#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s h LYS 2 N 0.00 0.79 0.00 2.12 1.57 -2.05 -3.46 116.57 115.55 1k0s h LYS 2 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1k0s h LYS 2 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1k0s h LYS 2 CO 0.00 0.77 0.00 2.41 -0.57 0.00 0.00 179.45 182.06 1k0s n THR 3 N -4.46 0.00 -0.18 -0.16 -1.04 -1.26 -4.38 114.28 102.79 1k0s n THR 3 Ca 0.01 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.95 1k0s n THR 3 Cb 0.22 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.80 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1k0s h LEU 4 N 0.00 0.97 -9.44 -4.42 8.10 -2.09 -3.42 115.31 105.01 1k0s h LEU 4 Ca 0.00 -0.27 -0.54 0.00 0.11 0.00 0.00 57.88 57.18 1k0s h LEU 4 Cb 0.00 -0.26 -0.00 0.00 -0.44 0.00 0.00 40.66 39.96 1k0s h LEU 4 CO 0.00 1.03 0.58 0.00 -4.11 0.00 0.00 178.44 175.94 1k0s s ALA 5 N -5.01 3.40 0.20 0.17 0.00 -1.26 -5.00 121.76 114.26 1k0s s ALA 5 Ca -0.11 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 1k0s s ALA 5 Cb 0.14 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1k0s s ALA 5 CO 0.85 -0.50 1.18 0.16 0.00 0.00 0.00 175.76 177.45 1k0s s ASP 6 N 1.16 7.12 0.19 0.00 1.47 -1.26 -4.94 116.67 120.42 1k0s s ASP 6 Ca 0.58 2.23 -0.33 0.00 1.18 0.00 0.00 52.55 56.21 1k0s s ASP 6 Cb -0.28 -2.61 -0.13 0.00 -0.34 0.00 0.00 42.92 39.56 1k0s s ASP 6 CO 0.28 -0.33 1.57 0.00 0.68 0.00 0.00 175.17 177.36 1k0s n ALA 7 N 2.29 1.64 -2.20 2.11 0.00 -1.26 -4.29 120.51 118.80 1k0s n ALA 7 Ca 0.03 0.43 -0.00 0.00 0.00 0.00 0.00 53.44 53.90 1k0s n ALA 7 Cb 0.45 -2.37 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 1k0s n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k0s n LEU 8 N 3.18 -6.12 0.01 0.00 4.77 -1.26 -5.04 117.00 112.54 1k0s n LEU 8 Ca 0.15 2.52 0.00 0.00 -0.03 0.00 0.00 56.01 58.65 1k0s n LEU 8 Cb 0.31 -3.00 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1k0s n LEU 8 CO 0.63 -2.63 0.00 1.17 -1.33 0.00 0.00 177.39 175.23 1k0s n LYS 9 N 1.62 0.00 -3.90 3.23 0.00 -1.26 -4.79 118.16 113.06 1k0s n LYS 9 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.21 1k0s n LYS 9 Cb 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.98 1k0s n LYS 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k0s s GLU 10 N -2.00 1.12 -0.25 1.64 2.12 -1.26 -3.73 118.70 116.32 1k0s s GLU 10 Ca 0.00 -1.08 -0.23 0.00 0.36 0.00 0.00 54.97 54.02 1k0s s GLU 10 Cb 0.00 0.39 0.07 0.00 0.26 0.00 0.00 34.13 34.85 1k0s s GLU 10 CO 0.00 -0.41 0.67 0.12 -0.54 0.00 0.00 175.26 175.11 1k0s s PHE 11 N -3.93 -0.76 -0.08 5.30 5.36 0.30 -4.58 117.98 119.59 1k0s s PHE 11 Ca 0.13 1.83 -0.21 0.00 -0.96 0.00 0.00 56.93 57.72 1k0s s PHE 11 Cb 0.03 0.28 -0.04 0.00 -0.34 0.00 0.00 43.02 42.95 1k0s s PHE 11 CO -0.03 -0.37 0.61 -2.00 -1.46 0.00 0.00 175.22 171.98 1k0s s GLU 12 N 0.46 4.40 0.22 10.12 2.12 -1.26 -1.02 118.70 133.75 1k0s s GLU 12 Ca -0.01 0.72 -0.10 0.00 0.36 0.00 0.00 54.97 55.94 1k0s s GLU 12 Cb -0.05 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 1k0s s GLU 12 CO -0.01 0.12 0.38 0.54 -0.54 0.00 0.00 175.26 175.75 1k0s s VAL 13 N 0.66 0.01 0.07 3.70 0.11 -0.55 -4.33 120.40 120.07 1k0s s VAL 13 Ca 0.33 -1.51 -0.20 0.00 -2.93 0.00 0.00 61.98 57.67 1k0s s VAL 13 Cb -0.17 -2.19 -0.07 0.00 -1.53 0.00 0.00 36.38 32.42 1k0s s VAL 13 CO 0.15 -0.05 0.59 -0.22 -3.33 0.00 0.00 175.10 172.24 1k0s s LEU 14 N -3.04 4.52 0.03 2.54 1.98 -0.86 0.15 118.68 124.00 1k0s s LEU 14 Ca 0.25 1.28 -0.13 0.00 -2.89 0.00 0.00 54.13 52.63 1k0s s LEU 14 Cb 0.01 -2.93 0.02 0.00 0.66 0.00 0.00 46.19 43.95 1k0s s LEU 14 CO 0.08 0.24 0.28 -0.94 -1.89 0.00 0.00 176.35 174.12 1k0s s SER 15 N -0.96 -0.10 0.20 3.68 1.04 0.67 -1.34 113.70 116.88 1k0s s SER 15 Ca 0.30 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.43 1k0s s SER 15 Cb -0.20 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.25 1k0s s SER 15 CO 0.19 -0.58 0.36 0.72 0.98 0.00 0.00 173.24 174.92 1k0s s PHE 16 N -2.38 0.39 -0.19 5.02 -0.71 0.90 0.87 117.98 121.89 1k0s s PHE 16 Ca -0.06 -0.74 -0.21 0.00 -1.04 0.00 0.00 56.93 54.87 1k0s s PHE 16 Cb -0.02 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.80 1k0s s PHE 16 CO -0.02 -0.83 0.65 -2.00 -1.34 0.00 0.00 175.22 171.68 1k0s s GLU 17 N -3.99 4.23 -0.13 1.99 2.56 0.35 0.17 118.70 123.88 1k0s s GLU 17 Ca 0.20 0.66 -0.02 0.00 0.00 0.00 0.00 54.97 55.81 1k0s s GLU 17 Cb 0.02 -3.57 0.04 0.00 2.00 0.00 0.00 34.13 32.62 1k0s s GLU 17 CO 0.04 -0.23 0.01 0.42 -0.56 0.00 0.00 175.26 174.93 1k0s s ILE 18 N 1.87 0.52 -1.16 -3.70 -1.09 0.19 -3.84 121.20 113.99 1k0s s ILE 18 Ca 0.30 -0.21 -0.34 0.00 -2.23 0.00 0.00 60.65 58.17 1k0s s ILE 18 Cb -0.16 -0.80 0.05 0.00 -1.58 0.00 0.00 42.46 39.96 1k0s s ILE 18 CO 0.11 0.08 0.65 -0.90 -1.23 0.00 0.00 174.94 173.64 1k0s n ASP 19 N 5.08 -3.91 0.00 3.58 5.68 -1.26 -0.52 116.55 125.20 1k0s n ASP 19 Ca -0.08 -1.26 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1k0s n ASP 19 Cb 0.49 -1.51 0.00 0.00 -1.14 0.00 0.00 41.12 38.96 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1k0s n GLU 20 N -4.90 0.00 -3.16 0.11 1.02 -1.26 -4.83 120.64 107.62 1k0s n GLU 20 Ca -0.11 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.77 1k0s n GLU 20 Cb 0.54 -0.03 -0.01 0.00 -0.02 0.00 0.00 31.44 31.91 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1k0s s GLN 21 N 0.00 3.54 0.24 3.49 1.03 0.32 -4.92 119.66 123.35 1k0s s GLN 21 Ca 0.00 -0.10 -0.13 0.00 0.04 0.00 0.00 55.36 55.17 1k0s s GLN 21 Cb 0.00 -2.58 -0.08 0.00 0.03 0.00 0.00 33.01 30.39 1k0s s GLN 21 CO 0.00 0.06 0.62 0.00 -2.54 0.00 0.00 175.29 173.43 1k0s s ALA 22 N -2.38 3.48 -0.06 2.60 0.00 0.12 0.53 121.76 126.04 1k0s s ALA 22 Ca 0.43 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1k0s s ALA 22 Cb -0.10 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 1k0s s ALA 22 CO 0.37 0.43 -0.19 -1.17 0.00 0.00 0.00 175.76 175.20 1k0s s LEU 23 N -2.60 1.92 0.07 0.00 2.96 0.13 -0.25 118.68 120.90 1k0s s LEU 23 Ca 0.47 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1k0s s LEU 23 Cb -0.12 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1k0s s LEU 23 CO 0.20 0.15 -0.10 0.00 -1.32 0.00 0.00 176.35 175.27 1k0s s ALA 24 N 0.19 0.87 -0.01 5.97 0.00 0.16 -0.07 121.76 128.88 1k0s s ALA 24 Ca -0.09 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1k0s s ALA 24 Cb -0.14 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1k0s s ALA 24 CO 0.04 -0.00 -0.05 -0.06 0.00 0.00 0.00 175.76 175.69 1k0s s PHE 25 N -1.81 0.47 -0.16 0.00 0.40 -0.45 -1.48 117.98 114.96 1k0s s PHE 25 Ca -0.03 -0.09 -0.38 0.00 -0.60 0.00 0.00 56.93 55.83 1k0s s PHE 25 Cb -0.07 -0.32 -0.15 0.00 0.51 0.00 0.00 43.02 42.99 1k0s s PHE 25 CO 0.00 -0.02 1.68 -0.40 0.70 0.00 0.00 175.22 177.18 1k0s n ASP 26 N 3.05 2.45 0.12 1.36 5.75 -0.92 -2.03 116.55 126.34 1k0s n ASP 26 Ca -0.14 1.07 0.08 0.00 -0.01 0.00 0.00 54.79 55.79 1k0s n ASP 26 Cb 0.57 -1.20 0.43 0.00 -1.03 0.00 0.00 41.12 39.90 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1k0s n VAL 27 N 4.23 1.25 -0.30 2.12 0.24 -1.26 -1.69 118.33 122.92 1k0s n VAL 27 Ca 0.24 0.63 -0.04 0.00 -2.04 0.00 0.00 64.34 63.13 1k0s n VAL 27 Cb 0.18 -1.62 0.08 0.00 -1.47 0.00 0.00 33.84 31.01 1k0s n VAL 27 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1k0s h ASP 28 N 0.00 0.95 0.02 -1.34 3.32 -1.90 -3.25 116.42 114.22 1k0s h ASP 28 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.73 1k0s h ASP 28 Cb 0.04 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1k0s h ASP 28 CO 0.00 0.69 -1.64 -3.20 -1.72 0.00 0.00 179.24 173.37 1k0s n ASN 29 N -4.51 1.91 -4.71 6.45 5.15 -0.68 -4.90 115.26 113.97 1k0s n ASN 29 Ca 0.09 0.36 -0.42 0.00 -0.60 0.00 0.00 54.58 54.01 1k0s n ASN 29 Cb 0.01 -0.91 -0.03 0.00 -0.53 0.00 0.00 39.78 38.32 1k0s n ASN 29 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1k0s s ILE 30 N -2.42 2.20 -0.24 -1.44 -1.09 -0.82 -3.19 121.20 114.19 1k0s s ILE 30 Ca -0.30 0.09 -0.15 0.00 -2.23 0.00 0.00 60.65 58.06 1k0s s ILE 30 Cb 0.08 -3.06 -0.10 0.00 -1.58 0.00 0.00 42.46 37.80 1k0s s ILE 30 CO 0.59 0.01 -0.35 -1.84 -1.23 0.00 0.00 174.94 172.12 1k0s n GLU 31 N 4.26 0.56 -3.55 2.79 0.28 -0.83 -4.68 120.64 119.47 1k0s n GLU 31 Ca 0.16 0.24 -0.08 0.00 -0.16 0.00 0.00 57.16 57.31 1k0s n GLU 31 Cb 0.36 -1.45 -0.03 0.00 1.43 0.00 0.00 31.44 31.75 1k0s n GLU 31 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1k0s s MET 32 N -2.62 0.64 -0.20 3.44 -1.94 -1.10 -5.05 119.30 112.48 1k0s s MET 32 Ca -0.35 -0.10 -0.10 0.00 -1.71 0.00 0.00 55.69 53.43 1k0s s MET 32 Cb 0.11 0.30 -0.05 0.00 2.01 0.00 0.00 34.83 37.20 1k0s s MET 32 CO 0.46 -0.25 0.13 0.14 -0.01 0.00 0.00 175.02 175.49 1k0s s VAL 33 N -2.23 5.39 -0.11 -6.03 -7.23 -1.26 0.01 120.40 108.94 1k0s s VAL 33 Ca 0.03 0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 60.35 1k0s s VAL 33 Cb -0.01 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 1k0s s VAL 33 CO -0.04 0.43 0.02 0.27 -0.31 0.00 0.00 175.10 175.47 1k0s s ILE 34 N 0.41 4.49 -0.27 -0.62 -4.36 0.24 -4.91 121.20 116.19 1k0s s ILE 34 Ca 0.08 -0.17 -0.20 0.00 -0.26 0.00 0.00 60.65 60.10 1k0s s ILE 34 Cb -0.11 -2.93 -0.02 0.00 1.25 0.00 0.00 42.46 40.65 1k0s s ILE 34 CO -0.01 0.58 0.60 -1.61 0.24 0.00 0.00 174.94 174.73 1k0s s GLU 35 N -0.62 4.06 0.35 0.37 2.02 -1.26 -1.02 118.70 122.59 1k0s s GLU 35 Ca 0.10 0.44 -0.13 0.00 0.02 0.00 0.00 54.97 55.41 1k0s s GLU 35 Cb -0.12 -3.67 0.05 0.00 0.10 0.00 0.00 34.13 30.50 1k0s s GLU 35 CO 0.02 -0.43 0.68 1.63 0.02 0.00 0.00 175.26 177.19 1k0s n LYS 36 N 5.70 0.98 -3.58 1.61 5.02 -1.26 -4.96 118.16 121.67 1k0s n LYS 36 Ca -0.02 -1.96 -0.11 0.00 -2.02 0.00 0.00 58.31 54.20 1k0s n LYS 36 Cb 0.49 2.43 -0.05 0.00 -0.02 0.00 0.00 35.03 37.88 1k0s n LYS 36 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k0s s SER 37 N -2.81 -0.40 -1.52 4.39 0.15 -1.26 -4.37 113.70 107.87 1k0s s SER 37 Ca 0.14 0.47 -0.09 0.00 0.70 0.00 0.00 55.95 57.17 1k0s s SER 37 Cb -0.04 0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.72 1k0s s SER 37 CO 0.11 -0.34 0.70 -0.67 1.20 0.00 0.00 173.24 174.24 1k0s n ASP 38 N 0.90 -2.44 -4.72 5.45 2.03 -1.26 -4.90 116.55 111.61 1k0s n ASP 38 Ca -0.11 -0.94 -0.33 0.00 0.52 0.00 0.00 54.79 53.93 1k0s n ASP 38 Cb 0.58 -3.26 0.10 0.00 -0.72 0.00 0.00 41.12 37.82 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k0s s ILE 39 N -3.56 2.44 -0.00 5.18 1.01 -1.26 -4.56 121.20 120.45 1k0s s ILE 39 Ca 0.40 0.19 -0.00 0.00 0.00 0.00 0.00 60.65 61.24 1k0s s ILE 39 Cb -0.21 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 1k0s s ILE 39 CO 0.88 -0.14 0.03 0.41 0.00 0.00 0.00 174.94 176.12 1k0s n THR 40 N -3.05 0.00 -0.11 2.92 -1.04 -1.23 -4.58 114.28 107.20 1k0s n THR 40 Ca 0.12 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.05 61.91 1k0s n THR 40 Cb 0.51 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.91 1k0s n THR 40 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1k0s n PRO 41 N 0.11 0.56 -0.12 -2.82 -0.04 -1.26 -3.09 135.00 128.34 1k0s n PRO 41 Ca 0.00 0.53 -0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1k0s n PRO 41 Cb 0.01 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 1k0s n PRO 41 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k0s h VAL 42 N -1.00 1.23 -0.29 0.52 2.07 -1.87 -3.23 116.25 113.69 1k0s h VAL 42 Ca -0.37 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1k0s h VAL 42 Cb 1.29 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1k0s h VAL 42 CO -0.22 0.26 -0.04 -0.65 0.02 0.00 0.00 177.57 176.94 1k0s h PRO 43 N 0.40 0.03 0.00 1.57 0.11 -1.96 -3.45 132.00 128.70 1k0s h PRO 43 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1k0s h PRO 43 Cb 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1k0s h PRO 43 CO 0.00 0.02 0.00 0.36 -0.21 0.00 0.00 178.00 178.17 1k0s n LYS 44 N -5.21 0.00 -2.86 1.05 2.85 -1.22 -4.91 118.16 107.86 1k0s n LYS 44 Ca -0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1k0s n LYS 44 Cb 0.16 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.55 1k0s n LYS 44 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1k0s n SER 45 N 1.87 -6.72 0.18 -5.58 3.41 -1.26 -4.94 113.62 100.59 1k0s n SER 45 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1k0s n SER 45 Cb 0.00 -4.63 0.00 0.00 -0.26 0.00 0.00 64.21 59.32 1k0s n SER 45 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1k0s n ARG 46 N -1.95 0.00 -1.54 4.33 3.00 -1.26 -5.18 116.66 114.07 1k0s n ARG 46 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1k0s n ARG 46 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1k0s n HIS 47 N -3.25 0.00 -0.57 -0.14 8.25 -1.26 -5.00 115.22 113.25 1k0s n HIS 47 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1k0s n HIS 47 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1k0s n HIS 47 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1k0s n PHE 48 N 4.60 0.93 -4.38 4.41 7.35 -1.26 -4.78 117.46 124.33 1k0s n PHE 48 Ca 0.00 -1.39 -0.21 0.00 -0.76 0.00 0.00 57.45 55.09 1k0s n PHE 48 Cb 0.00 -1.29 -0.16 0.00 0.35 0.00 0.00 39.48 38.39 1k0s n PHE 48 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1k0s s VAL 49 N 4.44 0.80 0.08 -2.13 1.01 -1.26 -4.93 120.40 118.41 1k0s s VAL 49 Ca 0.33 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1k0s s VAL 49 Cb 0.08 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.63 1k0s s VAL 49 CO 0.03 0.26 1.60 -0.33 0.00 0.00 0.00 175.10 176.67 1k0s h GLU 50 N 6.65 0.26 0.00 2.72 4.39 -1.72 -3.48 114.58 123.40 1k0s h GLU 50 Ca -0.34 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.23 1k0s h GLU 50 Cb 1.17 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1k0s h GLU 50 CO 0.48 0.36 0.06 0.41 -1.16 0.00 0.00 179.01 179.17 1k0s n GLY 51 N -0.64 1.82 3.47 -3.84 0.00 -0.86 -4.18 105.19 100.96 1k0s n GLY 51 Ca -0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 1k0s n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k0s s VAL 52 N -2.54 0.00 -0.18 1.61 -7.23 -1.18 0.03 120.40 110.91 1k0s s VAL 52 Ca 0.13 -1.59 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 1k0s s VAL 52 Cb -0.02 -2.29 0.05 0.00 0.56 0.00 0.00 36.38 34.67 1k0s s VAL 52 CO 0.10 -0.00 0.48 0.27 -0.31 0.00 0.00 175.10 175.63 1k0s s ILE 53 N -4.06 -0.00 -0.02 -0.62 -4.36 -0.77 -3.56 121.20 107.80 1k0s s ILE 53 Ca 0.28 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.46 1k0s s ILE 53 Cb 0.02 -0.67 -0.05 0.00 1.25 0.00 0.00 42.46 43.01 1k0s s ILE 53 CO 0.10 0.00 0.60 0.21 0.24 0.00 0.00 174.94 176.09 1k0s s ASN 54 N 0.26 6.95 -0.27 4.36 3.84 -1.26 -0.41 114.94 128.42 1k0s s ASN 54 Ca -0.00 1.13 -0.23 0.00 0.21 0.00 0.00 52.86 53.97 1k0s s ASN 54 Cb -0.03 -2.36 0.07 0.00 -0.55 0.00 0.00 41.25 38.37 1k0s s ASN 54 CO 0.01 0.06 0.70 -0.76 -2.79 0.00 0.00 177.10 174.32 1k0s s LEU 55 N 0.01 -0.75 -1.51 3.21 1.43 0.18 -4.93 118.68 116.32 1k0s s LEU 55 Ca 0.31 1.44 -0.07 0.00 -1.03 0.00 0.00 54.13 54.79 1k0s s LEU 55 Cb -0.18 2.42 0.05 0.00 0.03 0.00 0.00 46.19 48.52 1k0s s LEU 55 CO 0.17 -0.25 0.56 -1.14 0.23 0.00 0.00 176.35 175.93 1k0s n ARG 56 N 3.01 -3.41 -3.72 1.70 3.00 -1.26 -0.60 116.66 115.37 1k0s n ARG 56 Ca -0.15 0.41 -0.25 0.00 -0.00 0.00 0.00 57.85 57.85 1k0s n ARG 56 Cb 0.56 -4.76 0.05 0.00 0.00 0.00 0.00 32.46 28.31 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0s n GLY 57 N -1.80 -0.47 3.63 5.14 0.00 -1.26 -4.98 105.19 105.46 1k0s n GLY 57 Ca -0.17 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1k0s n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k0s s ARG 58 N -6.29 0.51 -0.04 1.61 3.52 0.23 -5.15 118.95 113.34 1k0s s ARG 58 Ca 0.47 0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 56.77 1k0s s ARG 58 Cb -0.22 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.27 1k0s s ARG 58 CO 0.78 -0.11 0.59 0.42 -0.81 0.00 0.00 175.30 176.17 1k0s s ILE 59 N 1.57 5.00 -0.10 4.11 1.09 -1.26 -0.65 121.20 130.96 1k0s s ILE 59 Ca -0.09 1.23 -0.00 0.00 -1.10 0.00 0.00 60.65 60.69 1k0s s ILE 59 Cb -0.05 -3.93 -0.02 0.00 -1.06 0.00 0.00 42.46 37.40 1k0s s ILE 59 CO -0.17 0.36 -0.09 0.27 -0.10 0.00 0.00 174.94 175.21 1k0s s ILE 60 N 0.21 3.51 -0.32 2.92 -4.36 0.45 -4.89 121.20 118.73 1k0s s ILE 60 Ca 0.31 -0.53 -0.29 0.00 -0.26 0.00 0.00 60.65 59.89 1k0s s ILE 60 Cb -0.17 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.09 1k0s s ILE 60 CO 0.16 0.55 1.07 -2.16 0.24 0.00 0.00 174.94 174.80 1k0s s PRO 61 N -0.23 4.07 -0.11 0.37 0.04 -1.24 -1.85 135.00 136.05 1k0s s PRO 61 Ca 0.02 1.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.00 1k0s s PRO 61 Cb -0.13 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.63 1k0s s PRO 61 CO 0.03 -0.89 0.32 0.14 0.04 0.00 0.00 177.00 176.64 1k0s s VAL 62 N 3.62 5.25 0.05 -0.36 -7.23 0.10 -1.32 120.40 120.51 1k0s s VAL 62 Ca 0.45 0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 61.21 1k0s s VAL 62 Cb -0.12 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 1k0s s VAL 62 CO 0.15 0.46 0.05 -0.69 -0.31 0.00 0.00 175.10 174.77 1k0s s VAL 63 N -0.12 0.16 -1.26 1.32 1.01 -0.80 -2.02 120.40 118.69 1k0s s VAL 63 Ca 0.19 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 1k0s s VAL 63 Cb -0.14 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 1k0s s VAL 63 CO 0.07 -0.73 2.46 0.59 0.00 0.00 0.00 175.10 177.49 1k0s n ASN 64 N 0.52 6.17 0.31 3.32 3.02 -1.26 -1.87 115.26 125.48 1k0s n ASN 64 Ca -0.17 -2.52 0.14 0.00 -0.03 0.00 0.00 54.58 52.00 1k0s n ASN 64 Cb 0.59 -1.36 0.73 0.00 -0.61 0.00 0.00 39.78 39.13 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1k0s h LEU 65 N 8.50 0.00 -0.81 3.41 6.46 -1.83 0.53 115.31 131.56 1k0s h LEU 65 Ca 0.66 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 58.29 1k0s h LEU 65 Cb 0.32 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1k0s h LEU 65 CO 1.69 0.00 -0.58 0.00 -0.62 0.00 0.00 178.44 178.94 1k0s h ALA 66 N 1.20 1.01 0.14 1.25 0.00 -1.82 -2.32 119.26 118.73 1k0s h ALA 66 Ca 0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 54.91 54.10 1k0s h ALA 66 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1k0s h ALA 66 CO -0.00 0.72 -1.46 1.57 0.00 0.00 0.00 179.25 180.08 1k0s h LYS 67 N 0.04 0.31 -0.94 0.00 5.09 -0.13 1.23 116.57 122.17 1k0s h LYS 67 Ca -0.00 -0.52 0.08 0.00 0.09 0.00 0.00 60.65 60.30 1k0s h LYS 67 Cb 1.03 0.19 -0.07 0.00 0.10 0.00 0.00 32.23 33.48 1k0s h LYS 67 CO 0.08 1.20 0.59 0.97 -2.09 0.00 0.00 179.45 180.20 1k0s h ILE 68 N 0.08 1.00 0.05 0.07 2.10 -1.41 0.18 117.51 119.58 1k0s h ILE 68 Ca -0.22 -0.35 -0.27 0.00 1.08 0.00 0.00 64.86 65.10 1k0s h ILE 68 Cb 2.03 -0.10 0.02 0.00 -1.09 0.00 0.00 36.82 37.68 1k0s h ILE 68 CO 0.19 0.18 -1.10 0.25 -1.08 0.00 0.00 178.15 176.59 1k0s h LEU 69 N 1.01 0.78 0.00 2.19 7.12 -1.42 -3.49 115.31 121.49 1k0s h LEU 69 Ca 0.43 -0.67 0.00 0.00 0.13 0.00 0.00 57.88 57.77 1k0s h LEU 69 Cb 0.29 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1k0s h LEU 69 CO -0.21 1.47 0.00 0.61 -0.13 0.00 0.00 178.44 180.18 1k0s n GLY 70 N 1.18 0.97 0.91 3.75 0.00 0.42 -5.08 105.19 107.34 1k0s n GLY 70 Ca -0.11 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.26 1k0s n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k0s n ILE 71 N 0.00 -0.22 -0.27 -0.61 -5.35 -1.25 -3.90 119.36 107.75 1k0s n ILE 71 Ca 0.00 0.32 0.32 0.00 -0.27 0.00 0.00 62.75 63.12 1k0s n ILE 71 Cb 0.00 -0.53 0.72 0.00 -1.74 0.00 0.00 39.64 38.10 1k0s n ILE 71 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1k0s h SER 72 N -1.19 0.03 -0.60 7.28 0.02 -1.92 -3.43 113.55 113.76 1k0s h SER 72 Ca -0.06 0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.56 1k0s h SER 72 Cb 0.86 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.46 1k0s h SER 72 CO 0.03 0.01 -0.32 0.33 -1.14 0.00 0.00 176.83 175.73 1k0s n PHE 73 N -4.24 -0.47 -2.57 3.45 7.35 -1.25 -4.91 117.46 114.81 1k0s n PHE 73 Ca 0.23 0.44 -0.01 0.00 -0.76 0.00 0.00 57.45 57.35 1k0s n PHE 73 Cb 1.12 -0.96 0.03 0.00 0.35 0.00 0.00 39.48 40.02 1k0s n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1k0s n ASP 74 N 1.06 -0.61 -3.49 -2.13 2.03 -1.26 -4.93 116.55 107.22 1k0s n ASP 74 Ca 0.08 -1.44 -0.25 0.00 0.52 0.00 0.00 54.79 53.70 1k0s n ASP 74 Cb 0.15 0.38 0.06 0.00 -0.72 0.00 0.00 41.12 40.98 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0s n GLU 75 N -0.46 -6.66 -0.06 -0.67 1.02 -1.26 -4.91 120.64 107.65 1k0s n GLU 75 Ca -0.09 0.80 -0.15 0.00 -0.02 0.00 0.00 57.16 57.70 1k0s n GLU 75 Cb 0.62 -5.77 -0.06 0.00 -0.02 0.00 0.00 31.44 26.21 1k0s n GLU 75 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1k0s h GLN 76 N -2.21 0.63 0.00 3.49 3.07 -1.95 -3.39 115.11 114.75 1k0s h GLN 76 Ca -0.56 -0.42 -0.06 0.00 0.09 0.00 0.00 58.65 57.70 1k0s h GLN 76 Cb 1.37 0.06 -0.12 0.00 0.08 0.00 0.00 27.48 28.86 1k0s h GLN 76 CO 0.58 1.04 -0.53 1.63 0.09 0.00 0.00 178.83 181.64 1k0s n LYS 77 N -4.22 0.00 -1.57 0.06 4.76 -1.26 -5.11 118.16 110.81 1k0s n LYS 77 Ca -0.06 -1.09 -0.50 0.00 -2.87 0.00 0.00 58.31 53.79 1k0s n LYS 77 Cb 0.55 -0.15 -0.05 0.00 -1.84 0.00 0.00 35.03 33.54 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1k0s n MET 78 N 0.14 1.06 -1.43 1.97 2.81 -1.26 -4.46 117.12 115.94 1k0s n MET 78 Ca -0.02 0.38 -0.01 0.00 -1.81 0.00 0.00 57.70 56.24 1k0s n MET 78 Cb 0.79 -1.90 0.02 0.00 -0.71 0.00 0.00 33.22 31.41 1k0s n MET 78 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1k0s n LYS 79 N 1.94 0.30 -3.56 0.03 2.85 0.12 -4.87 118.16 114.97 1k0s n LYS 79 Ca 0.16 -0.40 -0.09 0.00 -1.05 0.00 0.00 58.31 56.93 1k0s n LYS 79 Cb 0.22 0.29 -0.04 0.00 -0.65 0.00 0.00 35.03 34.85 1k0s n LYS 79 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1k0s s SER 80 N -0.39 -0.34 0.03 -5.58 1.04 0.18 -4.80 113.70 103.84 1k0s s SER 80 Ca 0.02 0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.71 1k0s s SER 80 Cb 0.10 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.51 1k0s s SER 80 CO -0.03 -0.41 -0.10 -0.63 0.98 0.00 0.00 173.24 173.05 1k0s s ILE 81 N -1.86 0.77 0.01 -1.02 1.01 -0.19 0.45 121.20 120.37 1k0s s ILE 81 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1k0s s ILE 81 Cb -0.01 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1k0s s ILE 81 CO -0.02 -0.06 -0.05 -0.63 0.00 0.00 0.00 174.94 174.18 1k0s s ILE 82 N -0.78 3.77 -0.02 2.92 1.01 0.23 0.80 121.20 129.12 1k0s s ILE 82 Ca -0.01 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1k0s s ILE 82 Cb -0.07 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1k0s s ILE 82 CO 0.01 0.38 -0.25 -0.69 0.00 0.00 0.00 174.94 174.38 1k0s s VAL 83 N -1.03 1.95 0.21 2.92 1.01 0.10 -0.50 120.40 125.06 1k0s s VAL 83 Ca 0.18 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1k0s s VAL 83 Cb -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1k0s s VAL 83 CO 0.08 0.55 0.20 0.00 0.00 0.00 0.00 175.10 175.93 1k0s n ALA 84 N 2.46 0.30 -2.78 5.51 0.00 0.22 -1.97 120.51 124.24 1k0s n ALA 84 Ca -0.16 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 51.97 1k0s n ALA 84 Cb 0.51 0.93 -0.14 0.00 0.00 0.00 0.00 19.45 20.76 1k0s n ALA 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1k0s s ARG 85 N -2.76 0.50 -0.29 0.00 1.70 -1.19 -0.29 118.95 116.61 1k0s s ARG 85 Ca 0.23 -0.38 -0.01 0.00 -0.47 0.00 0.00 55.73 55.10 1k0s s ARG 85 Cb 0.01 -0.42 0.18 0.00 -0.57 0.00 0.00 34.95 34.15 1k0s s ARG 85 CO 0.16 0.10 0.57 0.95 -1.08 0.00 0.00 175.30 176.01 1k0s s THR 86 N -0.52 -0.95 -1.51 4.99 -4.23 0.29 -4.84 115.64 108.87 1k0s s THR 86 Ca -0.01 -0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1k0s s THR 86 Cb -0.05 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.86 1k0s s THR 86 CO 0.00 -0.02 0.46 1.17 -0.54 0.00 0.00 174.62 175.70 1k0s n LYS 87 N 5.42 -2.94 -2.39 3.99 4.81 -1.26 -0.09 118.16 125.70 1k0s n LYS 87 Ca -0.01 0.35 -0.06 0.00 -0.87 0.00 0.00 58.31 57.72 1k0s n LYS 87 Cb 0.51 -4.56 0.01 0.00 0.02 0.00 0.00 35.03 31.01 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1k0s n ASP 88 N -2.88 -2.71 -3.84 3.14 8.00 -1.26 -5.03 116.55 111.97 1k0s n ASP 88 Ca -0.21 -0.06 -0.29 0.00 0.71 0.00 0.00 54.79 54.94 1k0s n ASP 88 Cb 0.63 -1.74 -0.16 0.00 -0.02 0.00 0.00 41.12 39.84 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k0s s VAL 89 N -2.61 0.99 -0.66 2.53 1.01 0.87 -5.07 120.40 117.46 1k0s s VAL 89 Ca 0.07 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 1k0s s VAL 89 Cb -0.03 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 35.06 1k0s s VAL 89 CO 0.08 -0.12 0.96 -0.70 0.00 0.00 0.00 175.10 175.32 1k0s s GLU 90 N 1.65 3.12 0.26 2.72 2.12 -1.25 0.11 118.70 127.42 1k0s s GLU 90 Ca -0.03 -0.87 -0.12 0.00 0.36 0.00 0.00 54.97 54.31 1k0s s GLU 90 Cb -0.18 -4.25 -0.08 0.00 0.26 0.00 0.00 34.13 29.89 1k0s s GLU 90 CO -0.07 -1.81 0.63 0.08 -0.54 0.00 0.00 175.26 173.55 1k0s s VAL 91 N 3.99 4.82 0.12 3.70 1.01 0.60 -3.73 120.40 130.90 1k0s s VAL 91 Ca 0.22 0.70 0.10 0.00 0.00 0.00 0.00 61.98 63.00 1k0s s VAL 91 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1k0s s VAL 91 CO 0.09 -0.10 -0.25 -0.83 0.00 0.00 0.00 175.10 174.01 1k0s s GLY 92 N -2.28 1.46 -0.05 4.51 0.00 -0.43 0.69 107.32 111.22 1k0s s GLY 92 Ca 0.50 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1k0s s GLY 92 CO 0.19 -1.37 0.09 -0.12 0.00 0.00 0.00 173.10 171.90 1k0s s PHE 93 N -1.07 -0.07 -0.06 1.90 5.36 0.35 -1.90 117.98 122.48 1k0s s PHE 93 Ca 0.12 0.33 -0.21 0.00 -0.96 0.00 0.00 56.93 56.21 1k0s s PHE 93 Cb -0.10 -0.19 -0.04 0.00 -0.34 0.00 0.00 43.02 42.35 1k0s s PHE 93 CO 0.05 -0.15 0.61 -1.17 -1.46 0.00 0.00 175.22 173.11 1k0s s LEU 94 N 1.30 4.33 0.00 6.12 2.96 -0.78 0.73 118.68 133.34 1k0s s LEU 94 Ca -0.07 1.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1k0s s LEU 94 Cb -0.12 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1k0s s LEU 94 CO -0.05 -0.02 0.18 1.33 -1.32 0.00 0.00 176.35 176.48 1k0s n VAL 95 N 3.46 0.00 0.00 1.68 0.24 0.17 -4.50 118.33 119.38 1k0s n VAL 95 Ca -0.04 -1.14 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1k0s n VAL 95 Cb 0.51 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1k0s n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1k0s n ASP 96 N -2.16 0.00 -3.59 -1.34 2.03 -1.25 0.16 116.55 110.40 1k0s n ASP 96 Ca 0.03 0.22 -0.21 0.00 0.52 0.00 0.00 54.79 55.34 1k0s n ASP 96 Cb 0.31 -0.48 -0.16 0.00 -0.72 0.00 0.00 41.12 40.08 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1k0s s ARG 97 N -0.95 0.08 -0.36 -0.67 3.52 -1.26 -3.15 118.95 116.16 1k0s s ARG 97 Ca 0.00 0.17 -0.20 0.00 -0.13 0.00 0.00 55.73 55.57 1k0s s ARG 97 Cb 0.00 -1.22 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 1k0s s ARG 97 CO 0.00 -0.56 0.62 0.54 -0.81 0.00 0.00 175.30 175.08 1k0s s VAL 98 N 2.23 4.91 0.46 7.11 0.11 -1.26 -0.50 120.40 133.45 1k0s s VAL 98 Ca 0.04 0.52 0.17 0.00 -2.93 0.00 0.00 61.98 59.78 1k0s s VAL 98 Cb -0.15 -4.07 0.22 0.00 -1.53 0.00 0.00 36.38 30.85 1k0s s VAL 98 CO -0.09 -0.32 2.04 -0.07 -3.33 0.00 0.00 175.10 173.34 1k0s h LEU 99 N 9.35 0.00 0.00 2.54 -0.00 0.14 -3.47 115.31 123.88 1k0s h LEU 99 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1k0s h LEU 99 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1k0s h LEU 99 CO 0.83 0.14 0.00 0.61 -0.00 0.00 0.00 178.44 180.02 1k0s n GLY 100 N -1.07 1.25 3.65 0.83 0.00 -0.17 -4.90 105.19 104.78 1k0s n GLY 100 Ca -0.02 -0.88 -0.46 0.00 0.00 0.00 0.00 46.02 44.66 1k0s n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k0s n VAL 101 N 0.00 0.67 -4.21 1.61 0.24 -1.25 -0.24 118.33 115.15 1k0s n VAL 101 Ca 0.00 -0.17 -0.17 0.00 -2.04 0.00 0.00 64.34 61.96 1k0s n VAL 101 Cb 0.00 -1.37 -0.15 0.00 -1.47 0.00 0.00 33.84 30.85 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1k0s s LEU 102 N 0.37 1.94 -1.27 1.34 2.96 0.39 -4.76 118.68 119.65 1k0s s LEU 102 Ca 0.72 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 1k0s s LEU 102 Cb -0.70 -0.33 0.16 0.00 0.50 0.00 0.00 46.19 45.82 1k0s s LEU 102 CO 0.47 0.06 1.74 -2.11 -1.32 0.00 0.00 176.35 175.19 1k0s n ARG 103 N 3.04 3.49 -3.19 1.98 0.00 -1.26 -1.49 116.66 119.24 1k0s n ARG 103 Ca -0.14 -3.59 -0.39 0.00 -0.00 0.00 0.00 57.85 53.73 1k0s n ARG 103 Cb 0.57 -3.00 -0.05 0.00 -0.00 0.00 0.00 32.46 29.98 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1k0s s ILE 104 N 1.01 4.98 0.21 8.89 -1.09 -0.18 -4.85 121.20 130.17 1k0s s ILE 104 Ca 0.41 1.25 -0.15 0.00 -2.23 0.00 0.00 60.65 59.93 1k0s s ILE 104 Cb 0.05 -3.94 -0.08 0.00 -1.58 0.00 0.00 42.46 36.92 1k0s s ILE 104 CO 0.00 0.37 0.62 0.42 -1.23 0.00 0.00 174.94 175.12 1k0s s THR 105 N 0.16 4.77 -0.55 2.92 -4.23 -1.26 0.11 115.64 117.56 1k0s s THR 105 Ca 0.32 0.89 0.06 0.00 -1.18 0.00 0.00 61.69 61.78 1k0s s THR 105 Cb -0.18 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.15 1k0s s THR 105 CO 0.16 0.11 0.53 1.21 -0.54 0.00 0.00 174.62 176.09 1k0s n GLU 106 N 0.43 1.37 -0.09 3.99 2.13 -1.24 -4.76 120.64 122.47 1k0s n GLU 106 Ca -0.02 -3.94 0.12 0.00 0.66 0.00 0.00 57.16 53.98 1k0s n GLU 106 Cb 0.52 -1.89 0.24 0.00 0.27 0.00 0.00 31.44 30.57 1k0s n GLU 106 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1k0s n ASN 107 N 1.75 2.81 0.03 4.31 5.03 -1.26 -4.16 115.26 123.77 1k0s n ASN 107 Ca 0.25 -1.90 -0.02 0.00 0.87 0.00 0.00 54.58 53.78 1k0s n ASN 107 Cb 0.44 -0.12 -0.01 0.00 -1.02 0.00 0.00 39.78 39.07 1k0s n ASN 107 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1k0s h GLN 108 N 3.96 -0.16 -6.57 3.52 1.08 -1.95 -3.46 115.11 111.53 1k0s h GLN 108 Ca 0.00 0.01 -0.58 0.00 -1.45 0.00 0.00 58.65 56.63 1k0s h GLN 108 Cb 0.86 0.04 0.15 0.00 -0.05 0.00 0.00 27.48 28.48 1k0s h GLN 108 CO 0.00 -0.10 -0.15 1.28 -0.95 0.00 0.00 178.83 178.91 1k0s n LEU 109 N -4.41 1.68 -2.90 1.46 4.77 -1.26 -4.31 117.00 112.03 1k0s n LEU 109 Ca -0.02 0.86 -0.13 0.00 -0.03 0.00 0.00 56.01 56.69 1k0s n LEU 109 Cb 0.06 -1.25 0.02 0.00 -2.33 0.00 0.00 43.42 39.92 1k0s n LEU 109 CO 0.05 -2.37 0.05 -0.67 -1.33 0.00 0.00 177.39 173.12 1k0s n ASP 110 N 0.40 -1.71 0.00 -1.43 -0.08 -1.26 -4.83 116.55 107.64 1k0s n ASP 110 Ca 0.11 -3.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 1k0s n ASP 110 Cb 0.44 0.99 0.00 0.00 2.34 0.00 0.00 41.12 44.89 1k0s n ASP 110 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k0s n LEU 111 N 1.31 0.00 -2.20 -2.67 -0.00 -1.26 -4.56 117.00 107.62 1k0s n LEU 111 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.12 1k0s n LEU 111 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.01 1k0s n LEU 111 CO 0.09 0.00 0.49 1.07 -0.00 0.00 0.00 177.39 179.04 1k0s n THR 112 N 0.00 0.00 -1.83 1.47 5.66 -1.26 -5.12 114.28 113.20 1k0s n THR 112 Ca 0.00 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1k0s n THR 112 Cb 0.00 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1k0s n THR 112 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1k0s n ASN 113 N -0.32 -8.49 -3.03 1.09 4.05 -1.26 -4.99 115.26 102.31 1k0s n ASN 113 Ca -0.19 1.24 -0.15 0.00 0.45 0.00 0.00 54.58 55.92 1k0s n ASN 113 Cb 0.57 -4.60 -0.01 0.00 1.23 0.00 0.00 39.78 36.97 1k0s n ASN 113 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1k0s n VAL 114 N 1.20 0.16 0.00 3.44 0.24 -1.26 -4.76 118.33 117.35 1k0s n VAL 114 Ca 0.00 -4.12 0.00 0.00 -2.04 0.00 0.00 64.34 58.18 1k0s n VAL 114 Cb 0.00 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1k0s n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1k0s n SER 115 N 0.18 0.00 -0.01 -1.34 2.88 -1.26 -5.00 113.62 109.07 1k0s n SER 115 Ca 0.20 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.62 1k0s n SER 115 Cb 0.71 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.07 1k0s n SER 115 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1k0s h ASP 116 N 0.00 -0.05 0.00 -3.46 5.19 -1.85 -3.42 116.42 112.82 1k0s h ASP 116 Ca 0.00 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 1k0s h ASP 116 Cb 0.00 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1k0s h ASP 116 CO 0.00 0.60 0.00 0.29 -3.12 0.00 0.00 179.24 177.01 1k0s n LYS 117 N -4.80 0.00 -0.04 3.56 5.02 -1.26 -3.63 118.16 117.01 1k0s n LYS 117 Ca -0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 1k0s n LYS 117 Cb 0.31 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.23 1k0s n LYS 117 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1k0s h PHE 118 N 0.00 -0.03 0.00 2.13 3.04 -1.82 -3.50 116.94 116.77 1k0s h PHE 118 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1k0s h PHE 118 Cb 0.00 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.52 1k0s h PHE 118 CO 0.00 0.65 0.00 0.41 -2.02 0.00 0.00 178.31 177.35 1k0s n GLY 119 N 1.39 -0.37 2.51 2.40 0.00 -1.26 -4.96 105.19 104.91 1k0s n GLY 119 Ca -0.08 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1k0s n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k0s n LYS 120 N 0.00 3.74 0.00 1.61 5.02 -1.26 -4.13 118.16 123.14 1k0s n LYS 120 Ca 0.00 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1k0s n LYS 120 Cb 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 32.59 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1k0s n LYS 121 N 1.17 0.00 0.00 1.97 0.00 -1.26 -5.14 118.16 114.91 1k0s n LYS 121 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.87 1k0s n LYS 121 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 35.03 35.20 1k0s n LYS 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1k0s n SER 122 N -1.98 0.00 0.00 3.14 2.88 -1.26 -3.49 113.62 112.91 1k0s n SER 122 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k0s n SER 122 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k0s n SER 122 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1k0s n LYS 123 N 0.00 0.02 -2.88 -1.46 4.76 -1.24 -4.74 118.16 112.61 1k0s n LYS 123 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1k0s n LYS 123 Cb 0.00 -0.04 -0.07 0.00 -1.84 0.00 0.00 35.03 33.09 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k0s s GLY 124 N -0.97 2.53 -0.27 0.72 0.00 0.13 -4.22 107.32 105.25 1k0s s GLY 124 Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 44.72 44.85 1k0s s GLY 124 CO 0.00 0.69 0.80 -2.27 0.00 0.00 0.00 173.10 172.32 1k0s s LEU 125 N -2.68 -0.69 0.10 0.66 1.98 -1.24 -1.91 118.68 114.90 1k0s s LEU 125 Ca 0.55 1.29 -0.12 0.00 -2.89 0.00 0.00 54.13 52.96 1k0s s LEU 125 Cb -0.13 2.29 0.01 0.00 0.66 0.00 0.00 46.19 49.02 1k0s s LEU 125 CO 0.18 -0.22 0.28 0.54 -1.89 0.00 0.00 176.35 175.24 1k0s s VAL 126 N 0.51 0.11 -0.27 1.68 0.11 0.16 -4.80 120.40 117.90 1k0s s VAL 126 Ca -0.01 -0.90 -0.21 0.00 -2.93 0.00 0.00 61.98 57.93 1k0s s VAL 126 Cb -0.05 -1.24 0.08 0.00 -1.53 0.00 0.00 36.38 33.64 1k0s s VAL 126 CO -0.04 -0.50 0.72 -0.54 -3.33 0.00 0.00 175.10 171.41 1k0s s LYS 127 N -3.73 0.78 -0.11 1.54 1.02 -1.26 0.43 119.74 118.41 1k0s s LYS 127 Ca 0.03 1.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.80 1k0s s LYS 127 Cb 0.03 0.30 0.10 0.00 -0.52 0.00 0.00 37.83 37.73 1k0s s LYS 127 CO -0.11 -0.12 0.82 0.99 -0.92 0.00 0.00 175.35 176.02 1k0s s THR 128 N 0.89 0.00 -1.35 2.17 2.01 0.27 -4.95 115.64 114.68 1k0s s THR 128 Ca -0.04 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1k0s s THR 128 Cb -0.05 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.48 1k0s s THR 128 CO -0.08 0.00 0.86 -0.67 -0.69 0.00 0.00 174.62 174.04 1k0s n ASP 129 N 0.95 -2.67 -3.10 3.53 2.03 -1.26 -1.07 116.55 114.97 1k0s n ASP 129 Ca -0.15 -0.75 -0.21 0.00 0.52 0.00 0.00 54.79 54.19 1k0s n ASP 129 Cb 0.57 -4.26 0.01 0.00 -0.72 0.00 0.00 41.12 36.72 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0s n GLY 130 N -1.58 -0.50 2.91 0.27 0.00 -1.26 -4.95 105.19 100.07 1k0s n GLY 130 Ca -0.19 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1k0s n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k0s s ARG 131 N -5.75 0.47 0.31 1.61 1.70 -0.23 -5.15 118.95 111.90 1k0s s ARG 131 Ca 0.30 -0.10 -0.10 0.00 -0.47 0.00 0.00 55.73 55.37 1k0s s ARG 131 Cb -0.15 -0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 33.66 1k0s s ARG 131 CO 0.37 0.01 0.65 -0.51 -1.08 0.00 0.00 175.30 174.74 1k0s s LEU 132 N 0.37 4.03 -0.17 -1.89 1.02 -1.26 -0.57 118.68 120.21 1k0s s LEU 132 Ca -0.04 1.00 -0.09 0.00 0.02 0.00 0.00 54.13 55.02 1k0s s LEU 132 Cb -0.07 -3.82 0.06 0.00 0.02 0.00 0.00 46.19 42.38 1k0s s LEU 132 CO -0.00 -0.22 0.40 -0.63 0.02 0.00 0.00 176.35 175.92 1k0s s ILE 133 N -2.07 -0.03 0.15 -0.59 1.01 0.17 -0.71 121.20 119.13 1k0s s ILE 133 Ca 0.49 0.10 -0.14 0.00 0.00 0.00 0.00 60.65 61.10 1k0s s ILE 133 Cb -0.11 -0.60 -0.07 0.00 0.01 0.00 0.00 42.46 41.70 1k0s s ILE 133 CO 0.25 0.04 0.55 -0.63 0.00 0.00 0.00 174.94 175.15 1k0s s ILE 134 N 1.41 4.86 -0.02 2.92 -1.09 0.65 0.40 121.20 130.32 1k0s s ILE 134 Ca -0.09 0.82 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 1k0s s ILE 134 Cb -0.09 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1k0s s ILE 134 CO -0.13 0.24 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.28 1k0s s TYR 135 N -1.47 0.79 0.02 3.97 5.04 -0.80 0.40 117.35 125.30 1k0s s TYR 135 Ca 0.38 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.83 1k0s s TYR 135 Cb -0.15 -0.57 -0.02 0.00 0.35 0.00 0.00 41.96 41.57 1k0s s TYR 135 CO 0.19 -0.08 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.77 1k0s s LEU 136 N 0.18 2.19 -0.32 6.97 1.43 -0.55 0.22 118.68 128.80 1k0s s LEU 136 Ca -0.02 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1k0s s LEU 136 Cb -0.07 -0.05 0.63 0.00 0.03 0.00 0.00 46.19 46.73 1k0s s LEU 136 CO 0.00 -0.18 1.68 -0.90 0.23 0.00 0.00 176.35 177.18 1k0s n ASP 137 N 1.91 3.78 -0.65 2.29 5.75 -1.26 -2.15 116.55 126.21 1k0s n ASP 137 Ca -0.21 -3.44 0.00 0.00 -0.01 0.00 0.00 54.79 51.13 1k0s n ASP 137 Cb 0.56 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k0s n ILE 138 N -0.71 0.00 -0.04 2.12 3.06 -1.26 -4.73 119.36 117.80 1k0s n ILE 138 Ca 0.40 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.65 1k0s n ILE 138 Cb 1.28 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 41.46 1k0s n ILE 138 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1k0s h ASP 139 N 0.00 0.00 0.56 9.51 1.82 -1.95 -2.61 116.42 123.75 1k0s h ASP 139 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 1k0s h ASP 139 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 1k0s h ASP 139 CO 0.00 0.38 -0.70 0.11 -1.61 0.00 0.00 179.24 177.42 1k0s h LYS 140 N -0.76 0.12 -0.15 0.28 1.79 -1.85 -2.60 116.57 113.40 1k0s h LYS 140 Ca 0.00 -0.10 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 1k0s h LYS 140 Cb 0.00 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1k0s h LYS 140 CO 0.00 0.78 -0.10 0.97 -1.08 0.00 0.00 179.45 180.01 1k0s h ILE 141 N 0.08 1.33 -0.31 1.86 -0.00 -1.74 -2.18 117.51 116.55 1k0s h ILE 141 Ca -0.02 -1.19 -0.00 0.00 -0.00 0.00 0.00 64.86 63.65 1k0s h ILE 141 Cb 1.25 1.79 -0.02 0.00 -0.00 0.00 0.00 36.82 39.85 1k0s h ILE 141 CO 0.10 0.35 0.19 -0.29 -0.00 0.00 0.00 178.15 178.50 1k0s h ILE 142 N -0.02 1.11 -0.99 2.19 6.09 -1.48 0.19 117.51 124.61 1k0s h ILE 142 Ca 0.03 -0.26 0.23 0.00 -1.37 0.00 0.00 64.86 63.49 1k0s h ILE 142 Cb 0.60 0.72 -0.12 0.00 0.47 0.00 0.00 36.82 38.49 1k0s h ILE 142 CO 0.03 0.11 0.57 -0.33 -3.07 0.00 0.00 178.15 175.45 1k0s h GLU 143 N 0.40 0.57 -0.27 2.19 5.08 -1.41 0.58 114.58 121.72 1k0s h GLU 143 Ca 0.11 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1k0s h GLU 143 Cb 0.01 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1k0s h GLU 143 CO -0.02 0.37 -0.54 0.93 -1.00 0.00 0.00 179.01 178.75 1k0s h GLU 144 N 0.58 0.81 -0.85 2.33 5.08 -0.60 -1.95 114.58 119.99 1k0s h GLU 144 Ca 0.62 -0.51 0.20 0.00 -1.00 0.00 0.00 59.36 58.68 1k0s h GLU 144 Cb 1.15 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 1k0s h GLU 144 CO -0.47 1.14 0.31 0.82 -1.00 0.00 0.00 179.01 179.81 1k0s h ILE 145 N 0.62 0.47 0.00 3.13 2.04 0.32 0.51 117.51 124.60 1k0s h ILE 145 Ca 0.01 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1k0s h ILE 145 Cb 1.14 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1k0s h ILE 145 CO 0.12 0.06 -0.48 0.71 0.00 0.00 0.00 178.15 178.56 1k0s h THR 146 N 0.35 0.90 0.00 -0.27 1.35 -1.40 -3.37 112.91 110.47 1k0s h THR 146 Ca 0.51 -1.83 -0.01 0.00 -0.55 0.00 0.00 66.41 64.54 1k0s h THR 146 Cb 0.95 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1k0s h THR 146 CO -0.53 0.30 -0.02 1.62 -0.25 0.00 0.00 175.52 176.64 1k0s h VAL 147 N -1.00 0.16 -0.99 6.82 3.04 -1.20 -3.17 116.25 119.91 1k0s h VAL 147 Ca -0.11 -0.23 0.38 0.00 -1.01 0.00 0.00 66.70 65.73 1k0s h VAL 147 Cb 0.83 1.19 -0.18 0.00 -2.01 0.00 0.00 31.29 31.12 1k0s h VAL 147 CO -0.07 0.02 0.40 0.29 -1.01 0.00 0.00 177.57 177.21 1k0s n LYS 148 N -3.27 -0.06 -2.01 4.17 4.76 0.18 -4.35 118.16 117.58 1k0s n LYS 148 Ca -0.02 1.40 -0.42 0.00 -2.87 0.00 0.00 58.31 56.40 1k0s n LYS 148 Cb 0.16 -2.43 -0.03 0.00 -1.84 0.00 0.00 35.03 30.89 1k0s n LYS 148 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1k0s s GLU 149 N -5.63 4.26 0.00 1.97 0.41 -1.20 -4.83 118.70 113.68 1k0s s GLU 149 Ca -0.10 2.30 0.00 0.00 -0.41 0.00 0.00 54.97 56.76 1k0s s GLU 149 Cb 0.33 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.54 1k0s s GLU 149 CO 0.77 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.49 1k0s n GLY 150 N 2.68 0.00 3.84 -1.39 0.00 -1.26 -5.08 105.19 103.99 1k0s n GLY 150 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70