0.52 0.00 0.00 54.79 54.80 2ptu n ASP 29 Cb 0.50 -1.99 -0.10 0.00 -0.72 0.00 0.00 41.12 38.81 2ptu n ASP 29 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2ptu s VAL 30 N -3.12 0.36 0.13 5.18 -7.23 -1.26 -4.10 120.40 110.37 2ptu s VAL 30 Ca 0.01 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2ptu s VAL 30 Cb -0.00 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2ptu s VAL 30 CO 0.24 -0.57 0.17 -0.94 -0.31 0.00 0.00 175.10 173.69 2ptu s SER 31 N -3.08 5.81 -0.03 4.85 1.04 -0.65 -4.85 113.70 116.80 2ptu s SER 31 Ca 0.21 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.67 2ptu s SER 31 Cb 0.07 -1.62 0.01 0.00 0.10 0.00 0.00 66.02 64.58 2ptu s SER 31 CO 0.01 0.09 -0.07 -0.69 0.98 0.00 0.00 173.24 173.56 2ptu s VAL 32 N -1.66 0.64 -0.03 5.02 1.01 -0.21 -1.70 120.40 123.46 2ptu s VAL 32 Ca 0.32 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2ptu s VAL 32 Cb -0.11 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.70 2ptu s VAL 32 CO 0.25 0.21 -0.05 -1.10 0.00 0.00 0.00 175.10 174.41 2ptu s GLN 33 N 0.31 0.74 -0.16 2.72 -0.21 0.74 0.40 119.66 124.19 2ptu s GLN 33 Ca -0.04 -0.12 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 2ptu s GLN 33 Cb -0.09 -0.75 -0.03 0.00 1.00 0.00 0.00 33.01 33.14 2ptu s GLN 33 CO 0.00 -0.04 -0.00 -1.58 -2.12 0.00 0.00 175.29 171.55 2ptu s TRP 34 N 0.70 3.11 0.06 0.91 0.52 0.15 -0.04 118.94 124.35 2ptu s TRP 34 Ca -0.09 -0.15 0.02 0.00 0.02 0.00 0.00 56.10 55.90 2ptu s TRP 34 Cb -0.12 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2ptu s TRP 34 CO 0.00 0.05 -0.08 0.15 0.02 0.00 0.00 176.95 177.09 2ptu s LYS 35 N 0.34 0.65 -0.09 4.98 1.02 0.11 -0.06 119.74 126.68 2ptu s LYS 35 Ca -0.01 -0.95 0.05 0.00 0.02 0.00 0.00 55.97 55.08 2ptu s LYS 35 Cb -0.13 -0.32 -0.00 0.00 -0.52 0.00 0.00 37.83 36.86 2ptu s LYS 35 CO 0.02 0.04 -0.24 0.21 -0.92 0.00 0.00 175.35 174.46 2ptu s LYS 36 N -2.26 2.89 0.35 1.68 2.20 0.39 -0.09 119.74 124.89 2ptu s LYS 36 Ca -0.03 -0.88 -0.28 0.00 -0.36 0.00 0.00 55.97 54.42 2ptu s LYS 36 Cb -0.06 -2.25 -0.12 0.00 -1.51 0.00 0.00 37.83 33.90 2ptu s LYS 36 CO -0.01 0.24 1.41 2.41 -0.36 0.00 0.00 175.35 179.04 2ptu n THR 37 N 3.35 1.88 -3.85 3.43 -1.04 -0.48 -0.46 114.28 117.10 2ptu n THR 37 Ca -0.19 -0.47 -0.35 0.00 -2.04 0.00 0.00 64.05 61.00 2ptu n THR 37 Cb 0.53 -1.78 -0.13 0.00 -1.82 0.00 0.00 70.33 67.13 2ptu n THR 37 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2ptu s GLU 38 N -1.82 1.99 0.24 -2.82 2.12 -1.26 -4.79 118.70 112.36 2ptu s GLU 38 Ca 0.56 -1.71 -0.31 0.00 0.36 0.00 0.00 54.97 53.86 2ptu s GLU 38 Cb -0.52 -3.43 -0.13 0.00 0.26 0.00 0.00 34.13 30.31 2ptu s GLU 38 CO 0.61 -0.95 1.52 1.04 -0.54 0.00 0.00 175.26 176.95 2ptu n GLN 39 N 4.53 2.33 0.00 4.30 6.02 -1.26 -2.22 117.38 131.09 2ptu n GLN 39 Ca -0.03 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.79 2ptu n GLN 39 Cb 0.42 -2.56 0.00 0.00 1.02 0.00 0.00 30.24 29.12 2ptu n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ptu n GLY 40 N 2.52 1.75 3.78 1.08 0.00 -1.26 -4.99 105.19 108.07 2ptu n GLY 40 Ca 0.12 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2ptu n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ptu s SER 41 N 0.00 5.12 -0.12 1.61 0.01 -0.94 -5.02 113.70 114.36 2ptu s SER 41 Ca 0.00 1.85 -0.23 0.00 1.31 0.00 0.00 55.95 58.88 2ptu s SER 41 Cb 0.00 -2.53 -0.27 0.00 0.21 0.00 0.00 66.02 63.43 2ptu s SER 41 CO 0.00 -1.62 0.67 0.45 0.41 0.00 0.00 173.24 173.14 2ptu h HIS 42 N -0.34 0.24 -3.26 2.43 3.86 -1.95 -3.45 115.15 112.69 2ptu h HIS 42 Ca -0.45 -0.18 -0.57 0.00 -1.16 0.00 0.00 60.37 58.01 2ptu h HIS 42 Cb 1.23 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.65 2ptu h HIS 42 CO 0.58 1.29 -0.04 0.50 0.86 0.00 0.00 177.93 181.11 2ptu s ARG 43 N -2.36 4.15 0.51 2.45 3.52 -1.26 -4.97 118.95 120.99 2ptu s ARG 43 Ca -0.19 0.69 -0.19 0.00 -0.13 0.00 0.00 55.73 55.90 2ptu s ARG 43 Cb 0.01 -3.17 -0.08 0.00 -1.56 0.00 0.00 34.95 30.16 2ptu s ARG 43 CO 0.73 0.60 1.03 0.15 -0.81 0.00 0.00 175.30 177.00 2ptu s LYS 44 N -1.29 3.74 -0.31 5.12 1.02 -1.26 -4.37 119.74 122.39 2ptu s LYS 44 Ca 0.31 1.27 -0.29 0.00 0.02 0.00 0.00 55.97 57.28 2ptu s LYS 44 Cb -0.18 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.04 2ptu s LYS 44 CO 0.19 -0.47 1.19 0.42 -0.92 0.00 0.00 175.35 175.76 2ptu s ILE 45 N -2.16 4.33 0.13 2.17 1.01 0.39 -4.92 121.20 122.15 2ptu s ILE 45 Ca 0.65 1.52 -0.31 0.00 0.00 0.00 0.00 60.65 62.51 2ptu s ILE 45 Cb -0.15 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 2ptu s ILE 45 CO 0.24 -0.47 1.34 -1.61 0.00 0.00 0.00 174.94 174.43 2ptu s GLU 46 N 3.89 4.36 -0.20 2.79 2.02 -1.26 -0.46 118.70 129.83 2ptu s GLU 46 Ca 0.51 2.02 -0.05 0.00 0.02 0.00 0.00 54.97 57.47 2ptu s GLU 46 Cb -0.15 -3.24 -0.11 0.00 0.10 0.00 0.00 34.13 30.73 2ptu s GLU 46 CO 0.19 -0.35 -0.22 -0.89 0.02 0.00 0.00 175.26 174.00 2ptu n ILE 47 N 3.53 1.13 -3.69 -1.63 5.41 0.91 -4.60 119.36 120.41 2ptu n ILE 47 Ca 0.09 -0.35 -0.11 0.00 1.00 0.00 0.00 62.75 63.38 2ptu n ILE 47 Cb 0.43 -1.51 -0.10 0.00 -0.71 0.00 0.00 39.64 37.75 2ptu n ILE 47 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2ptu s LEU 48 N -6.67 -0.11 -0.02 1.39 1.98 -1.12 -1.84 118.68 112.28 2ptu s LEU 48 Ca -0.28 1.01 0.07 0.00 -2.89 0.00 0.00 54.13 52.04 2ptu s LEU 48 Cb 0.09 1.60 -0.02 0.00 0.66 0.00 0.00 46.19 48.52 2ptu s LEU 48 CO 0.40 -0.19 -0.22 0.20 -1.89 0.00 0.00 176.35 174.65 2ptu s ASN 49 N 1.01 3.35 -0.35 3.68 0.01 -0.17 -0.67 114.94 121.81 2ptu s ASN 49 Ca -0.06 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 2ptu s ASN 49 Cb -0.06 -0.49 0.11 0.00 0.41 0.00 0.00 41.25 41.22 2ptu s ASN 49 CO -0.09 0.32 0.13 0.86 -1.51 0.00 0.00 177.10 176.81 2ptu s TRP 50 N -0.67 2.04 0.00 2.20 -0.11 0.16 0.88 118.94 123.45 2ptu s TRP 50 Ca 0.11 -2.08 0.00 0.00 1.22 0.00 0.00 56.10 55.35 2ptu s TRP 50 Cb -0.10 -1.92 0.00 0.00 -1.50 0.00 0.00 33.47 29.95 2ptu s TRP 50 CO -0.00 -0.86 0.00 0.66 -4.62 0.00 0.00 176.95 172.12 2ptu n TYR 51 N 4.44 0.00 1.02 5.86 4.02 -1.26 -1.04 117.16 130.20 2ptu n TYR 51 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.02 2ptu n TYR 51 Cb 0.40 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.78 2ptu n TYR 51 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2ptu n ASN 52 N 0.00 0.96 -1.25 7.72 6.94 -1.26 -4.16 115.26 124.21 2ptu n ASN 52 Ca 0.00 -0.81 -0.00 0.00 -0.02 0.00 0.00 54.58 53.75 2ptu n ASN 52 Cb 0.00 0.62 0.24 0.00 -2.36 0.00 0.00 39.78 38.28 2ptu n ASN 52 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2ptu n ASP 53 N -1.25 3.54 -0.07 0.53 9.92 -1.26 -5.08 116.55 122.87 2ptu n ASP 53 Ca 0.06 -3.36 0.01 0.00 -0.53 0.00 0.00 54.79 50.97 2ptu n ASP 53 Cb 0.35 -0.63 -0.00 0.00 -0.64 0.00 0.00 41.12 40.20 2ptu n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ptu n GLY 54 N -0.71 -1.78 3.67 0.44 0.00 -1.26 -4.80 105.19 100.75 2ptu n GLY 54 Ca 0.31 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2ptu n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ptu s PRO 55 N -1.78 4.19 -0.10 1.61 0.04 -1.26 -4.20 135.00 133.51 2ptu s PRO 55 Ca 0.00 2.26 0.02 0.00 0.04 0.00 0.00 61.00 63.31 2ptu s PRO 55 Cb 0.00 -3.87 0.02 0.00 0.04 0.00 0.00 34.50 30.68 2ptu s PRO 55 CO 0.00 -0.81 -0.13 -1.54 0.04 0.00 0.00 177.00 174.56 2ptu s SER 56 N 3.11 2.23 0.26 6.66 1.04 0.25 -4.95 113.70 122.31 2ptu s SER 56 Ca 0.74 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.50 2ptu s SER 56 Cb -0.36 -0.99 -0.10 0.00 0.10 0.00 0.00 66.02 64.68 2ptu s SER 56 CO 0.31 0.00 1.28 0.26 0.98 0.00 0.00 173.24 176.08 2ptu s TRP 57 N 0.99 3.22 0.10 5.02 0.52 -1.26 -0.99 118.94 126.54 2ptu s TRP 57 Ca -0.07 1.37 0.31 0.00 0.02 0.00 0.00 56.10 57.72 2ptu s TRP 57 Cb -0.15 -3.59 1.24 0.00 -1.15 0.00 0.00 33.47 29.82 2ptu s TRP 57 CO -0.01 -1.69 1.94 0.77 0.02 0.00 0.00 176.95 177.98 2ptu h SER 58 N 4.35 0.00 -4.93 2.95 0.02 -1.62 -3.44 113.55 110.88 2ptu h SER 58 Ca -0.47 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.29 2ptu h SER 58 Cb 1.22 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.55 2ptu h SER 58 CO 0.71 0.06 -0.71 0.20 -1.14 0.00 0.00 176.83 175.95 2ptu s ASN 59 N -5.84 0.44 0.47 3.07 0.01 -1.26 -5.05 114.94 106.78 2ptu s ASN 59 Ca 0.01 -0.56 0.12 0.00 -0.71 0.00 0.00 52.86 51.72 2ptu s ASN 59 Cb 0.09 0.09 1.08 0.00 0.41 0.00 0.00 41.25 42.92 2ptu s ASN 59 CO 0.57 -0.30 2.10 0.58 -1.51 0.00 0.00 177.10 178.54 2ptu h VAL 60 N 4.45 1.05 0.00 1.60 2.07 -2.01 -2.31 116.25 121.10 2ptu h VAL 60 Ca -0.33 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2ptu h VAL 60 Cb 1.20 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2ptu h VAL 60 CO 0.43 0.05 -0.03 0.77 0.02 0.00 0.00 177.57 178.81 2ptu h SER 61 N 0.23 0.00 0.07 0.57 4.64 -1.98 -3.33 113.55 113.76 2ptu h SER 61 Ca 0.06 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ptu h SER 61 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2ptu h SER 61 CO -0.01 0.00 -0.01 -0.26 -0.87 0.00 0.00 176.83 175.68 2ptu h PHE 62 N 0.00 0.00 0.00 4.77 -1.00 -1.82 -2.12 116.94 116.78 2ptu h PHE 62 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 2ptu h PHE 62 Cb 0.95 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 2ptu h PHE 62 CO 0.00 0.01 -0.18 0.66 -1.61 0.00 0.00 178.31 177.18 2ptu h SER 63 N 0.00 0.00 1.03 2.17 4.64 -1.75 0.76 113.55 120.40 2ptu h SER 63 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2ptu h SER 63 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2ptu h SER 63 CO 0.00 0.18 -1.00 0.44 -0.87 0.00 0.00 176.83 175.58 2ptu h ASP 64 N 0.00 0.00 0.06 4.97 3.32 -1.64 -3.39 116.42 119.75 2ptu h ASP 64 Ca -0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 2ptu h ASP 64 Cb 1.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2ptu h ASP 64 CO 0.02 0.21 -1.45 0.40 -1.72 0.00 0.00 179.24 176.71 2ptu h ILE 65 N 0.00 0.90 -1.59 0.35 2.04 -1.48 -3.46 117.51 114.27 2ptu h ILE 65 Ca -0.05 -2.29 -0.51 0.00 1.00 0.00 0.00 64.86 63.01 2ptu h ILE 65 Cb 1.21 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 39.71 2ptu h ILE 65 CO 0.02 0.58 -0.42 -0.31 0.00 0.00 0.00 178.15 178.03 2ptu s TYR 66 N -2.44 2.71 0.02 1.37 2.02 0.25 -1.29 117.35 120.00 2ptu s TYR 66 Ca -0.24 -0.48 -0.00 0.00 -0.37 0.00 0.00 57.07 55.97 2ptu s TYR 66 Cb 0.05 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2ptu s TYR 66 CO 0.69 -0.00 -0.03 0.20 -1.57 0.00 0.00 175.55 174.84 2ptu s GLY 67 N -4.06 0.22 -0.01 0.71 0.00 0.66 -4.66 107.32 100.18 2ptu s GLY 67 Ca 0.45 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2ptu s GLY 67 CO 0.26 -0.60 -0.01 -0.12 0.00 0.00 0.00 173.10 172.64 2ptu s PHE 68 N -1.32 0.18 -0.32 1.90 5.36 -1.26 -1.12 117.98 121.40 2ptu s PHE 68 Ca -0.15 -0.00 -0.10 0.00 -0.96 0.00 0.00 56.93 55.73 2ptu s PHE 68 Cb -0.09 -0.20 -0.00 0.00 -0.34 0.00 0.00 43.02 42.39 2ptu s PHE 68 CO -0.01 -0.04 0.16 0.34 -1.46 0.00 0.00 175.22 174.21 2ptu s ASP 69 N 0.36 5.58 0.37 6.13 2.15 -0.66 -4.97 116.67 125.62 2ptu s ASP 69 Ca -0.03 -0.59 0.05 0.00 0.43 0.00 0.00 52.55 52.40 2ptu s ASP 69 Cb -0.05 -2.00 0.72 0.00 -0.30 0.00 0.00 42.92 41.28 2ptu s ASP 69 CO -0.01 -0.22 1.97 1.88 -0.17 0.00 0.00 175.17 178.62 2ptu h TYR 70 N 8.36 0.57 0.00 -5.34 0.05 -1.95 0.63 116.97 119.29 2ptu h TYR 70 Ca -0.31 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.44 2ptu h TYR 70 Cb 1.14 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2ptu h TYR 70 CO 0.63 0.44 -0.04 0.78 -1.05 0.00 0.00 178.16 178.92 2ptu h GLY 71 N 0.72 0.03 -0.61 3.88 0.00 -1.99 -3.39 103.07 101.71 2ptu h GLY 71 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2ptu h GLY 71 CO -0.02 0.05 -0.11 2.09 0.00 0.00 0.00 176.54 178.55 2ptu n ASP 72 N -4.67 1.48 0.00 0.19 5.68 -1.20 -4.94 116.55 113.09 2ptu n ASP 72 Ca -0.10 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 2ptu n ASP 72 Cb 0.41 0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 2ptu n ASP 72 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2ptu n PHE 73 N 0.10 0.00 -1.69 2.11 0.99 0.22 -4.55 117.46 114.64 2ptu n PHE 73 Ca 0.05 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.05 2ptu n PHE 73 Cb 0.23 -0.59 -0.03 0.00 -1.00 0.00 0.00 39.48 38.08 2ptu n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ptu n ALA 74 N 1.00 1.76 -2.84 4.37 0.00 -1.25 -4.65 120.51 118.90 2ptu n ALA 74 Ca 0.00 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 2ptu n ALA 74 Cb 0.12 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.12 2ptu n ALA 74 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ptu s LEU 75 N 0.71 4.37 0.06 0.00 2.96 -0.47 -1.66 118.68 124.65 2ptu s LEU 75 Ca 0.75 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 55.17 2ptu s LEU 75 Cb -0.62 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 2ptu s LEU 75 CO 0.39 0.38 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.76 2ptu s SER 76 N -0.86 1.17 -0.20 3.68 1.04 -0.28 -0.03 113.70 118.23 2ptu s SER 76 Ca 0.15 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 55.93 2ptu s SER 76 Cb -0.12 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2ptu s SER 76 CO 0.04 -0.19 -0.05 -0.63 0.98 0.00 0.00 173.24 173.39 2ptu s ILE 77 N -1.57 3.46 0.25 -1.02 1.01 -0.25 -0.24 121.20 122.84 2ptu s ILE 77 Ca -0.05 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 2ptu s ILE 77 Cb -0.09 -2.55 0.05 0.00 0.01 0.00 0.00 42.46 39.89 2ptu s ILE 77 CO 0.01 0.45 1.68 0.11 0.00 0.00 0.00 174.94 177.19 2ptu h LYS 78 N 7.64 0.61 -1.83 2.79 1.57 -1.48 -1.99 116.57 123.88 2ptu h LYS 78 Ca -0.37 -0.24 -0.34 0.00 -1.87 0.00 0.00 60.65 57.84 2ptu h LYS 78 Cb 1.17 -0.03 -0.29 0.00 0.08 0.00 0.00 32.23 33.16 2ptu h LYS 78 CO 0.60 0.79 -0.66 0.45 -0.57 0.00 0.00 179.45 180.06 2ptu s SER 79 N -6.78 0.81 0.18 0.86 0.15 -1.26 -3.00 113.70 104.67 2ptu s SER 79 Ca -0.08 -1.55 -0.33 0.00 0.70 0.00 0.00 55.95 54.69 2ptu s SER 79 Cb 0.13 0.72 -0.14 0.00 -1.71 0.00 0.00 66.02 65.03 2ptu s SER 79 CO 0.81 -0.24 1.51 0.00 1.20 0.00 0.00 173.24 176.52 2ptu n ALA 80 N 4.19 1.17 -2.40 5.45 0.00 -0.50 -4.61 120.51 123.81 2ptu n ALA 80 Ca 0.12 0.44 -0.25 0.00 0.00 0.00 0.00 53.44 53.75 2ptu n ALA 80 Cb 0.47 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 2ptu n ALA 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ptu s LYS 81 N 0.43 2.30 0.20 0.00 -2.85 -1.26 0.27 119.74 118.83 2ptu s LYS 81 Ca 0.75 -1.84 -0.11 0.00 -1.00 0.00 0.00 55.97 53.77 2ptu s LYS 81 Cb -0.68 -2.07 0.18 0.00 -2.06 0.00 0.00 37.83 33.19 2ptu s LYS 81 CO 0.42 -0.26 1.83 -0.07 0.10 0.00 0.00 175.35 177.38 2ptu h LEU 82 N 1.19 0.65 0.00 2.77 4.07 -1.96 -1.16 115.31 120.86 2ptu h LEU 82 Ca -0.41 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.55 2ptu h LEU 82 Cb 1.27 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2ptu h LEU 82 CO 0.65 0.45 0.03 0.00 -1.08 0.00 0.00 178.44 178.48 2ptu n GLN 83 N -4.71 0.00 0.02 1.13 10.64 -1.26 -1.82 117.38 121.38 2ptu n GLN 83 Ca 0.07 0.46 0.13 0.00 -1.83 0.00 0.00 57.00 55.83 2ptu n GLN 83 Cb 0.10 -1.53 0.47 0.00 -0.86 0.00 0.00 30.24 28.42 2ptu n GLN 83 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2ptu n ASP 84 N -1.46 0.27 -4.77 2.61 8.00 -0.44 -4.82 116.55 115.94 2ptu n ASP 84 Ca 0.00 0.29 -0.40 0.00 0.71 0.00 0.00 54.79 55.40 2ptu n ASP 84 Cb 0.03 -0.30 0.01 0.00 -0.02 0.00 0.00 41.12 40.84 2ptu n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ptu s SER 85 N -3.26 6.10 0.00 -2.24 0.01 -0.75 -4.85 113.70 108.70 2ptu s SER 85 Ca 0.12 2.78 0.00 0.00 1.31 0.00 0.00 55.95 60.16 2ptu s SER 85 Cb 0.17 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2ptu s SER 85 CO 0.59 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2ptu n GLY 86 N 0.62 0.68 3.70 3.44 0.00 -0.16 -4.97 105.19 108.51 2ptu n GLY 86 Ca 0.04 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 2ptu n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ptu s HIS 87 N -1.58 3.49 0.06 1.61 5.65 -1.26 -0.51 115.29 122.74 2ptu s HIS 87 Ca 0.00 0.93 0.09 0.00 0.25 0.00 0.00 55.06 56.33 2ptu s HIS 87 Cb 0.00 -2.63 -0.03 0.00 -1.18 0.00 0.00 32.58 28.74 2ptu s HIS 87 CO 0.00 0.08 -0.25 0.71 -0.65 0.00 0.00 174.74 174.63 2ptu s TYR 88 N 0.95 2.38 -0.05 3.88 1.51 -0.30 -1.38 117.35 124.33 2ptu s TYR 88 Ca 0.28 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2ptu s TYR 88 Cb -0.16 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2ptu s TYR 88 CO 0.11 0.19 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.49 2ptu s LEU 89 N -1.43 1.53 -0.30 -1.29 2.96 0.87 -1.12 118.68 119.91 2ptu s LEU 89 Ca 0.13 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 2ptu s LEU 89 Cb -0.10 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 2ptu s LEU 89 CO 0.03 0.00 0.16 -0.22 -1.32 0.00 0.00 176.35 175.01 2ptu s LEU 90 N 0.72 4.04 -0.17 -0.68 0.20 -0.25 -0.71 118.68 121.84 2ptu s LEU 90 Ca -0.13 -0.35 -0.03 0.00 0.69 0.00 0.00 54.13 54.31 2ptu s LEU 90 Cb -0.15 -2.04 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 2ptu s LEU 90 CO 0.02 -0.14 -0.05 -1.61 -0.29 0.00 0.00 176.35 174.28 2ptu s GLU 91 N 1.66 3.58 -0.16 1.98 2.02 0.94 -0.61 118.70 128.10 2ptu s GLU 91 Ca 0.06 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.50 2ptu s GLU 91 Cb -0.17 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 31.17 2ptu s GLU 91 CO 0.07 0.14 -0.21 0.42 0.02 0.00 0.00 175.26 175.71 2ptu s ILE 92 N 0.61 2.07 -0.04 -1.63 1.01 -0.76 -0.18 121.20 122.27 2ptu s ILE 92 Ca -0.03 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.73 2ptu s ILE 92 Cb -0.15 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 2ptu s ILE 92 CO 0.03 0.54 -0.25 0.42 0.00 0.00 0.00 174.94 175.68 2ptu s THR 93 N 1.09 2.07 0.65 2.92 -4.23 -0.69 -0.28 115.64 117.17 2ptu s THR 93 Ca -0.00 -1.08 0.04 0.00 -1.18 0.00 0.00 61.69 59.47 2ptu s THR 93 Cb -0.14 -1.73 0.12 0.00 1.34 0.00 0.00 72.50 72.09 2ptu s THR 93 CO -0.08 0.58 0.89 -0.46 -0.54 0.00 0.00 174.62 175.00 2ptu n ASN 94 N 2.70 1.63 0.31 3.99 0.23 -1.08 -1.63 115.26 121.42 2ptu n ASN 94 Ca -0.17 -2.28 0.20 0.00 -0.53 0.00 0.00 54.58 51.80 2ptu n ASN 94 Cb 0.52 -0.54 0.98 0.00 -2.08 0.00 0.00 39.78 38.65 2ptu n ASN 94 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 2ptu h THR 95 N -0.30 0.07 0.00 5.53 1.35 -1.93 -0.96 112.91 116.67 2ptu h THR 95 Ca -0.30 -0.24 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 2ptu h THR 95 Cb 1.20 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2ptu h THR 95 CO 0.36 0.01 -0.15 1.23 -0.25 0.00 0.00 175.52 176.73 2ptu h GLY 96 N 0.82 0.00 0.00 5.82 0.00 -1.95 -3.47 103.07 104.29 2ptu h GLY 96 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ptu h GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2ptu n GLY 97 N 0.55 0.66 3.69 4.60 0.00 -0.36 -5.07 105.19 109.26 2ptu n GLY 97 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2ptu n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptu s LYS 98 N -0.94 4.42 -0.21 1.61 1.02 -1.26 -4.83 119.74 119.55 2ptu s LYS 98 Ca 0.00 1.49 -0.10 0.00 0.02 0.00 0.00 55.97 57.38 2ptu s LYS 98 Cb 0.00 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 2ptu s LYS 98 CO 0.00 -0.31 0.13 0.14 -0.92 0.00 0.00 175.35 174.39 2ptu s VAL 99 N 1.86 5.32 -0.37 3.17 -7.23 -1.26 -2.63 120.40 119.26 2ptu s VAL 99 Ca 0.51 0.16 -0.14 0.00 -1.81 0.00 0.00 61.98 60.70 2ptu s VAL 99 Cb -0.21 -3.44 -0.00 0.00 0.56 0.00 0.00 36.38 33.29 2ptu s VAL 99 CO 0.21 0.41 0.31 0.00 -0.31 0.00 0.00 175.10 175.72 2ptu s ASN 101 N 1.72 6.42 -0.30 0.00 0.01 -1.26 -1.84 114.94 119.70 2ptu s ASN 101 Ca 0.08 0.49 0.01 0.00 -0.71 0.00 0.00 52.86 52.72 2ptu s ASN 101 Cb -0.18 -2.20 0.06 0.00 0.41 0.00 0.00 41.25 39.35 2ptu s ASN 101 CO 0.11 0.03 -0.03 -0.54 -1.51 0.00 0.00 177.10 175.16 2ptu s LYS 102 N 0.84 2.20 0.11 -0.60 -0.14 0.22 -1.89 119.74 120.46 2ptu s LYS 102 Ca 0.17 -1.42 -0.08 0.00 -1.36 0.00 0.00 55.97 53.28 2ptu s LYS 102 Cb -0.14 -3.09 -0.06 0.00 -1.68 0.00 0.00 37.83 32.87 2ptu s LYS 102 CO 0.06 -0.67 0.40 -0.80 -0.76 0.00 0.00 175.35 173.57 2ptu s ASN 103 N 1.18 6.58 -0.03 2.83 0.01 0.69 -1.09 114.94 125.11 2ptu s ASN 103 Ca -0.04 0.72 -0.02 0.00 -0.71 0.00 0.00 52.86 52.81 2ptu s ASN 103 Cb -0.20 -2.15 0.02 0.00 0.41 0.00 0.00 41.25 39.33 2ptu s ASN 103 CO -0.04 0.12 0.07 -0.36 -1.51 0.00 0.00 177.10 175.38 2ptu s PHE 104 N -1.51 -0.06 -0.24 2.20 0.08 -0.27 -1.99 117.98 116.18 2ptu s PHE 104 Ca 0.36 0.22 -0.04 0.00 0.12 0.00 0.00 56.93 57.59 2ptu s PHE 104 Cb -0.13 -0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.27 2ptu s PHE 104 CO 0.20 -0.07 -0.02 -1.14 -0.10 0.00 0.00 175.22 174.09 2ptu s GLN 105 N 0.46 3.21 -0.26 0.44 2.00 0.21 -1.15 119.66 124.58 2ptu s GLN 105 Ca -0.04 -0.74 -0.11 0.00 -2.00 0.00 0.00 55.36 52.47 2ptu s GLN 105 Cb -0.05 -3.08 -0.05 0.00 0.80 0.00 0.00 33.01 30.63 2ptu s GLN 105 CO -0.02 -0.29 0.18 -1.17 -0.50 0.00 0.00 175.29 173.49 2ptu s LEU 106 N 1.45 4.08 -0.22 3.68 2.96 0.33 -0.78 118.68 130.18 2ptu s LEU 106 Ca 0.04 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2ptu s LEU 106 Cb -0.15 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.45 2ptu s LEU 106 CO -0.02 0.01 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.12 2ptu s LEU 107 N 1.36 2.79 -0.26 -0.68 1.43 0.32 -0.99 118.68 122.65 2ptu s LEU 107 Ca 0.08 -0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 2ptu s LEU 107 Cb -0.15 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2ptu s LEU 107 CO 0.07 -0.09 0.12 -0.63 0.23 0.00 0.00 176.35 176.06 2ptu s ILE 108 N 1.24 4.74 -0.31 -0.59 -1.09 -1.26 -1.07 121.20 122.85 2ptu s ILE 108 Ca -0.01 -0.04 -0.21 0.00 -2.23 0.00 0.00 60.65 58.17 2ptu s ILE 108 Cb -0.16 -3.24 -0.01 0.00 -1.58 0.00 0.00 42.46 37.47 2ptu s ILE 108 CO -0.08 0.29 0.67 -0.76 -1.23 0.00 0.00 174.94 173.83 2ptu s LEU 109 N 1.68 4.14 0.00 2.97 1.02 0.14 -4.89 118.68 123.74 2ptu s LEU 109 Ca 0.07 0.46 0.19 0.00 0.02 0.00 0.00 54.13 54.86 2ptu s LEU 109 Cb -0.16 -2.88 1.13 0.00 0.02 0.00 0.00 46.19 44.31 2ptu s LEU 109 CO 0.07 -0.52 1.52 -0.67 0.02 0.00 0.00 176.35 176.77