#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itb h PRO 2 N 0.00 0.00 -5.35 0.00 0.13 -2.04 -3.44 132.00 121.30 1itb h PRO 2 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.71 1itb h PRO 2 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 1itb h PRO 2 CO 0.00 0.28 -0.78 0.54 -0.23 0.00 0.00 178.00 177.81 1itb s VAL 3 N -4.10 1.12 -0.19 1.56 0.11 -1.26 -4.78 120.40 112.85 1itb s VAL 3 Ca -0.02 -1.29 -0.22 0.00 -2.93 0.00 0.00 61.98 57.52 1itb s VAL 3 Cb 0.13 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1itb s VAL 3 CO 0.67 -0.21 0.69 -0.60 -3.33 0.00 0.00 175.10 172.32 1itb s ARG 4 N -1.71 4.23 0.02 1.54 6.06 -1.26 -5.00 118.95 122.83 1itb s ARG 4 Ca -0.02 0.74 0.02 0.00 -2.50 0.00 0.00 55.73 53.97 1itb s ARG 4 Cb -0.10 -3.58 -0.01 0.00 0.06 0.00 0.00 34.95 31.32 1itb s ARG 4 CO 0.02 -0.28 -0.07 -1.12 -2.50 0.00 0.00 175.30 171.35 1itb s SER 5 N 1.20 0.84 0.02 -2.12 0.01 -1.26 -0.71 113.70 111.68 1itb s SER 5 Ca 0.31 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.27 1itb s SER 5 Cb -0.16 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1itb s SER 5 CO 0.11 -0.05 -0.08 -0.76 0.41 0.00 0.00 173.24 172.87 1itb s LEU 6 N -0.86 2.15 -0.24 2.44 1.43 -0.57 -4.97 118.68 118.06 1itb s LEU 6 Ca -0.03 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 1itb s LEU 6 Cb -0.06 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 1itb s LEU 6 CO 0.00 -0.07 0.41 0.20 0.23 0.00 0.00 176.35 177.12 1itb s ASN 7 N -0.96 6.37 0.33 2.29 0.01 -1.26 -0.64 114.94 121.07 1itb s ASN 7 Ca -0.04 0.43 0.03 0.00 -0.71 0.00 0.00 52.86 52.58 1itb s ASN 7 Cb -0.07 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1itb s ASN 7 CO 0.00 -0.15 0.12 0.00 -1.51 0.00 0.00 177.10 175.56 1itb n THR 9 N -0.67 0.33 -1.81 0.00 -2.24 0.11 -0.97 114.28 109.02 1itb n THR 9 Ca -0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1itb n THR 9 Cb 0.65 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1itb n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1itb n LEU 10 N -2.61 -5.67 -3.91 3.22 4.77 -1.24 -4.78 117.00 106.78 1itb n LEU 10 Ca -0.10 2.87 -0.14 0.00 -0.03 0.00 0.00 56.01 58.61 1itb n LEU 10 Cb 0.61 -2.82 -0.14 0.00 -2.33 0.00 0.00 43.42 38.74 1itb n LEU 10 CO 0.06 -1.27 -0.38 -0.13 -1.33 0.00 0.00 177.39 174.34 1itb s ARG 11 N -1.33 0.24 1.23 3.23 0.52 -0.85 -4.14 118.95 117.85 1itb s ARG 11 Ca 0.00 -0.09 -0.20 0.00 -0.52 0.00 0.00 55.73 54.92 1itb s ARG 11 Cb 0.00 -0.25 0.30 0.00 0.52 0.00 0.00 34.95 35.52 1itb s ARG 11 CO 0.00 0.05 1.12 0.16 0.02 0.00 0.00 175.30 176.65 1itb s ASP 12 N 0.03 0.72 0.17 0.23 1.47 -0.13 -0.76 116.67 118.39 1itb s ASP 12 Ca 0.00 0.52 0.23 0.00 1.18 0.00 0.00 52.55 54.47 1itb s ASP 12 Cb -0.02 -0.67 0.89 0.00 -0.34 0.00 0.00 42.92 42.78 1itb s ASP 12 CO -0.00 -4.24 1.69 -1.54 0.68 0.00 0.00 175.17 171.76 1itb n SER 13 N -4.82 0.50 -0.94 2.11 3.41 -0.59 -2.40 113.62 110.89 1itb n SER 13 Ca 0.15 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 1itb n SER 13 Cb 0.60 -0.71 0.26 0.00 -0.26 0.00 0.00 64.21 64.10 1itb n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itb n GLN 14 N -2.02 2.20 -1.00 4.33 1.13 -1.26 -4.94 117.38 115.82 1itb n GLN 14 Ca 0.03 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.24 1itb n GLN 14 Cb 0.27 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1itb n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1itb n GLN 15 N 1.02 -0.00 -2.62 -1.09 1.13 -1.01 -5.03 117.38 109.77 1itb n GLN 15 Ca 0.18 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.83 1itb n GLN 15 Cb 0.46 -2.83 -0.04 0.00 0.11 0.00 0.00 30.24 27.94 1itb n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1itb s LYS 16 N -0.01 4.63 0.64 -1.09 1.02 -1.26 -4.78 119.74 118.89 1itb s LYS 16 Ca 0.00 1.58 -0.02 0.00 0.02 0.00 0.00 55.97 57.55 1itb s LYS 16 Cb 0.00 -3.34 0.06 0.00 -0.52 0.00 0.00 37.83 34.03 1itb s LYS 16 CO 0.00 0.11 0.90 -1.12 -0.92 0.00 0.00 175.35 174.32 1itb s SER 17 N 0.07 4.93 0.02 2.83 0.01 0.42 -0.96 113.70 121.01 1itb s SER 17 Ca 0.49 0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.90 1itb s SER 17 Cb -0.26 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 1itb s SER 17 CO 0.32 -1.44 -0.21 -0.76 0.41 0.00 0.00 173.24 171.55 1itb s LEU 18 N -5.00 2.40 0.25 2.44 1.43 -1.26 -1.39 118.68 117.55 1itb s LEU 18 Ca 0.60 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1itb s LEU 18 Cb -0.09 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1itb s LEU 18 CO 0.42 0.28 0.30 0.68 0.23 0.00 0.00 176.35 178.26 1itb s VAL 19 N -0.80 0.00 0.04 -1.59 -7.23 0.14 -2.53 120.40 108.43 1itb s VAL 19 Ca 0.12 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 1itb s VAL 19 Cb -0.10 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1itb s VAL 19 CO 0.02 0.00 0.94 -0.32 -0.31 0.00 0.00 175.10 175.43 1itb s MET 20 N -3.84 4.60 -0.77 4.82 1.75 -1.26 -0.90 119.30 123.70 1itb s MET 20 Ca 0.33 1.37 0.02 0.00 -1.25 0.00 0.00 55.69 56.16 1itb s MET 20 Cb 0.03 -3.42 0.32 0.00 2.84 0.00 0.00 34.83 34.60 1itb s MET 20 CO 0.15 0.08 1.27 0.45 -0.65 0.00 0.00 175.02 176.31 1itb n SER 21 N 3.40 5.54 -1.40 1.11 2.88 -0.58 -4.82 113.62 119.74 1itb n SER 21 Ca 0.03 -3.65 -0.00 0.00 -1.33 0.00 0.00 58.87 53.92 1itb n SER 21 Cb 0.50 -0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1itb n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1itb n GLY 22 N 0.02 -3.54 1.35 0.46 0.00 -1.26 -4.46 105.19 97.76 1itb n GLY 22 Ca 0.36 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1itb n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1itb n PRO 23 N 0.44 0.00 0.00 1.61 -0.02 -1.26 -2.80 135.00 132.97 1itb n PRO 23 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1itb n PRO 23 Cb 0.03 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 1itb n PRO 23 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1itb n TYR 24 N 1.70 0.00 -3.61 6.00 4.01 -1.26 -5.10 117.16 118.90 1itb n TYR 24 Ca 0.13 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.71 1itb n TYR 24 Cb -0.02 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 1itb n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1itb s GLU 25 N -0.50 0.89 0.18 -0.72 2.12 -1.12 -4.15 118.70 115.40 1itb s GLU 25 Ca 0.00 0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.67 1itb s GLU 25 Cb 0.00 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 1itb s GLU 25 CO 0.00 -0.24 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.80 1itb s LEU 26 N -0.92 2.49 0.03 2.70 1.02 -1.26 -1.53 118.68 121.20 1itb s LEU 26 Ca -0.09 -0.93 -0.11 0.00 0.02 0.00 0.00 54.13 53.02 1itb s LEU 26 Cb -0.02 -0.74 0.01 0.00 0.02 0.00 0.00 46.19 45.45 1itb s LEU 26 CO 0.07 -0.10 0.22 -1.59 0.02 0.00 0.00 176.35 174.97 1itb s LYS 27 N -3.16 0.68 -0.11 1.70 -2.85 -0.08 -0.69 119.74 115.23 1itb s LYS 27 Ca 0.18 -0.52 0.01 0.00 -1.00 0.00 0.00 55.97 54.64 1itb s LYS 27 Cb -0.04 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1itb s LYS 27 CO 0.07 -0.20 -0.15 0.00 0.10 0.00 0.00 175.35 175.17 1itb s ALA 28 N -2.24 2.57 0.18 0.59 0.00 -0.84 0.28 121.76 122.31 1itb s ALA 28 Ca -0.08 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 1itb s ALA 28 Cb -0.02 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 22.01 1itb s ALA 28 CO -0.02 0.31 0.49 -0.48 0.00 0.00 0.00 175.76 176.07 1itb s LEU 29 N 0.14 0.14 -0.07 0.00 2.34 -0.49 -1.83 118.68 118.91 1itb s LEU 29 Ca -0.08 -0.44 -0.23 0.00 0.06 0.00 0.00 54.13 53.45 1itb s LEU 29 Cb -0.15 2.07 -0.04 0.00 -0.56 0.00 0.00 46.19 47.51 1itb s LEU 29 CO 0.05 -1.00 0.67 -1.00 -1.06 0.00 0.00 176.35 174.01 1itb s HIS 30 N -3.86 3.57 -0.13 3.48 3.76 -1.26 -0.44 115.29 120.41 1itb s HIS 30 Ca 0.08 1.20 -0.08 0.00 -0.15 0.00 0.00 55.06 56.11 1itb s HIS 30 Cb -0.00 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 1itb s HIS 30 CO -0.05 0.10 0.16 -0.51 -0.85 0.00 0.00 174.74 173.58 1itb s LEU 31 N 0.78 4.36 0.42 0.89 1.43 -1.26 -4.96 118.68 120.34 1itb s LEU 31 Ca 0.36 0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 53.68 1itb s LEU 31 Cb -0.17 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 1itb s LEU 31 CO 0.17 0.36 1.03 -1.10 0.23 0.00 0.00 176.35 177.04 1itb s GLN 32 N -0.74 4.09 0.00 1.70 -0.21 -1.26 -4.88 119.66 118.36 1itb s GLN 32 Ca 0.14 1.43 0.00 0.00 0.02 0.00 0.00 55.36 56.95 1itb s GLN 32 Cb -0.12 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1itb s GLN 32 CO 0.03 -0.19 0.34 0.41 -2.12 0.00 0.00 175.29 173.76 1itb n GLY 33 N 0.11 -0.03 0.16 3.09 0.00 -1.26 -1.20 105.19 106.05 1itb n GLY 33 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 1itb n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itb n GLN 34 N -0.84 0.54 -0.03 1.61 0.00 -1.26 -4.57 117.38 112.84 1itb n GLN 34 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 57.00 57.17 1itb n GLN 34 Cb 0.25 -1.42 0.02 0.00 0.00 0.00 0.00 30.24 29.09 1itb n GLN 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1itb n ASP 35 N -3.44 0.37 0.27 2.61 8.00 -0.34 -4.41 116.55 119.60 1itb n ASP 35 Ca -0.42 -2.01 0.13 0.00 0.71 0.00 0.00 54.79 53.21 1itb n ASP 35 Cb 0.90 -0.07 0.72 0.00 -0.02 0.00 0.00 41.12 42.64 1itb n ASP 35 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1itb h MET 36 N 0.31 0.00 -0.17 -1.24 2.86 -1.80 -0.06 114.93 114.84 1itb h MET 36 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1itb h MET 36 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1itb h MET 36 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 1itb n GLU 37 N -2.61 1.61 0.04 1.72 4.71 -1.26 -3.63 120.64 121.23 1itb n GLU 37 Ca -0.02 -0.93 0.13 0.00 -0.01 0.00 0.00 57.16 56.33 1itb n GLU 37 Cb 0.29 -1.35 0.32 0.00 -1.01 0.00 0.00 31.44 29.69 1itb n GLU 37 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1itb n GLN 38 N 0.17 0.16 -2.55 3.49 1.13 -0.04 -4.90 117.38 114.84 1itb n GLN 38 Ca 0.15 0.07 -0.38 0.00 -1.94 0.00 0.00 57.00 54.90 1itb n GLN 38 Cb 0.28 -1.63 -0.04 0.00 0.11 0.00 0.00 30.24 28.95 1itb n GLN 38 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1itb s GLN 39 N -3.08 4.37 -0.03 -1.09 -2.07 -1.24 -4.36 119.66 112.15 1itb s GLN 39 Ca 0.10 1.58 -0.30 0.00 -1.82 0.00 0.00 55.36 54.92 1itb s GLN 39 Cb 0.15 -2.79 -0.03 0.00 -1.09 0.00 0.00 33.01 29.25 1itb s GLN 39 CO 0.66 0.03 1.08 0.14 -1.32 0.00 0.00 175.29 175.87 1itb s VAL 40 N -1.48 4.56 -0.12 3.63 -7.23 -1.05 -5.01 120.40 113.69 1itb s VAL 40 Ca 0.52 1.84 -0.19 0.00 -1.81 0.00 0.00 61.98 62.35 1itb s VAL 40 Cb -0.25 -4.18 -0.04 0.00 0.56 0.00 0.00 36.38 32.47 1itb s VAL 40 CO 0.31 0.07 0.51 -0.69 -0.31 0.00 0.00 175.10 175.00 1itb s VAL 41 N 1.59 5.16 0.32 1.32 1.01 -1.26 -4.70 120.40 123.84 1itb s VAL 41 Ca 0.53 1.02 0.04 0.00 0.00 0.00 0.00 61.98 63.57 1itb s VAL 41 Cb -0.22 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1itb s VAL 41 CO 0.24 0.30 0.47 -0.36 0.00 0.00 0.00 175.10 175.75 1itb s PHE 42 N 0.77 3.28 -0.47 5.22 0.08 -0.14 -1.13 117.98 125.59 1itb s PHE 42 Ca 0.27 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.33 1itb s PHE 42 Cb -0.15 -1.89 0.13 0.00 -0.57 0.00 0.00 43.02 40.53 1itb s PHE 42 CO 0.11 0.10 0.23 0.45 -0.10 0.00 0.00 175.22 176.01 1itb s SER 43 N -4.10 4.06 -0.47 1.36 0.15 0.13 -2.27 113.70 112.55 1itb s SER 43 Ca 0.41 -2.76 -0.26 0.00 0.70 0.00 0.00 55.95 54.04 1itb s SER 43 Cb -0.09 -1.36 0.03 0.00 -1.71 0.00 0.00 66.02 62.88 1itb s SER 43 CO 0.32 -0.26 0.99 -0.32 1.20 0.00 0.00 173.24 175.17 1itb s MET 44 N 0.10 3.58 -0.04 5.44 1.75 0.18 -2.93 119.30 127.39 1itb s MET 44 Ca 0.17 0.27 -0.07 0.00 -1.25 0.00 0.00 55.69 54.81 1itb s MET 44 Cb -0.25 -3.92 -0.05 0.00 2.84 0.00 0.00 34.83 33.45 1itb s MET 44 CO -0.01 -1.28 0.23 -1.12 -0.65 0.00 0.00 175.02 172.19 1itb s SER 45 N 2.34 6.48 -0.69 1.11 0.01 -0.51 -1.51 113.70 120.93 1itb s SER 45 Ca 0.40 0.55 -0.20 0.00 1.31 0.00 0.00 55.95 58.01 1itb s SER 45 Cb -0.09 -2.09 0.10 0.00 0.21 0.00 0.00 66.02 64.15 1itb s SER 45 CO 0.28 0.32 0.89 -0.36 0.41 0.00 0.00 173.24 174.77 1itb s PHE 46 N -1.18 2.92 0.35 2.43 0.08 0.11 -1.02 117.98 121.67 1itb s PHE 46 Ca 0.23 -0.91 -0.03 0.00 0.12 0.00 0.00 56.93 56.34 1itb s PHE 46 Cb -0.13 -4.17 -0.04 0.00 -0.57 0.00 0.00 43.02 38.11 1itb s PHE 46 CO 0.12 -1.46 0.60 0.14 -0.10 0.00 0.00 175.22 174.52 1itb s VAL 47 N 3.14 5.03 -0.10 -0.44 -7.23 -1.18 -4.43 120.40 115.20 1itb s VAL 47 Ca 0.20 -0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.05 1itb s VAL 47 Cb -0.17 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 32.91 1itb s VAL 47 CO 0.04 -0.54 0.46 -1.10 -0.31 0.00 0.00 175.10 173.66 1itb s GLN 48 N -4.13 4.28 0.00 4.82 -1.52 0.64 -4.53 119.66 119.23 1itb s GLN 48 Ca 0.43 0.43 0.00 0.00 -1.95 0.00 0.00 55.36 54.27 1itb s GLN 48 Cb -0.10 -3.40 0.00 0.00 -0.22 0.00 0.00 33.01 29.29 1itb s GLN 48 CO 0.36 0.25 0.00 0.41 -0.25 0.00 0.00 175.29 176.05 1itb n GLY 49 N 3.04 4.10 3.48 3.09 0.00 -1.26 -4.63 105.19 113.02 1itb n GLY 49 Ca -0.08 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 1itb n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1itb s GLU 50 N 4.80 3.91 -0.80 1.61 0.41 -1.26 -4.94 118.70 122.43 1itb s GLU 50 Ca 0.00 -2.18 -0.25 0.00 -0.41 0.00 0.00 54.97 52.12 1itb s GLU 50 Cb 0.00 -5.10 -0.05 0.00 -1.78 0.00 0.00 34.13 27.20 1itb s GLU 50 CO 0.00 -1.86 1.96 -1.21 -0.49 0.00 0.00 175.26 173.66 1itb s GLU 51 N 2.45 2.50 0.00 1.61 2.02 -1.26 -4.77 118.70 121.25 1itb s GLU 51 Ca 0.42 0.08 0.17 0.00 0.02 0.00 0.00 54.97 55.66 1itb s GLU 51 Cb -0.02 -4.83 0.60 0.00 0.10 0.00 0.00 34.13 29.98 1itb s GLU 51 CO -0.02 -3.25 1.45 0.45 0.02 0.00 0.00 175.26 173.91 1itb n SER 52 N 13.95 1.73 0.00 -0.19 2.88 -1.25 -4.97 113.62 125.77 1itb n SER 52 Ca 0.34 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 1itb n SER 52 Cb 0.48 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1itb n SER 52 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1itb n ASN 53 N 0.38 0.00 -0.31 -3.46 4.05 -1.26 -4.33 115.26 110.34 1itb n ASN 53 Ca 0.15 0.00 0.09 0.00 0.45 0.00 0.00 54.58 55.27 1itb n ASN 53 Cb 0.32 0.00 0.41 0.00 1.23 0.00 0.00 39.78 41.73 1itb n ASN 53 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1itb n ASP 54 N 2.98 0.92 -3.97 1.20 5.68 -1.26 -4.78 116.55 117.31 1itb n ASP 54 Ca 0.00 -1.63 -0.09 0.00 -0.50 0.00 0.00 54.79 52.57 1itb n ASP 54 Cb 0.00 -0.07 -0.11 0.00 -1.14 0.00 0.00 41.12 39.81 1itb n ASP 54 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1itb s LYS 55 N -1.87 0.41 -0.19 0.11 1.02 -1.26 -4.55 119.74 113.40 1itb s LYS 55 Ca 0.28 -0.68 -0.05 0.00 0.02 0.00 0.00 55.97 55.54 1itb s LYS 55 Cb 0.14 0.15 0.07 0.00 -0.52 0.00 0.00 37.83 37.67 1itb s LYS 55 CO 0.22 -0.08 0.12 0.42 -0.92 0.00 0.00 175.35 175.12 1itb s ILE 56 N -1.92 -0.14 0.34 2.17 1.01 -1.16 -3.93 121.20 117.57 1itb s ILE 56 Ca -0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 1itb s ILE 56 Cb -0.06 -0.64 -0.11 0.00 0.01 0.00 0.00 42.46 41.65 1itb s ILE 56 CO -0.02 -0.32 1.52 -0.81 0.00 0.00 0.00 174.94 175.32 1itb n PRO 57 N 5.29 2.65 -4.13 2.79 -0.04 -1.26 -0.51 135.00 139.78 1itb n PRO 57 Ca -0.06 0.93 -0.11 0.00 -0.04 0.00 0.00 63.50 64.22 1itb n PRO 57 Cb 0.48 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.17 1itb n PRO 57 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1itb s VAL 58 N -0.60 0.04 -0.07 0.52 -7.23 0.12 -3.09 120.40 110.08 1itb s VAL 58 Ca 0.58 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1itb s VAL 58 Cb -0.49 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1itb s VAL 58 CO 0.57 -0.19 -0.18 0.00 -0.31 0.00 0.00 175.10 174.99 1itb s ALA 59 N -4.08 1.68 -0.30 1.32 0.00 -0.19 -2.15 121.76 118.03 1itb s ALA 59 Ca 0.30 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1itb s ALA 59 Cb 0.06 -0.65 0.05 0.00 0.00 0.00 0.00 23.12 22.57 1itb s ALA 59 CO 0.07 0.22 0.02 -0.51 0.00 0.00 0.00 175.76 175.55 1itb s LEU 60 N 0.42 3.94 0.05 0.00 1.43 -1.26 -1.43 118.68 121.84 1itb s LEU 60 Ca -0.14 -1.23 0.06 0.00 -1.03 0.00 0.00 54.13 51.79 1itb s LEU 60 Cb -0.16 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1itb s LEU 60 CO 0.06 -0.27 -0.16 -0.83 0.23 0.00 0.00 176.35 175.38 1itb s GLY 61 N 1.28 0.93 -0.02 -3.19 0.00 -1.15 -0.52 107.32 104.66 1itb s GLY 61 Ca -0.04 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.41 1itb s GLY 61 CO -0.00 -0.94 1.59 1.08 0.00 0.00 0.00 173.10 174.82 1itb s LEU 62 N -1.36 4.33 0.00 0.66 2.01 0.00 0.19 118.68 124.50 1itb s LEU 62 Ca 0.03 2.25 0.00 0.00 0.01 0.00 0.00 54.13 56.42 1itb s LEU 62 Cb -0.09 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.57 1itb s LEU 62 CO 0.02 -0.87 0.00 1.17 1.01 0.00 0.00 176.35 177.68 1itb n LYS 63 N 6.38 0.00 -2.57 1.70 4.81 -0.28 -2.50 118.16 125.69 1itb n LYS 63 Ca 0.16 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.29 1itb n LYS 63 Cb 0.42 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.47 1itb n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1itb n GLU 64 N 0.00 3.52 0.00 1.64 1.02 -1.26 -4.53 120.64 121.03 1itb n GLU 64 Ca 0.00 -4.50 0.00 0.00 -0.02 0.00 0.00 57.16 52.64 1itb n GLU 64 Cb 0.00 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 1itb n GLU 64 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1itb n LYS 65 N -0.36 0.64 -3.85 3.49 5.02 -1.04 -5.05 118.16 117.01 1itb n LYS 65 Ca 0.40 -0.27 -0.33 0.00 -2.02 0.00 0.00 58.31 56.08 1itb n LYS 65 Cb 0.46 -0.74 0.02 0.00 -0.02 0.00 0.00 35.03 34.75 1itb n LYS 65 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1itb n ASN 66 N -0.17 -3.53 -3.90 4.39 3.02 -1.23 -4.99 115.26 108.85 1itb n ASN 66 Ca 0.00 -1.08 -0.13 0.00 -0.03 0.00 0.00 54.58 53.35 1itb n ASN 66 Cb 0.05 -2.91 -0.14 0.00 -0.61 0.00 0.00 39.78 36.18 1itb n ASN 66 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1itb s LEU 67 N -6.83 2.02 -0.04 3.41 1.43 -1.26 -3.49 118.68 113.92 1itb s LEU 67 Ca 0.34 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1itb s LEU 67 Cb -0.14 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.05 1itb s LEU 67 CO 0.89 -0.01 -0.07 -0.31 0.23 0.00 0.00 176.35 177.08 1itb s TYR 68 N -0.14 0.91 0.05 0.29 2.02 -0.01 -0.82 117.35 119.66 1itb s TYR 68 Ca -0.01 -0.27 -0.31 0.00 -0.37 0.00 0.00 57.07 56.12 1itb s TYR 68 Cb -0.01 -0.73 -0.07 0.00 -0.40 0.00 0.00 41.96 40.75 1itb s TYR 68 CO -0.00 -0.18 1.37 -0.51 -1.57 0.00 0.00 175.55 174.66 1itb s LEU 69 N 0.66 4.35 0.13 -1.29 1.02 0.32 -2.17 118.68 121.71 1itb s LEU 69 Ca -0.10 2.19 0.02 0.00 0.02 0.00 0.00 54.13 56.26 1itb s LEU 69 Cb -0.13 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 1itb s LEU 69 CO 0.01 -0.66 -0.04 -0.94 0.02 0.00 0.00 176.35 174.74 1itb s SER 70 N 1.47 1.24 -0.13 2.29 1.04 -0.48 -4.35 113.70 114.78 1itb s SER 70 Ca 0.64 -1.08 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1itb s SER 70 Cb -0.33 0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.89 1itb s SER 70 CO 0.28 -0.49 -0.21 0.00 0.98 0.00 0.00 173.24 173.80 1itb s VAL 72 N 0.83 0.82 -0.23 0.00 -7.23 -0.59 -4.58 120.40 109.42 1itb s VAL 72 Ca -0.07 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.90 1itb s VAL 72 Cb -0.15 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1itb s VAL 72 CO -0.01 -0.20 0.53 -0.22 -0.31 0.00 0.00 175.10 174.89 1itb s LEU 73 N -3.30 4.10 -0.24 1.32 2.96 -1.26 -0.96 118.68 121.29 1itb s LEU 73 Ca 0.32 0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1itb s LEU 73 Cb 0.07 -2.71 0.07 0.00 0.50 0.00 0.00 46.19 44.11 1itb s LEU 73 CO 0.10 -0.25 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.13 1itb s LYS 74 N 2.01 1.25 -0.76 1.98 2.36 -0.73 -4.75 119.74 121.11 1itb s LYS 74 Ca 0.23 -0.91 -0.02 0.00 -2.55 0.00 0.00 55.97 52.72 1itb s LYS 74 Cb -0.16 -2.43 0.00 0.00 -1.05 0.00 0.00 37.83 34.20 1itb s LYS 74 CO 0.09 -0.68 0.29 -0.25 1.55 0.00 0.00 175.35 176.35 1itb n ASP 75 N 4.76 -3.75 -0.81 1.43 9.92 -1.26 -2.70 116.55 124.14 1itb n ASP 75 Ca -0.09 -0.13 -0.11 0.00 -0.53 0.00 0.00 54.79 53.93 1itb n ASP 75 Cb 0.44 -2.67 -0.05 0.00 -0.64 0.00 0.00 41.12 38.21 1itb n ASP 75 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1itb n ASP 76 N -0.30 -4.63 -4.03 -2.24 8.00 -1.26 -4.99 116.55 107.10 1itb n ASP 76 Ca -0.06 0.26 -0.23 0.00 0.71 0.00 0.00 54.79 55.47 1itb n ASP 76 Cb 0.56 -3.06 -0.16 0.00 -0.02 0.00 0.00 41.12 38.44 1itb n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1itb s LYS 77 N -2.75 1.36 0.14 -1.24 -0.14 -1.10 -5.10 119.74 110.92 1itb s LYS 77 Ca 0.00 -0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 53.91 1itb s LYS 77 Cb 0.00 -1.20 -0.10 0.00 -1.68 0.00 0.00 37.83 34.86 1itb s LYS 77 CO 0.00 0.10 1.57 -2.14 -0.76 0.00 0.00 175.35 174.11 1itb s PRO 78 N 0.38 4.22 0.02 -1.68 0.02 -1.26 -1.77 135.00 134.92 1itb s PRO 78 Ca -0.08 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1itb s PRO 78 Cb -0.12 -3.24 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 1itb s PRO 78 CO 0.02 -0.62 -0.03 0.95 -0.33 0.00 0.00 177.00 177.00 1itb s THR 79 N 1.40 0.12 0.26 0.99 -4.23 -0.13 -4.83 115.64 109.22 1itb s THR 79 Ca 0.70 -0.65 -0.19 0.00 -1.18 0.00 0.00 61.69 60.37 1itb s THR 79 Cb -0.43 -0.22 -0.09 0.00 1.34 0.00 0.00 72.50 73.11 1itb s THR 79 CO 0.31 -0.34 0.74 -0.22 -0.54 0.00 0.00 174.62 174.58 1itb s LEU 80 N -1.03 4.26 0.06 4.79 2.96 -1.26 -1.54 118.68 126.91 1itb s LEU 80 Ca -0.11 1.41 -0.25 0.00 -0.22 0.00 0.00 54.13 54.96 1itb s LEU 80 Cb -0.07 -3.76 0.06 0.00 0.50 0.00 0.00 46.19 42.92 1itb s LEU 80 CO -0.01 -0.04 0.60 0.00 -1.32 0.00 0.00 176.35 175.58 1itb s GLN 81 N -2.27 1.13 -0.19 1.98 -2.07 -0.75 -4.86 119.66 112.64 1itb s GLN 81 Ca 0.47 -0.16 -0.07 0.00 -1.82 0.00 0.00 55.36 53.78 1itb s GLN 81 Cb -0.15 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.26 1itb s GLN 81 CO 0.20 -0.43 0.05 -0.51 -1.32 0.00 0.00 175.29 173.28 1itb s LEU 82 N -2.00 3.72 0.00 2.60 1.02 -1.26 -1.38 118.68 121.38 1itb s LEU 82 Ca -0.05 0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.16 1itb s LEU 82 Cb -0.01 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1itb s LEU 82 CO -0.02 0.15 -0.09 -1.83 0.02 0.00 0.00 176.35 174.59 1itb s GLU 83 N 0.48 0.67 0.50 1.70 -1.05 -0.92 -4.87 118.70 115.20 1itb s GLU 83 Ca 0.02 -0.35 -0.14 0.00 -0.15 0.00 0.00 54.97 54.35 1itb s GLU 83 Cb -0.13 -0.64 -0.07 0.00 -0.44 0.00 0.00 34.13 32.86 1itb s GLU 83 CO 0.01 0.17 0.93 -1.54 0.95 0.00 0.00 175.26 175.78 1itb s SER 84 N -0.35 6.52 0.28 0.83 1.04 -1.26 -0.83 113.70 119.94 1itb s SER 84 Ca 0.02 1.40 0.06 0.00 0.48 0.00 0.00 55.95 57.92 1itb s SER 84 Cb -0.04 -2.44 -0.02 0.00 0.10 0.00 0.00 66.02 63.62 1itb s SER 84 CO -0.00 -0.58 0.22 1.33 0.98 0.00 0.00 173.24 175.19 1itb n VAL 85 N -1.71 0.00 -2.90 5.02 0.24 -1.23 -4.92 118.33 112.83 1itb n VAL 85 Ca 0.05 -2.00 -0.41 0.00 -2.04 0.00 0.00 64.34 59.94 1itb n VAL 85 Cb 0.54 0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 33.84 1itb n VAL 85 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1itb s ASP 86 N -2.93 7.00 0.52 -1.34 -1.08 -1.26 -4.93 116.67 112.64 1itb s ASP 86 Ca 0.31 1.22 0.22 0.00 -0.52 0.00 0.00 52.55 53.78 1itb s ASP 86 Cb 0.02 -2.46 1.39 0.00 -1.46 0.00 0.00 42.92 40.41 1itb s ASP 86 CO 0.22 -0.34 2.12 1.55 0.52 0.00 0.00 175.17 179.24 1itb h PRO 87 N 7.18 0.00 -0.04 4.34 0.13 -1.95 -1.84 132.00 139.81 1itb h PRO 87 Ca -0.32 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.62 1itb h PRO 87 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1itb h PRO 87 CO 0.81 0.08 -0.72 -0.22 -0.23 0.00 0.00 178.00 177.73 1itb h LYS 88 N 0.00 0.56 0.00 0.86 3.64 -2.02 -3.26 116.57 116.34 1itb h LYS 88 Ca -0.00 -0.55 -0.10 0.00 -1.27 0.00 0.00 60.65 58.74 1itb h LYS 88 Cb 0.17 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1itb h LYS 88 CO 0.01 1.17 -0.47 -0.91 -2.27 0.00 0.00 179.45 176.98 1itb h ASN 89 N 0.15 0.00 -3.13 4.20 4.21 -1.96 -3.46 115.58 115.59 1itb h ASN 89 Ca -0.08 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.80 1itb h ASN 89 Cb 1.39 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.47 1itb h ASN 89 CO 0.14 0.47 -0.66 -0.31 -1.29 0.00 0.00 177.43 175.78 1itb s TYR 90 N -3.25 2.92 0.40 1.19 1.51 -0.70 -4.14 117.35 115.27 1itb s TYR 90 Ca 0.02 -0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.83 1itb s TYR 90 Cb 0.09 -1.46 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 1itb s TYR 90 CO 0.72 0.49 0.84 -1.25 -1.11 0.00 0.00 175.55 175.24 1itb s PRO 91 N -2.62 4.03 0.20 -1.71 0.04 -1.26 -4.77 135.00 128.92 1itb s PRO 91 Ca 0.26 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.20 1itb s PRO 91 Cb -0.11 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1itb s PRO 91 CO 0.18 0.01 -0.02 0.15 0.04 0.00 0.00 177.00 177.36 1itb s LYS 92 N -3.34 2.28 0.36 4.56 1.02 -1.26 -4.81 119.74 118.55 1itb s LYS 92 Ca 0.57 -1.25 0.22 0.00 0.02 0.00 0.00 55.97 55.53 1itb s LYS 92 Cb -0.10 -2.25 0.22 0.00 -0.52 0.00 0.00 37.83 35.19 1itb s LYS 92 CO 0.20 0.42 1.43 1.57 -0.92 0.00 0.00 175.35 178.05 1itb h LYS 93 N 2.49 0.00 -3.54 1.68 2.10 -1.89 -3.38 116.57 114.04 1itb h LYS 93 Ca -0.46 0.00 -0.76 0.00 -2.00 0.00 0.00 60.65 57.43 1itb h LYS 93 Cb 1.22 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 32.24 1itb h LYS 93 CO 0.58 0.04 0.13 0.15 -2.00 0.00 0.00 179.45 178.35 1itb s LYS 94 N -3.23 3.63 -0.01 0.07 -0.14 -1.26 -0.26 119.74 118.55 1itb s LYS 94 Ca 0.05 -3.02 -0.14 0.00 -1.36 0.00 0.00 55.97 51.49 1itb s LYS 94 Cb 0.06 -4.26 -0.06 0.00 -1.68 0.00 0.00 37.83 31.90 1itb s LYS 94 CO 0.71 -1.25 0.40 1.41 -0.76 0.00 0.00 175.35 175.86 1itb s MET 95 N -0.90 3.91 0.35 1.68 1.75 -1.26 -5.05 119.30 119.78 1itb s MET 95 Ca 0.26 0.38 -0.29 0.00 -1.25 0.00 0.00 55.69 54.80 1itb s MET 95 Cb -0.10 -3.23 -0.11 0.00 2.84 0.00 0.00 34.83 34.23 1itb s MET 95 CO -0.09 0.68 1.53 0.39 -0.65 0.00 0.00 175.02 176.88 1itb n GLU 96 N 1.89 2.71 -0.43 4.11 4.71 -1.26 -4.86 120.64 127.51 1itb n GLU 96 Ca -0.14 0.95 0.36 0.00 -0.01 0.00 0.00 57.16 58.32 1itb n GLU 96 Cb 0.52 -2.71 0.64 0.00 -1.01 0.00 0.00 31.44 28.89 1itb n GLU 96 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1itb h LYS 97 N 3.60 0.12 -0.94 3.49 6.56 -1.96 -2.16 116.57 125.27 1itb h LYS 97 Ca -0.50 -0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.16 1itb h LYS 97 Cb 1.23 -0.03 -0.07 0.00 -0.57 0.00 0.00 32.23 32.80 1itb h LYS 97 CO 0.69 0.08 0.59 0.07 -2.06 0.00 0.00 179.45 178.82 1itb h ARG 98 N 0.12 1.01 -0.06 3.15 0.11 -1.89 -0.96 114.38 115.87 1itb h ARG 98 Ca 0.78 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.80 1itb h ARG 98 Cb 2.46 -0.23 0.00 0.00 1.11 0.00 0.00 29.97 33.32 1itb h ARG 98 CO -0.35 0.67 0.00 1.19 0.10 0.00 0.00 179.97 181.58 1itb n PHE 99 N -4.58 0.07 -3.59 4.08 3.72 -0.81 -0.74 117.46 115.60 1itb n PHE 99 Ca 0.15 -0.03 -0.37 0.00 -0.05 0.00 0.00 57.45 57.14 1itb n PHE 99 Cb 0.21 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.66 1itb n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1itb s VAL 100 N -1.93 5.31 -0.02 -4.37 1.01 -0.36 -4.25 120.40 115.79 1itb s VAL 100 Ca 0.31 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1itb s VAL 100 Cb 0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1itb s VAL 100 CO 0.24 0.29 -0.22 -0.36 0.00 0.00 0.00 175.10 175.05 1itb s PHE 101 N 1.37 2.02 -0.34 5.22 0.40 -0.91 -0.37 117.98 125.36 1itb s PHE 101 Ca 0.09 -0.41 -0.20 0.00 -0.60 0.00 0.00 56.93 55.81 1itb s PHE 101 Cb -0.15 -1.31 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 1itb s PHE 101 CO 0.07 -0.06 0.60 -0.80 0.70 0.00 0.00 175.22 175.73 1itb s ASN 102 N -0.46 6.41 -0.66 1.36 0.01 0.69 0.13 114.94 122.42 1itb s ASN 102 Ca 0.07 0.17 -0.28 0.00 -0.71 0.00 0.00 52.86 52.11 1itb s ASN 102 Cb -0.09 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.29 1itb s ASN 102 CO -0.00 -0.53 1.26 -0.75 -1.51 0.00 0.00 177.10 175.57 1itb s LYS 103 N 2.59 3.33 -0.23 -0.60 2.20 0.34 -2.39 119.74 124.97 1itb s LYS 103 Ca 0.23 0.02 -0.10 0.00 -0.36 0.00 0.00 55.97 55.76 1itb s LYS 103 Cb -0.15 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.01 1itb s LYS 103 CO 0.14 -1.95 0.15 0.42 -0.36 0.00 0.00 175.35 173.75 1itb s ILE 104 N 5.48 5.32 -0.33 5.43 1.01 -0.69 -3.00 121.20 134.42 1itb s ILE 104 Ca 0.40 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.19 1itb s ILE 104 Cb -0.08 -3.47 0.06 0.00 0.01 0.00 0.00 42.46 38.99 1itb s ILE 104 CO 0.20 0.37 0.06 -0.70 0.00 0.00 0.00 174.94 174.87 1itb s GLU 105 N 0.93 2.32 0.00 2.79 2.12 -1.26 -1.36 118.70 124.24 1itb s GLU 105 Ca 0.07 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 54.00 1itb s GLU 105 Cb -0.13 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1itb s GLU 105 CO 0.03 -0.74 0.00 -0.89 -0.54 0.00 0.00 175.26 173.12 1itb n ILE 106 N 4.62 0.00 -2.92 -3.70 2.08 -0.98 -4.74 119.36 113.72 1itb n ILE 106 Ca -0.10 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.86 1itb n ILE 106 Cb 0.43 -0.27 -0.02 0.00 -0.75 0.00 0.00 39.64 39.04 1itb n ILE 106 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1itb n ASN 107 N -0.43 5.74 -1.50 4.38 4.13 -1.26 -4.64 115.26 121.68 1itb n ASN 107 Ca 0.00 -3.60 -0.19 0.00 1.68 0.00 0.00 54.58 52.46 1itb n ASN 107 Cb 0.00 -0.92 -0.08 0.00 -1.54 0.00 0.00 39.78 37.24 1itb n ASN 107 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1itb n ASN 108 N 0.27 -5.34 -4.21 6.41 4.05 -1.26 -4.95 115.26 110.23 1itb n ASN 108 Ca 0.36 0.47 -0.36 0.00 0.45 0.00 0.00 54.58 55.50 1itb n ASN 108 Cb 0.34 -4.54 -0.13 0.00 1.23 0.00 0.00 39.78 36.67 1itb n ASN 108 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1itb s LYS 109 N -3.66 2.57 0.07 1.20 2.47 -1.26 -4.86 119.74 116.27 1itb s LYS 109 Ca 0.00 -1.18 -0.29 0.00 -1.56 0.00 0.00 55.97 52.94 1itb s LYS 109 Cb 0.00 -3.21 -0.05 0.00 -1.46 0.00 0.00 37.83 33.11 1itb s LYS 109 CO 0.00 -0.58 0.93 -0.51 0.16 0.00 0.00 175.35 175.35 1itb s LEU 110 N 1.31 4.46 0.09 5.43 1.43 -0.68 -2.32 118.68 128.39 1itb s LEU 110 Ca -0.03 1.70 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 1itb s LEU 110 Cb -0.19 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1itb s LEU 110 CO -0.01 -0.10 -0.20 -1.61 0.23 0.00 0.00 176.35 174.66 1itb s GLU 111 N 0.26 1.13 -0.35 1.70 2.02 -0.46 -0.01 118.70 122.99 1itb s GLU 111 Ca 0.47 -1.09 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1itb s GLU 111 Cb -0.22 -1.34 0.10 0.00 0.10 0.00 0.00 34.13 32.77 1itb s GLU 111 CO 0.28 0.32 0.10 -0.06 0.02 0.00 0.00 175.26 175.92 1itb s PHE 112 N -1.10 2.77 0.28 1.61 0.40 -1.26 -1.71 117.98 118.98 1itb s PHE 112 Ca 0.06 -2.47 -0.20 0.00 -0.60 0.00 0.00 56.93 53.71 1itb s PHE 112 Cb -0.10 -2.36 -0.09 0.00 0.51 0.00 0.00 43.02 40.98 1itb s PHE 112 CO 0.03 -0.90 0.80 -2.00 0.70 0.00 0.00 175.22 173.86 1itb s GLU 113 N 1.06 4.28 -0.16 0.44 2.12 -1.01 -1.94 118.70 123.50 1itb s GLU 113 Ca 0.11 0.95 -0.25 0.00 0.36 0.00 0.00 54.97 56.15 1itb s GLU 113 Cb -0.19 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.47 1itb s GLU 113 CO -0.14 0.29 0.80 0.45 -0.54 0.00 0.00 175.26 176.12 1itb s SER 114 N -1.81 6.95 0.20 -1.70 0.15 -0.29 -0.23 113.70 116.97 1itb s SER 114 Ca 0.48 1.16 -0.10 0.00 0.70 0.00 0.00 55.95 58.19 1itb s SER 114 Cb -0.15 -2.44 0.13 0.00 -1.71 0.00 0.00 66.02 61.84 1itb s SER 114 CO 0.20 -0.35 1.79 0.00 1.20 0.00 0.00 173.24 176.07 1itb h ALA 115 N 7.27 0.92 0.50 5.45 0.00 -0.97 -1.54 119.26 130.88 1itb h ALA 115 Ca -0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1itb h ALA 115 Cb 1.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1itb h ALA 115 CO 0.82 0.48 -0.24 0.37 0.00 0.00 0.00 179.25 180.68 1itb h GLN 116 N 0.99 -0.64 -2.60 0.00 5.75 -1.69 -3.36 115.11 113.57 1itb h GLN 116 Ca 0.24 0.04 -0.66 0.00 -0.15 0.00 0.00 58.65 58.13 1itb h GLN 116 Cb 0.12 0.15 -0.38 0.00 1.07 0.00 0.00 27.48 28.43 1itb h GLN 116 CO -0.03 -0.39 -0.23 1.19 -2.65 0.00 0.00 178.83 176.73 1itb n PHE 117 N -5.34 3.41 -1.44 3.99 3.72 -1.10 -5.08 117.46 115.60 1itb n PHE 117 Ca -0.12 -3.84 -0.39 0.00 -0.05 0.00 0.00 57.45 53.05 1itb n PHE 117 Cb 0.30 -0.80 0.03 0.00 -0.94 0.00 0.00 39.48 38.06 1itb n PHE 117 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1itb n PRO 118 N 1.26 0.50 -1.06 -1.08 -0.04 -0.60 -2.54 135.00 131.44 1itb n PRO 118 Ca 0.27 0.19 -0.02 0.00 -0.04 0.00 0.00 63.50 63.90 1itb n PRO 118 Cb 0.38 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1itb n PRO 118 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1itb n ASN 119 N 0.91 -3.33 -3.74 3.54 5.03 -1.26 -4.97 115.26 111.43 1itb n ASN 119 Ca 0.11 0.05 -0.22 0.00 0.87 0.00 0.00 54.58 55.39 1itb n ASN 119 Cb 0.45 -1.03 -0.18 0.00 -1.02 0.00 0.00 39.78 38.01 1itb n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1itb s TRP 120 N -2.06 0.53 0.29 3.10 0.52 -1.05 -4.50 118.94 115.77 1itb s TRP 120 Ca 0.00 -0.09 0.09 0.00 0.02 0.00 0.00 56.10 56.12 1itb s TRP 120 Cb 0.00 -0.73 -0.06 0.00 -1.15 0.00 0.00 33.47 31.53 1itb s TRP 120 CO 0.00 -0.31 -0.12 0.71 0.02 0.00 0.00 176.95 177.25 1itb s TYR 121 N 2.02 2.14 0.06 -1.98 1.51 -0.27 -1.14 117.35 119.69 1itb s TYR 121 Ca 0.05 -0.52 -0.31 0.00 -1.01 0.00 0.00 57.07 55.28 1itb s TYR 121 Cb -0.12 -1.12 -0.08 0.00 -0.11 0.00 0.00 41.96 40.53 1itb s TYR 121 CO -0.05 0.50 1.64 0.42 -1.11 0.00 0.00 175.55 176.95 1itb s ILE 122 N -2.75 3.12 0.22 2.71 1.01 -0.82 -0.47 121.20 124.21 1itb s ILE 122 Ca 0.29 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.50 1itb s ILE 122 Cb 0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1itb s ILE 122 CO 0.13 -0.01 0.01 -0.44 0.00 0.00 0.00 174.94 174.64 1itb s SER 123 N 2.47 1.60 0.06 3.58 0.01 0.88 -4.46 113.70 117.85 1itb s SER 123 Ca 0.73 -1.23 -0.03 0.00 1.31 0.00 0.00 55.95 56.73 1itb s SER 123 Cb -0.39 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 1itb s SER 123 CO 0.32 -0.56 0.04 0.42 0.41 0.00 0.00 173.24 173.87 1itb s THR 124 N -3.52 0.19 0.30 1.44 -4.23 -0.48 -1.89 115.64 107.45 1itb s THR 124 Ca 0.29 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1itb s THR 124 Cb 0.06 -1.34 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 1itb s THR 124 CO 0.08 -0.85 0.49 -0.44 -0.54 0.00 0.00 174.62 173.37 1itb s SER 125 N -2.74 6.33 0.50 3.99 0.01 -1.26 -1.28 113.70 119.24 1itb s SER 125 Ca 0.04 0.40 0.21 0.00 1.31 0.00 0.00 55.95 57.91 1itb s SER 125 Cb 0.05 -2.01 1.29 0.00 0.21 0.00 0.00 66.02 65.57 1itb s SER 125 CO -0.09 -0.21 2.07 -0.61 0.41 0.00 0.00 173.24 174.81 1itb h GLN 126 N 1.11 0.00 -7.08 12.44 5.75 -1.98 -3.43 115.11 121.92 1itb h GLN 126 Ca -0.50 0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.46 1itb h GLN 126 Cb 1.21 0.00 0.13 0.00 1.07 0.00 0.00 27.48 29.90 1itb h GLN 126 CO 0.63 0.12 0.53 0.00 -2.65 0.00 0.00 178.83 177.46 1itb s ALA 127 N -4.51 2.60 0.29 3.38 0.00 -1.26 -4.98 121.76 117.27 1itb s ALA 127 Ca -0.04 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 1itb s ALA 127 Cb 0.15 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1itb s ALA 127 CO 0.64 -1.34 0.85 -2.00 0.00 0.00 0.00 175.76 173.91 1itb s GLU 128 N -3.18 4.42 -1.25 0.00 2.56 -1.26 -4.16 118.70 115.83 1itb s GLU 128 Ca 0.77 1.12 -0.02 0.00 0.00 0.00 0.00 54.97 56.83 1itb s GLU 128 Cb -0.36 -2.78 0.01 0.00 2.00 0.00 0.00 34.13 33.01 1itb s GLU 128 CO 0.40 0.30 0.17 -1.71 -0.56 0.00 0.00 175.26 173.85 1itb n ASN 129 N 0.52 -4.39 -4.96 -1.70 5.15 -0.76 -5.00 115.26 104.13 1itb n ASN 129 Ca 0.01 -0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.76 1itb n ASN 129 Cb 0.51 -3.67 -0.02 0.00 -0.53 0.00 0.00 39.78 36.07 1itb n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1itb s MET 130 N -5.30 3.46 0.70 1.20 -1.94 -1.22 -4.83 119.30 111.37 1itb s MET 130 Ca 0.11 -0.55 -0.13 0.00 -1.71 0.00 0.00 55.69 53.40 1itb s MET 130 Cb -0.06 -2.78 0.02 0.00 2.01 0.00 0.00 34.83 34.02 1itb s MET 130 CO 0.14 0.30 1.11 -1.25 -0.01 0.00 0.00 175.02 175.30 1itb s PRO 131 N -4.12 2.58 -0.11 2.03 0.04 -1.26 -1.98 135.00 132.18 1itb s PRO 131 Ca 0.37 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.47 1itb s PRO 131 Cb -0.09 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1itb s PRO 131 CO 0.32 -1.42 0.87 0.08 0.04 0.00 0.00 177.00 176.90 1itb s VAL 132 N -2.53 4.89 0.36 -0.36 1.01 0.14 -4.58 120.40 119.32 1itb s VAL 132 Ca 0.65 1.76 0.05 0.00 0.00 0.00 0.00 61.98 64.44 1itb s VAL 132 Cb -0.20 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1itb s VAL 132 CO 0.47 0.08 0.20 2.22 0.00 0.00 0.00 175.10 178.07 1itb n PHE 133 N 4.72 -0.27 -3.66 5.22 -1.74 -0.79 -4.70 117.46 116.25 1itb n PHE 133 Ca 0.05 -2.58 -0.37 0.00 -0.56 0.00 0.00 57.45 53.98 1itb n PHE 133 Cb 0.50 0.12 -0.11 0.00 1.52 0.00 0.00 39.48 41.51 1itb n PHE 133 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1itb s LEU 134 N 0.00 3.88 -0.06 5.98 2.96 -1.26 -0.08 118.68 130.09 1itb s LEU 134 Ca 0.28 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1itb s LEU 134 Cb 0.01 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1itb s LEU 134 CO 0.20 -0.02 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.26 1itb s GLY 135 N 1.55 1.58 -0.01 7.98 0.00 0.38 -4.77 107.32 114.02 1itb s GLY 135 Ca 0.07 -0.94 0.22 0.00 0.00 0.00 0.00 44.72 44.06 1itb s GLY 135 CO 0.08 -0.67 0.68 0.61 0.00 0.00 0.00 173.10 173.79 1itb n GLY 136 N 2.42 -1.04 0.05 0.20 0.00 -1.26 -1.11 105.19 104.45 1itb n GLY 136 Ca -0.17 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1itb n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1itb n THR 137 N -2.02 0.27 0.00 2.61 -1.04 -1.26 -4.68 114.28 108.15 1itb n THR 137 Ca -0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1itb n THR 137 Cb 0.48 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1itb n THR 137 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1itb n LYS 138 N -1.94 0.00 -0.61 -2.82 4.81 -1.26 -3.52 118.16 112.82 1itb n LYS 138 Ca 0.04 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.58 1itb n LYS 138 Cb 0.41 0.00 0.36 0.00 0.02 0.00 0.00 35.03 35.82 1itb n LYS 138 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1itb n GLY 139 N 0.00 2.73 0.35 3.14 0.00 -1.26 -4.32 105.19 105.83 1itb n GLY 139 Ca 0.00 -0.86 0.16 0.00 0.00 0.00 0.00 46.02 45.32 1itb n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1itb h GLY 140 N 4.19 0.00 0.00 -0.02 0.00 -1.97 -3.41 103.07 101.85 1itb h GLY 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1itb h GLY 140 CO 0.22 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.58 1itb n GLN 141 N -3.10 0.00 -2.86 4.80 7.27 -1.26 -5.13 117.38 117.09 1itb n GLN 141 Ca 0.01 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.71 1itb n GLN 141 Cb 0.46 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.05 1itb n GLN 141 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1itb s ASP 142 N 0.00 7.25 -0.12 1.69 1.01 -1.26 -4.67 116.67 120.57 1itb s ASP 142 Ca 0.00 1.73 -0.27 0.00 0.71 0.00 0.00 52.55 54.71 1itb s ASP 142 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1itb s ASP 142 CO 0.00 -0.06 0.92 -0.63 0.21 0.00 0.00 175.17 175.61 1itb s ILE 143 N -1.63 4.84 0.00 0.77 1.01 -0.40 -4.50 121.20 121.29 1itb s ILE 143 Ca 0.49 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.99 1itb s ILE 143 Cb -0.18 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1itb s ILE 143 CO 0.22 0.04 0.83 0.35 0.00 0.00 0.00 174.94 176.38 1itb n THR 144 N 4.53 0.68 -4.69 2.92 -2.24 -1.26 -1.39 114.28 112.83 1itb n THR 144 Ca 0.06 -0.73 -0.34 0.00 -2.27 0.00 0.00 64.05 60.78 1itb n THR 144 Cb 0.49 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 1itb n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1itb s ASP 145 N -0.68 4.47 0.30 3.42 1.01 -1.26 -4.22 116.67 119.71 1itb s ASP 145 Ca 0.00 -0.09 0.05 0.00 0.71 0.00 0.00 52.55 53.22 1itb s ASP 145 Cb 0.00 -1.15 -0.03 0.00 1.01 0.00 0.00 42.92 42.75 1itb s ASP 145 CO 0.00 0.34 0.22 -0.36 0.21 0.00 0.00 175.17 175.58 1itb s PHE 146 N -0.65 1.62 0.10 4.23 0.40 0.98 -1.54 117.98 123.11 1itb s PHE 146 Ca 0.10 -1.55 0.04 0.00 -0.60 0.00 0.00 56.93 54.92 1itb s PHE 146 Cb -0.11 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1itb s PHE 146 CO 0.02 -0.75 -0.11 0.99 0.70 0.00 0.00 175.22 176.07 1itb s THR 147 N -3.60 1.01 -0.00 0.64 2.01 0.06 -1.68 115.64 114.07 1itb s THR 147 Ca 0.39 -1.60 0.05 0.00 0.31 0.00 0.00 61.69 60.83 1itb s THR 147 Cb 0.04 -1.34 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 1itb s THR 147 CO 0.22 -0.50 -0.15 -0.32 -0.69 0.00 0.00 174.62 173.18 1itb s MET 148 N -2.64 1.21 -0.08 4.92 1.75 -1.26 -2.00 119.30 121.20 1itb s MET 148 Ca 0.05 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 1itb s MET 148 Cb -0.04 -1.18 0.01 0.00 2.84 0.00 0.00 34.83 36.46 1itb s MET 148 CO 0.01 0.32 -0.15 -0.65 -0.65 0.00 0.00 175.02 173.90 1itb s GLN 149 N -0.47 2.08 0.16 4.11 -1.52 -1.26 -4.88 119.66 117.88 1itb s GLN 149 Ca 0.06 -0.53 -0.20 0.00 -1.95 0.00 0.00 55.36 52.73 1itb s GLN 149 Cb -0.06 -1.69 -0.08 0.00 -0.22 0.00 0.00 33.01 30.96 1itb s GLN 149 CO -0.00 0.03 0.68 -0.06 -0.25 0.00 0.00 175.29 175.68 1itb s PHE 150 N 0.70 3.75 -1.15 0.91 0.08 -1.26 0.04 117.98 121.04 1itb s PHE 150 Ca -0.13 1.38 -0.09 0.00 0.12 0.00 0.00 56.93 58.20 1itb s PHE 150 Cb -0.16 -2.59 0.25 0.00 -0.57 0.00 0.00 43.02 39.95 1itb s PHE 150 CO 0.03 0.45 1.32 0.28 -0.10 0.00 0.00 175.22 177.21 1itb n VAL 151 N 1.19 4.62 1.08 -0.44 0.31 0.91 -4.58 118.33 121.42 1itb n VAL 151 Ca -0.06 -5.25 0.12 0.00 -0.01 0.00 0.00 64.34 59.14 1itb n VAL 151 Cb 0.50 -2.45 0.12 0.00 -0.91 0.00 0.00 33.84 31.10 1itb n VAL 151 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1itb n SER 152 N 3.22 1.67 0.00 4.52 3.41 -1.26 -4.79 113.62 120.38 1itb n SER 152 Ca 0.29 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1itb n SER 152 Cb 0.39 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1itb n SER 152 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64