#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 -0.73 0.00 0.03 3.64 -2.04 -3.48 116.57 114.00 1k0s h LYS 2 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1k0s h LYS 2 Cb 0.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1k0s h LYS 2 CO 0.00 -0.47 0.00 -2.37 -2.27 0.00 0.00 179.45 174.34 1k0s n THR 3 N -5.40 0.00 0.10 1.00 5.66 -1.26 -4.96 114.28 109.42 1k0s n THR 3 Ca -0.12 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.69 1k0s n THR 3 Cb 0.32 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.97 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1k0s h LEU 4 N 0.00 0.65 -1.40 1.09 8.10 -2.07 -3.50 115.31 118.18 1k0s h LEU 4 Ca 0.00 -0.64 0.00 0.00 0.11 0.00 0.00 57.88 57.35 1k0s h LEU 4 Cb 0.00 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.01 1k0s h LEU 4 CO 0.00 1.47 -0.95 0.00 -4.11 0.00 0.00 178.44 174.85 1k0s n ALA 5 N -2.61 -2.05 -1.77 0.17 0.00 -1.26 -4.96 120.51 108.03 1k0s n ALA 5 Ca -0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1k0s n ALA 5 Cb 1.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1k0s n ALA 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1k0s n ASP 6 N 1.48 -9.34 0.00 0.00 2.03 -1.26 -4.99 116.55 104.48 1k0s n ASP 6 Ca 0.00 1.35 0.00 0.00 0.52 0.00 0.00 54.79 56.66 1k0s n ASP 6 Cb 0.00 -5.23 0.00 0.00 -0.72 0.00 0.00 41.12 35.17 1k0s n ASP 6 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0s n ALA 7 N -0.42 0.00 -1.16 -1.67 0.00 -1.26 -5.03 120.51 110.97 1k0s n ALA 7 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1k0s n ALA 7 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 6.73 -0.12 0.00 4.77 -1.26 -4.24 117.00 122.88 1k0s n LEU 8 Ca 0.00 -3.73 -0.21 0.00 -0.03 0.00 0.00 56.01 52.05 1k0s n LEU 8 Cb 0.00 -1.09 -0.12 0.00 -2.33 0.00 0.00 43.42 39.88 1k0s n LEU 8 CO 0.00 1.42 -1.28 2.29 -1.33 0.00 0.00 177.39 178.49 1k0s n LYS 9 N 0.23 0.65 -3.60 3.23 -0.00 -1.26 -4.44 118.16 112.97 1k0s n LYS 9 Ca 0.41 0.19 -0.08 0.00 -0.00 0.00 0.00 58.31 58.84 1k0s n LYS 9 Cb 0.57 -1.54 -0.02 0.00 -0.00 0.00 0.00 35.03 34.04 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 -2.52 1.19 -0.15 -1.58 2.12 -1.26 -4.58 118.70 111.92 1k0s s GLU 10 Ca -0.34 -0.54 -0.13 0.00 0.36 0.00 0.00 54.97 54.32 1k0s s GLU 10 Cb 0.10 0.48 0.04 0.00 0.26 0.00 0.00 34.13 35.01 1k0s s GLU 10 CO 0.60 -0.53 0.39 0.12 -0.54 0.00 0.00 175.26 175.30 1k0s s PHE 11 N -3.45 -0.45 -0.05 5.30 5.36 0.40 -4.78 117.98 120.32 1k0s s PHE 11 Ca 0.07 1.07 -0.21 0.00 -0.96 0.00 0.00 56.93 56.90 1k0s s PHE 11 Cb -0.02 0.16 -0.05 0.00 -0.34 0.00 0.00 43.02 42.77 1k0s s PHE 11 CO -0.05 -0.22 0.61 -1.21 -1.46 0.00 0.00 175.22 172.88 1k0s s GLU 12 N 0.37 4.36 0.20 10.12 2.02 -1.25 -0.28 118.70 134.24 1k0s s GLU 12 Ca -0.01 0.73 -0.12 0.00 0.02 0.00 0.00 54.97 55.59 1k0s s GLU 12 Cb -0.04 -3.39 -0.00 0.00 0.10 0.00 0.00 34.13 30.80 1k0s s GLU 12 CO -0.01 0.23 0.40 0.54 0.02 0.00 0.00 175.26 176.43 1k0s s VAL 13 N 0.28 0.03 -0.08 2.63 0.11 -0.33 -4.43 120.40 118.61 1k0s s VAL 13 Ca 0.32 -1.31 -0.21 0.00 -2.93 0.00 0.00 61.98 57.85 1k0s s VAL 13 Cb -0.17 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1k0s s VAL 13 CO 0.16 -0.14 0.60 -0.22 -3.33 0.00 0.00 175.10 172.17 1k0s s LEU 14 N -2.98 4.31 0.04 2.54 1.98 -0.76 0.14 118.68 123.95 1k0s s LEU 14 Ca 0.19 1.03 -0.06 0.00 -2.89 0.00 0.00 54.13 52.41 1k0s s LEU 14 Cb 0.01 -2.91 -0.01 0.00 0.66 0.00 0.00 46.19 43.94 1k0s s LEU 14 CO 0.04 -0.05 0.10 -0.55 -1.89 0.00 0.00 176.35 174.00 1k0s s SER 15 N 0.63 0.19 0.16 3.68 0.15 -0.14 0.24 113.70 118.60 1k0s s SER 15 Ca 0.32 -0.56 -0.12 0.00 0.70 0.00 0.00 55.95 56.30 1k0s s SER 15 Cb -0.17 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1k0s s SER 15 CO 0.15 -0.53 0.34 0.72 1.20 0.00 0.00 173.24 175.12 1k0s s PHE 16 N -2.73 0.17 -0.10 3.44 -0.12 0.12 1.00 117.98 119.75 1k0s s PHE 16 Ca -0.04 -0.53 -0.21 0.00 -0.05 0.00 0.00 56.93 56.09 1k0s s PHE 16 Cb -0.00 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 1k0s s PHE 16 CO -0.05 -0.74 0.62 -1.21 -0.05 0.00 0.00 175.22 173.79 1k0s s GLU 17 N -3.91 4.38 -0.53 1.99 0.41 0.62 -1.41 118.70 120.24 1k0s s GLU 17 Ca 0.12 0.71 0.04 0.00 -0.41 0.00 0.00 54.97 55.43 1k0s s GLU 17 Cb 0.02 -3.46 0.14 0.00 -1.78 0.00 0.00 34.13 29.05 1k0s s GLU 17 CO -0.04 0.05 0.30 0.42 -0.49 0.00 0.00 175.26 175.50 1k0s s ILE 18 N 0.90 2.30 -1.12 -1.63 -1.09 0.31 -4.12 121.20 116.76 1k0s s ILE 18 Ca 0.33 -3.30 -0.19 0.00 -2.23 0.00 0.00 60.65 55.26 1k0s s ILE 18 Cb -0.17 -2.58 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 1k0s s ILE 18 CO 0.15 -0.87 0.82 0.47 -1.23 0.00 0.00 174.94 174.27 1k0s n ASP 19 N 2.99 -5.57 0.00 3.58 9.92 -1.26 -1.41 116.55 124.80 1k0s n ASP 19 Ca 0.09 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.38 1k0s n ASP 19 Cb 0.34 -3.67 0.00 0.00 -0.64 0.00 0.00 41.12 37.15 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k0s n GLU 20 N -4.03 0.00 -3.26 -1.24 -0.58 -1.26 -4.74 120.64 105.53 1k0s n GLU 20 Ca -0.09 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.28 1k0s n GLU 20 Cb 0.59 -0.21 -0.06 0.00 -0.57 0.00 0.00 31.44 31.20 1k0s n GLU 20 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1k0s s GLN 21 N 0.00 4.16 0.42 3.49 0.74 -0.50 -4.97 119.66 123.00 1k0s s GLN 21 Ca 0.00 0.70 -0.05 0.00 0.05 0.00 0.00 55.36 56.06 1k0s s GLN 21 Cb 0.00 -3.09 -0.04 0.00 1.10 0.00 0.00 33.01 30.98 1k0s s GLN 21 CO 0.00 0.55 0.72 0.00 -0.55 0.00 0.00 175.29 176.01 1k0s s ALA 22 N -1.29 3.46 -0.17 1.58 0.00 -0.89 0.11 121.76 124.57 1k0s s ALA 22 Ca 0.34 -0.51 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1k0s s ALA 22 Cb -0.18 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.48 1k0s s ALA 22 CO 0.20 -0.17 0.44 -1.17 0.00 0.00 0.00 175.76 175.06 1k0s s LEU 23 N -4.37 0.29 -0.01 0.00 2.96 -0.50 0.44 118.68 117.50 1k0s s LEU 23 Ca 0.47 0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 55.24 1k0s s LEU 23 Cb -0.10 1.51 -0.00 0.00 0.50 0.00 0.00 46.19 48.10 1k0s s LEU 23 CO 0.39 -0.16 0.06 0.00 -1.32 0.00 0.00 176.35 175.32 1k0s s ALA 24 N 0.28 -0.13 -0.03 5.97 0.00 0.29 0.13 121.76 128.28 1k0s s ALA 24 Ca -0.00 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1k0s s ALA 24 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1k0s s ALA 24 CO 0.00 -0.10 -0.25 -0.06 0.00 0.00 0.00 175.76 175.35 1k0s s PHE 25 N -0.65 2.39 -0.08 0.00 0.40 0.14 -1.56 117.98 118.61 1k0s s PHE 25 Ca -0.07 -0.49 -0.37 0.00 -0.60 0.00 0.00 56.93 55.40 1k0s s PHE 25 Cb -0.04 -1.53 -0.14 0.00 0.51 0.00 0.00 43.02 41.81 1k0s s PHE 25 CO 0.00 -0.07 1.69 -3.47 0.70 0.00 0.00 175.22 174.08 1k0s n ASP 26 N 2.56 2.72 0.02 1.36 2.03 -0.95 -1.83 116.55 122.45 1k0s n ASP 26 Ca -0.16 1.05 0.04 0.00 0.52 0.00 0.00 54.79 56.24 1k0s n ASP 26 Cb 0.51 -1.27 0.18 0.00 -0.72 0.00 0.00 41.12 39.82 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1k0s n VAL 27 N 4.21 1.50 -0.10 5.18 0.24 -1.26 -1.65 118.33 126.46 1k0s n VAL 27 Ca 0.22 0.41 -0.11 0.00 -2.04 0.00 0.00 64.34 62.82 1k0s n VAL 27 Cb 0.22 -1.31 0.02 0.00 -1.47 0.00 0.00 33.84 31.30 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 0.91 0.07 -1.34 3.32 -1.90 -3.30 116.42 114.18 1k0s h ASP 28 Ca 0.00 -0.40 -0.30 0.00 0.02 0.00 0.00 57.03 56.35 1k0s h ASP 28 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1k0s h ASP 28 CO 0.00 1.17 -1.63 -1.13 -1.72 0.00 0.00 179.24 175.93 1k0s h ASN 29 N 0.71 0.23 -2.84 6.45 -0.73 -1.72 -3.46 115.58 114.21 1k0s h ASN 29 Ca 0.07 -0.74 -0.53 0.00 1.87 0.00 0.00 56.30 56.97 1k0s h ASN 29 Cb 0.93 -0.07 0.04 0.00 0.27 0.00 0.00 38.32 39.48 1k0s h ASN 29 CO 0.09 1.68 0.87 -0.63 -0.37 0.00 0.00 177.43 179.06 1k0s s ILE 30 N -2.47 2.83 -0.24 2.57 -1.09 -0.66 -1.91 121.20 120.24 1k0s s ILE 30 Ca -0.25 0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 58.55 1k0s s ILE 30 Cb 0.06 -3.36 -0.14 0.00 -1.58 0.00 0.00 42.46 37.44 1k0s s ILE 30 CO 0.69 0.04 -0.12 -1.84 -1.23 0.00 0.00 174.94 172.47 1k0s n GLU 31 N 4.21 0.57 -3.55 2.79 0.28 -0.78 -4.69 120.64 119.47 1k0s n GLU 31 Ca 0.14 0.40 -0.09 0.00 -0.16 0.00 0.00 57.16 57.44 1k0s n GLU 31 Cb 0.40 -1.60 -0.04 0.00 1.43 0.00 0.00 31.44 31.63 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 -2.46 0.64 0.37 3.44 -1.94 -1.19 -5.04 119.30 113.13 1k0s s MET 32 Ca -0.33 -0.06 -0.07 0.00 -1.71 0.00 0.00 55.69 53.52 1k0s s MET 32 Cb 0.10 0.30 -0.05 0.00 2.01 0.00 0.00 34.83 37.19 1k0s s MET 32 CO 0.51 -0.25 0.68 0.14 -0.01 0.00 0.00 175.02 176.10 1k0s s VAL 33 N -2.05 4.91 -0.14 -6.03 -7.23 -1.26 -0.15 120.40 108.45 1k0s s VAL 33 Ca 0.02 0.29 -0.12 0.00 -1.81 0.00 0.00 61.98 60.35 1k0s s VAL 33 Cb -0.01 -3.76 0.04 0.00 0.56 0.00 0.00 36.38 33.21 1k0s s VAL 33 CO -0.03 -0.51 0.38 0.27 -0.31 0.00 0.00 175.10 174.90 1k0s s ILE 34 N -2.33 -0.00 -0.36 -0.62 -4.36 0.14 -4.85 121.20 108.81 1k0s s ILE 34 Ca 0.47 0.01 -0.11 0.00 -0.26 0.00 0.00 60.65 60.77 1k0s s ILE 34 Cb -0.10 -0.53 0.02 0.00 1.25 0.00 0.00 42.46 43.10 1k0s s ILE 34 CO 0.33 0.01 0.19 -1.83 0.24 0.00 0.00 174.94 173.88 1k0s s GLU 35 N 0.36 2.89 -0.39 0.37 -1.05 -1.26 0.20 118.70 119.81 1k0s s GLU 35 Ca -0.01 -1.03 0.04 0.00 -0.15 0.00 0.00 54.97 53.81 1k0s s GLU 35 Cb -0.03 -3.70 0.30 0.00 -0.44 0.00 0.00 34.13 30.26 1k0s s GLU 35 CO -0.01 -0.66 1.20 1.17 0.95 0.00 0.00 175.26 177.91 1k0s n LYS 36 N 4.99 0.50 -0.11 -4.83 4.81 -1.26 -4.97 118.16 117.29 1k0s n LYS 36 Ca -0.12 -1.24 -0.07 0.00 -0.87 0.00 0.00 58.31 56.01 1k0s n LYS 36 Cb 0.46 -0.65 0.07 0.00 0.02 0.00 0.00 35.03 34.93 1k0s n LYS 36 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1k0s n SER 37 N 0.88 -2.16 -4.13 3.14 3.41 -1.22 -3.98 113.62 109.56 1k0s n SER 37 Ca 0.02 -0.21 -0.31 0.00 -0.26 0.00 0.00 58.87 58.11 1k0s n SER 37 Cb 0.71 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1k0s n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k0s n ASP 38 N -2.62 -1.57 -4.83 4.04 2.03 -1.26 -4.92 116.55 107.42 1k0s n ASP 38 Ca 0.03 -1.05 -0.32 0.00 0.52 0.00 0.00 54.79 53.98 1k0s n ASP 38 Cb 0.14 -2.72 -0.00 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 -3.69 4.30 0.00 5.18 1.01 -1.26 -4.71 121.20 122.04 1k0s s ILE 39 Ca 0.36 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1k0s s ILE 39 Cb -0.20 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1k0s s ILE 39 CO 0.92 -0.74 0.00 0.41 0.00 0.00 0.00 174.94 175.53 1k0s n THR 40 N -2.13 0.00 -0.11 2.92 -1.04 -1.25 -4.73 114.28 107.95 1k0s n THR 40 Ca 0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 1k0s n THR 40 Cb 0.54 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.93 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 0.00 0.56 -0.10 -2.82 -0.04 -1.26 -3.89 135.00 127.45 1k0s n PRO 41 Ca 0.00 0.55 -0.10 0.00 -0.04 0.00 0.00 63.50 63.91 1k0s n PRO 41 Cb 0.00 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 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 1.22 0.24 0.52 2.07 -1.89 -3.27 116.25 114.14 1k0s h VAL 42 Ca -0.37 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1k0s h VAL 42 Cb 1.32 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1k0s h VAL 42 CO -0.23 0.25 -0.24 -0.65 0.02 0.00 0.00 177.57 176.73 1k0s h PRO 43 N 0.34 -0.49 0.00 1.57 0.11 -1.95 -3.45 132.00 128.13 1k0s h PRO 43 Ca 0.10 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1k0s h PRO 43 Cb 0.31 0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1k0s h PRO 43 CO 0.00 -0.33 0.00 0.36 -0.21 0.00 0.00 178.00 177.83 1k0s n LYS 44 N -5.36 0.00 -2.78 1.05 2.85 -1.23 -4.89 118.16 107.79 1k0s n LYS 44 Ca -0.08 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.07 1k0s n LYS 44 Cb 0.27 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.70 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k0s n SER 45 N 1.79 -3.34 -2.67 -5.58 2.88 -1.26 -4.98 113.62 100.45 1k0s n SER 45 Ca 0.00 -0.42 -0.04 0.00 -1.33 0.00 0.00 58.87 57.08 1k0s n SER 45 Cb 0.00 -3.48 0.12 0.00 -0.75 0.00 0.00 64.21 60.10 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k0s n ARG 46 N -2.82 1.28 0.00 -1.46 1.74 -1.26 -5.11 116.66 109.03 1k0s n ARG 46 Ca -0.12 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 1k0s n ARG 46 Cb 0.59 0.24 0.00 0.00 -1.02 0.00 0.00 32.46 32.27 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1k0s n HIS 47 N -1.16 0.00 -0.13 -1.55 8.25 -1.26 -1.77 115.22 117.60 1k0s n HIS 47 Ca -0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.47 1k0s n HIS 47 Cb 0.86 0.01 0.50 0.00 1.12 0.00 0.00 29.99 32.48 1k0s n HIS 47 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1k0s h PHE 48 N 0.00 0.47 -1.29 4.41 3.57 -1.87 -3.42 116.94 118.81 1k0s h PHE 48 Ca 0.00 0.01 -0.73 0.00 3.53 0.00 0.00 57.97 60.78 1k0s h PHE 48 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1k0s h PHE 48 CO 0.00 0.21 1.06 0.28 -2.23 0.00 0.00 178.31 177.62 1k0s n VAL 49 N -4.47 0.25 0.10 1.41 0.31 -0.73 -4.84 118.33 110.36 1k0s n VAL 49 Ca 0.12 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.20 1k0s n VAL 49 Cb 0.44 -1.24 -0.13 0.00 -0.91 0.00 0.00 33.84 32.00 1k0s n VAL 49 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1k0s h GLU 50 N 8.51 0.28 0.00 5.55 4.11 -1.66 -3.41 114.58 127.96 1k0s h GLU 50 Ca -0.39 -0.45 -0.13 0.00 0.07 0.00 0.00 59.36 58.46 1k0s h GLU 50 Cb 1.33 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 1k0s h GLU 50 CO 0.99 1.20 -0.02 0.41 0.07 0.00 0.00 179.01 181.66 1k0s n GLY 51 N 1.46 2.23 3.65 1.06 0.00 -0.96 -4.38 105.19 108.25 1k0s n GLY 51 Ca -0.08 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.61 0.00 -0.22 1.61 -7.23 -1.26 0.64 120.40 111.33 1k0s s VAL 52 Ca 0.15 -1.25 -0.23 0.00 -1.81 0.00 0.00 61.98 58.85 1k0s s VAL 52 Cb -0.01 -2.09 0.06 0.00 0.56 0.00 0.00 36.38 34.90 1k0s s VAL 52 CO 0.11 -0.02 0.64 0.27 -0.31 0.00 0.00 175.10 175.79 1k0s s ILE 53 N -3.98 0.00 0.06 -0.62 -4.36 -0.45 -3.87 121.20 107.98 1k0s s ILE 53 Ca 0.18 -0.01 -0.20 0.00 -0.26 0.00 0.00 60.65 60.36 1k0s s ILE 53 Cb -0.02 -0.90 -0.06 0.00 1.25 0.00 0.00 42.46 42.73 1k0s s ILE 53 CO 0.07 -0.01 0.59 0.21 0.24 0.00 0.00 174.94 176.05 1k0s s ASN 54 N 0.17 7.07 -0.28 4.36 2.47 -1.26 0.27 114.94 127.74 1k0s s ASN 54 Ca -0.01 1.27 -0.24 0.00 0.42 0.00 0.00 52.86 54.30 1k0s s ASN 54 Cb -0.04 -2.37 0.13 0.00 -1.45 0.00 0.00 41.25 37.52 1k0s s ASN 54 CO 0.02 0.23 1.06 -0.22 -3.72 0.00 0.00 177.10 174.47 1k0s s LEU 55 N -0.92 -0.43 -1.43 3.21 1.98 -0.11 -4.95 118.68 116.04 1k0s s LEU 55 Ca 0.30 0.80 -0.02 0.00 -2.89 0.00 0.00 54.13 52.32 1k0s s LEU 55 Cb -0.19 1.79 0.01 0.00 0.66 0.00 0.00 46.19 48.46 1k0s s LEU 55 CO 0.19 -0.14 0.48 -1.14 -1.89 0.00 0.00 176.35 173.85 1k0s n ARG 56 N 2.39 -3.46 -3.88 1.98 0.00 -1.26 -0.75 116.66 111.69 1k0s n ARG 56 Ca -0.13 0.42 -0.29 0.00 -0.00 0.00 0.00 57.85 57.85 1k0s n ARG 56 Cb 0.56 -4.64 0.03 0.00 0.00 0.00 0.00 32.46 28.41 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 -1.91 -0.46 3.62 5.14 0.00 -1.26 -4.96 105.19 105.36 1k0s n GLY 57 Ca -0.27 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.53 0.48 -0.04 1.61 6.06 0.07 -5.15 118.95 115.45 1k0s s ARG 58 Ca 0.56 0.89 -0.21 0.00 -2.50 0.00 0.00 55.73 54.48 1k0s s ARG 58 Cb -0.28 0.19 -0.05 0.00 0.06 0.00 0.00 34.95 34.87 1k0s s ARG 58 CO 0.83 -0.11 0.59 0.42 -2.50 0.00 0.00 175.30 174.53 1k0s s ILE 59 N 1.66 5.00 -0.16 4.11 1.09 -1.26 -0.93 121.20 130.71 1k0s s ILE 59 Ca -0.08 1.23 -0.02 0.00 -1.10 0.00 0.00 60.65 60.67 1k0s s ILE 59 Cb -0.05 -3.93 -0.01 0.00 -1.06 0.00 0.00 42.46 37.41 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 0.22 3.27 -0.15 2.92 -4.36 0.14 -4.87 121.20 118.37 1k0s s ILE 60 Ca 0.31 -0.57 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 1k0s s ILE 60 Cb -0.17 -2.42 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 1k0s s ILE 60 CO 0.16 0.49 1.15 -2.16 0.24 0.00 0.00 174.94 174.82 1k0s s PRO 61 N 0.68 4.29 -0.09 0.37 0.04 -1.21 -1.34 135.00 137.74 1k0s s PRO 61 Ca -0.05 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 1k0s s PRO 61 Cb -0.15 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1k0s s PRO 61 CO 0.02 -0.57 0.60 0.14 0.04 0.00 0.00 177.00 177.23 1k0s s VAL 62 N 2.91 5.11 0.32 -0.36 -7.23 0.21 -1.07 120.40 120.29 1k0s s VAL 62 Ca 0.51 1.22 0.02 0.00 -1.81 0.00 0.00 61.98 61.93 1k0s s VAL 62 Cb -0.20 -3.94 0.02 0.00 0.56 0.00 0.00 36.38 32.82 1k0s s VAL 62 CO 0.15 0.28 0.16 0.52 -0.31 0.00 0.00 175.10 175.89 1k0s n VAL 63 N 3.78 0.00 -3.27 1.32 0.31 0.14 -2.00 118.33 118.61 1k0s n VAL 63 Ca -0.04 -1.36 -0.25 0.00 -0.01 0.00 0.00 64.34 62.68 1k0s n VAL 63 Cb 0.51 -0.03 -0.07 0.00 -0.91 0.00 0.00 33.84 33.34 1k0s n VAL 63 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1k0s n ASN 64 N -1.65 1.30 -0.29 4.52 6.94 -1.26 -1.70 115.26 123.12 1k0s n ASN 64 Ca -0.05 -2.92 0.12 0.00 -0.02 0.00 0.00 54.58 51.70 1k0s n ASN 64 Cb 0.38 -0.65 0.37 0.00 -2.36 0.00 0.00 39.78 37.52 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1k0s h LEU 65 N 4.08 0.68 -1.97 -4.53 6.46 -1.89 0.32 115.31 118.47 1k0s h LEU 65 Ca 0.11 0.05 0.25 0.00 -0.12 0.00 0.00 57.88 58.17 1k0s h LEU 65 Cb 0.81 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1k0s h LEU 65 CO 0.58 0.33 0.66 0.00 -0.62 0.00 0.00 178.44 179.39 1k0s h ALA 66 N 1.60 2.78 0.14 1.25 0.00 -1.91 0.73 119.26 123.85 1k0s h ALA 66 Ca 0.47 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 55.10 1k0s h ALA 66 Cb 0.74 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1k0s h ALA 66 CO -0.22 -1.11 -1.16 -0.22 0.00 0.00 0.00 179.25 176.54 1k0s h LYS 67 N 0.00 0.31 -0.72 0.00 3.11 -0.62 1.24 116.57 119.90 1k0s h LYS 67 Ca 0.41 -0.52 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1k0s h LYS 67 Cb 1.73 0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 33.12 1k0s h LYS 67 CO -0.00 1.25 0.41 0.97 -2.81 0.00 0.00 179.45 179.27 1k0s h ILE 68 N -0.28 1.21 0.00 2.00 2.10 -0.32 -2.94 117.51 119.27 1k0s h ILE 68 Ca -0.23 -0.49 -0.03 0.00 1.08 0.00 0.00 64.86 65.20 1k0s h ILE 68 Cb 1.76 0.22 -0.00 0.00 -1.09 0.00 0.00 36.82 37.71 1k0s h ILE 68 CO 0.13 0.22 -0.18 0.25 -1.08 0.00 0.00 178.15 177.49 1k0s h LEU 69 N 0.99 0.00 0.00 2.19 7.12 0.23 -3.49 115.31 122.36 1k0s h LEU 69 Ca 0.26 -0.55 0.00 0.00 0.13 0.00 0.00 57.88 57.72 1k0s h LEU 69 Cb -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1k0s h LEU 69 CO -0.04 0.88 0.00 0.61 -0.13 0.00 0.00 178.44 179.75 1k0s n GLY 70 N 1.65 2.45 0.43 3.75 0.00 0.43 -5.04 105.19 108.85 1k0s n GLY 70 Ca -0.09 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -0.30 -0.61 -5.35 -1.25 -3.90 119.36 107.94 1k0s n ILE 71 Ca 0.00 0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.59 1k0s n ILE 71 Cb 0.00 -0.14 0.31 0.00 -1.74 0.00 0.00 39.64 38.07 1k0s n ILE 71 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1k0s h SER 72 N -0.48 0.79 -0.25 7.28 0.87 -1.87 -3.44 113.55 116.45 1k0s h SER 72 Ca 0.00 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.45 1k0s h SER 72 Cb 1.08 -0.12 0.03 0.00 -0.44 0.00 0.00 62.40 62.95 1k0s h SER 72 CO 0.00 0.43 -0.13 0.33 -0.53 0.00 0.00 176.83 176.93 1k0s n PHE 73 N -4.57 -0.15 -2.33 2.24 7.35 -1.25 -4.89 117.46 113.86 1k0s n PHE 73 Ca 0.17 0.22 -0.01 0.00 -0.76 0.00 0.00 57.45 57.06 1k0s n PHE 73 Cb 0.38 -0.45 0.03 0.00 0.35 0.00 0.00 39.48 39.79 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 0.47 -0.49 -3.17 -2.13 2.03 -1.26 -4.98 116.55 107.02 1k0s n ASP 74 Ca 0.04 -1.26 -0.22 0.00 0.52 0.00 0.00 54.79 53.87 1k0s n ASP 74 Cb 0.06 0.21 0.01 0.00 -0.72 0.00 0.00 41.12 40.69 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 -0.42 -4.04 -0.04 -0.67 1.02 -1.26 -4.90 120.64 110.32 1k0s n GLU 75 Ca -0.08 0.68 -0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1k0s n GLU 75 Cb 0.58 -5.46 -0.00 0.00 -0.02 0.00 0.00 31.44 26.54 1k0s n GLU 75 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1k0s h GLN 76 N -1.12 0.00 0.00 3.49 1.08 -1.95 -3.42 115.11 113.19 1k0s h GLN 76 Ca -0.47 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.56 1k0s h GLN 76 Cb 1.32 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.72 1k0s h GLN 76 CO 0.54 0.00 -2.02 1.63 -0.95 0.00 0.00 178.83 178.03 1k0s n LYS 77 N -4.39 0.91 0.00 1.46 4.01 -1.26 -5.05 118.16 113.83 1k0s n LYS 77 Ca -0.01 -0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1k0s n LYS 77 Cb 0.02 -1.44 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1k0s n MET 78 N -2.40 0.00 0.00 1.97 2.81 -1.26 -4.81 117.12 113.42 1k0s n MET 78 Ca -0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1k0s n MET 78 Cb 0.79 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.30 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 0.00 0.00 -1.64 0.03 2.85 -0.03 -4.88 118.16 114.49 1k0s n LYS 79 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1k0s n LYS 79 Cb 0.00 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.47 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k0s n SER 80 N -0.59 0.61 -3.68 -5.58 2.88 0.16 -3.38 113.62 104.05 1k0s n SER 80 Ca 0.00 -1.59 -0.11 0.00 -1.33 0.00 0.00 58.87 55.84 1k0s n SER 80 Cb 0.00 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.94 1k0s n SER 80 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1k0s s ILE 81 N -2.10 0.08 -0.01 2.46 1.01 0.13 -1.86 121.20 120.91 1k0s s ILE 81 Ca 0.43 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1k0s s ILE 81 Cb -0.02 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1k0s s ILE 81 CO 0.29 -0.35 -0.09 -0.63 0.00 0.00 0.00 174.94 174.16 1k0s s ILE 82 N -3.40 0.71 0.14 2.92 1.01 0.18 0.24 121.20 123.01 1k0s s ILE 82 Ca 0.01 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.33 1k0s s ILE 82 Cb 0.01 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1k0s s ILE 82 CO -0.09 0.20 0.02 -0.69 0.00 0.00 0.00 174.94 174.38 1k0s s VAL 83 N -0.21 3.96 0.26 2.92 1.01 0.79 -0.02 120.40 129.11 1k0s s VAL 83 Ca 0.03 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 1k0s s VAL 83 Cb -0.03 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1k0s s VAL 83 CO -0.00 -0.01 0.58 0.00 0.00 0.00 0.00 175.10 175.67 1k0s s ALA 84 N -1.55 -0.68 -0.05 5.51 0.00 0.32 -1.87 121.76 123.43 1k0s s ALA 84 Ca 0.27 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1k0s s ALA 84 Cb -0.10 0.97 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1k0s s ALA 84 CO 0.19 -0.93 -0.14 -0.98 0.00 0.00 0.00 175.76 173.91 1k0s s ARG 85 N -3.97 1.66 -0.23 0.00 1.70 -0.80 0.44 118.95 117.75 1k0s s ARG 85 Ca 0.17 -0.48 -0.03 0.00 -0.47 0.00 0.00 55.73 54.92 1k0s s ARG 85 Cb -0.03 -1.41 0.12 0.00 -0.57 0.00 0.00 34.95 33.06 1k0s s ARG 85 CO 0.08 0.12 0.30 0.95 -1.08 0.00 0.00 175.30 175.67 1k0s s THR 86 N 0.36 -0.47 -1.13 4.99 -4.23 0.33 -4.78 115.64 110.72 1k0s s THR 86 Ca -0.09 -0.12 -0.21 0.00 -1.18 0.00 0.00 61.69 60.08 1k0s s THR 86 Cb -0.13 -0.77 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 1k0s s THR 86 CO 0.03 -0.19 0.79 1.17 -0.54 0.00 0.00 174.62 175.88 1k0s n LYS 87 N 5.34 -1.17 -2.80 3.99 4.81 -1.26 -0.45 118.16 126.62 1k0s n LYS 87 Ca -0.04 0.45 -0.19 0.00 -0.87 0.00 0.00 58.31 57.66 1k0s n LYS 87 Cb 0.50 -4.04 0.01 0.00 0.02 0.00 0.00 35.03 31.51 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1k0s n ASP 88 N -2.64 -4.89 -3.94 3.14 5.75 -1.26 -4.95 116.55 107.76 1k0s n ASP 88 Ca -0.09 -0.11 -0.30 0.00 -0.01 0.00 0.00 54.79 54.27 1k0s n ASP 88 Cb 0.59 -4.04 -0.16 0.00 -1.03 0.00 0.00 41.12 36.48 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1k0s s VAL 89 N -2.93 1.54 -0.81 2.12 1.01 0.41 -5.06 120.40 116.68 1k0s s VAL 89 Ca 0.17 -1.27 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 1k0s s VAL 89 Cb -0.08 -1.83 0.10 0.00 0.00 0.00 0.00 36.38 34.57 1k0s s VAL 89 CO 0.22 -0.14 1.06 -1.61 0.00 0.00 0.00 175.10 174.63 1k0s s GLU 90 N 1.38 3.37 0.38 2.72 2.02 -1.26 0.12 118.70 127.44 1k0s s GLU 90 Ca -0.05 -1.31 -0.07 0.00 0.02 0.00 0.00 54.97 53.56 1k0s s GLU 90 Cb -0.19 -4.63 -0.05 0.00 0.10 0.00 0.00 34.13 29.36 1k0s s GLU 90 CO -0.07 -1.81 0.70 0.08 0.02 0.00 0.00 175.26 174.18 1k0s s VAL 91 N 3.42 4.89 0.26 2.63 1.01 0.17 -3.30 120.40 129.47 1k0s s VAL 91 Ca 0.28 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1k0s s VAL 91 Cb -0.10 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1k0s s VAL 91 CO -0.01 -0.51 -0.01 -0.83 0.00 0.00 0.00 175.10 173.74 1k0s s GLY 92 N -3.35 1.69 -0.17 4.51 0.00 -0.23 0.12 107.32 109.90 1k0s s GLY 92 Ca 0.48 -1.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.25 1k0s s GLY 92 CO 0.33 -1.73 0.42 -0.12 0.00 0.00 0.00 173.10 172.00 1k0s s PHE 93 N -3.30 -0.56 -0.15 1.90 5.36 0.97 0.28 117.98 122.49 1k0s s PHE 93 Ca 0.30 1.23 -0.21 0.00 -0.96 0.00 0.00 56.93 57.29 1k0s s PHE 93 Cb 0.06 0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1k0s s PHE 93 CO 0.10 -0.30 0.63 -1.17 -1.46 0.00 0.00 175.22 173.02 1k0s s LEU 94 N 0.98 4.21 0.00 6.12 2.96 -0.69 0.50 118.68 132.76 1k0s s LEU 94 Ca -0.06 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.82 1k0s s LEU 94 Cb -0.06 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 1k0s s LEU 94 CO -0.08 -0.19 0.12 1.33 -1.32 0.00 0.00 176.35 176.21 1k0s n VAL 95 N 4.28 0.00 -0.09 1.68 0.24 -0.78 -4.77 118.33 118.90 1k0s n VAL 95 Ca -0.02 -1.32 -0.09 0.00 -2.04 0.00 0.00 64.34 60.87 1k0s n VAL 95 Cb 0.50 0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 33.42 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 -2.04 1.92 -3.62 -1.34 2.03 -1.26 0.38 116.55 112.62 1k0s n ASP 96 Ca 0.01 0.33 -0.17 0.00 0.52 0.00 0.00 54.79 55.47 1k0s n ASP 96 Cb 0.33 -0.73 -0.14 0.00 -0.72 0.00 0.00 41.12 39.86 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 -2.88 0.10 -0.30 -0.67 3.52 -1.26 -2.47 118.95 114.99 1k0s s ARG 97 Ca -0.28 0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 55.69 1k0s s ARG 97 Cb 0.04 -0.52 -0.03 0.00 -1.56 0.00 0.00 34.95 32.87 1k0s s ARG 97 CO 0.42 -0.41 0.19 0.54 -0.81 0.00 0.00 175.30 175.23 1k0s s VAL 98 N 2.32 5.13 0.39 7.11 0.11 -1.26 -0.28 120.40 133.92 1k0s s VAL 98 Ca 0.04 -0.04 0.15 0.00 -2.93 0.00 0.00 61.98 59.20 1k0s s VAL 98 Cb -0.13 -3.51 0.15 0.00 -1.53 0.00 0.00 36.38 31.36 1k0s s VAL 98 CO -0.08 0.17 1.91 -0.07 -3.33 0.00 0.00 175.10 173.69 1k0s h LEU 99 N 8.39 0.00 0.00 2.54 -0.00 0.30 -3.47 115.31 123.07 1k0s h LEU 99 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1k0s h LEU 99 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1k0s h LEU 99 CO 0.58 0.28 0.00 0.61 -0.00 0.00 0.00 178.44 179.91 1k0s n GLY 100 N -0.65 1.11 3.64 0.83 0.00 -0.47 -4.91 105.19 104.74 1k0s n GLY 100 Ca -0.02 -0.90 -0.48 0.00 0.00 0.00 0.00 46.02 44.62 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 0.23 -4.20 1.61 0.24 -1.25 -0.96 118.33 114.00 1k0s n VAL 101 Ca 0.00 -0.06 -0.16 0.00 -2.04 0.00 0.00 64.34 62.08 1k0s n VAL 101 Cb 0.00 -1.23 -0.14 0.00 -1.47 0.00 0.00 33.84 31.00 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 0.63 2.05 -1.29 1.34 2.96 0.37 -4.81 118.68 119.94 1k0s s LEU 102 Ca 0.78 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 1k0s s LEU 102 Cb -0.78 -0.31 0.16 0.00 0.50 0.00 0.00 46.19 45.76 1k0s s LEU 102 CO 0.44 0.04 1.88 -2.11 -1.32 0.00 0.00 176.35 175.28 1k0s n ARG 103 N 2.71 3.56 -3.21 1.98 1.85 -1.26 -1.18 116.66 121.11 1k0s n ARG 103 Ca -0.14 -3.48 -0.39 0.00 -1.00 0.00 0.00 57.85 52.84 1k0s n ARG 103 Cb 0.57 -2.95 -0.06 0.00 -1.05 0.00 0.00 32.46 28.97 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k0s s ILE 104 N 0.61 4.83 0.49 8.89 -1.09 0.61 -4.80 121.20 130.74 1k0s s ILE 104 Ca 0.40 1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 60.06 1k0s s ILE 104 Cb 0.09 -3.94 0.10 0.00 -1.58 0.00 0.00 42.46 37.14 1k0s s ILE 104 CO -0.00 0.46 0.66 0.35 -1.23 0.00 0.00 174.94 175.19 1k0s n THR 105 N 2.36 0.00 -3.06 2.92 -2.24 -1.26 0.15 114.28 113.16 1k0s n THR 105 Ca -0.08 -0.84 -0.16 0.00 -2.27 0.00 0.00 64.05 60.70 1k0s n THR 105 Cb 0.51 -1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.43 1k0s n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k0s n GLU 106 N -2.29 0.47 -0.52 -0.78 2.13 -1.26 -4.67 120.64 113.72 1k0s n GLU 106 Ca 0.10 -2.59 0.05 0.00 0.66 0.00 0.00 57.16 55.38 1k0s n GLU 106 Cb 0.35 -1.50 0.24 0.00 0.27 0.00 0.00 31.44 30.80 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 2.49 3.51 -2.76 4.31 5.03 -1.26 -4.61 115.26 121.97 1k0s n ASN 107 Ca 0.22 -3.19 -0.09 0.00 0.87 0.00 0.00 54.58 52.38 1k0s n ASN 107 Cb 0.54 -0.56 0.08 0.00 -1.02 0.00 0.00 39.78 38.82 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k0s n GLN 108 N -0.70 1.02 0.00 3.52 0.00 -1.26 -4.63 117.38 115.33 1k0s n GLN 108 Ca 0.24 -2.02 0.00 0.00 0.00 0.00 0.00 57.00 55.23 1k0s n GLN 108 Cb 0.93 -1.04 0.00 0.00 0.00 0.00 0.00 30.24 30.12 1k0s n GLN 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1k0s n LEU 109 N 0.33 0.00 -3.53 2.61 4.77 -1.26 -4.85 117.00 115.06 1k0s n LEU 109 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1k0s n LEU 109 Cb 0.70 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 1k0s n LEU 109 CO 0.05 -0.16 0.75 -0.62 -1.33 0.00 0.00 177.39 176.08 1k0s s ASP 110 N -2.00 -0.34 -0.16 -1.43 2.15 -1.26 -4.92 116.67 108.72 1k0s s ASP 110 Ca 0.00 0.11 -0.07 0.00 0.43 0.00 0.00 52.55 53.02 1k0s s ASP 110 Cb 0.00 0.33 0.03 0.00 -0.30 0.00 0.00 42.92 42.98 1k0s s ASP 110 CO 0.00 -0.49 0.14 0.18 -0.17 0.00 0.00 175.17 174.82 1k0s n LEU 111 N 0.04 -5.34 -3.96 -1.34 4.77 -1.26 -4.33 117.00 105.56 1k0s n LEU 111 Ca -0.08 1.51 -0.27 0.00 -0.03 0.00 0.00 56.01 57.14 1k0s n LEU 111 Cb 0.60 -2.67 -0.01 0.00 -2.33 0.00 0.00 43.42 39.01 1k0s n LEU 111 CO 0.12 -2.77 -0.17 1.07 -1.33 0.00 0.00 177.39 174.31 1k0s n THR 112 N 1.04 -2.85 -3.65 -5.08 5.66 -1.26 -4.96 114.28 103.18 1k0s n THR 112 Ca -0.23 -0.40 -0.11 0.00 -3.05 0.00 0.00 64.05 60.26 1k0s n THR 112 Cb 0.35 -2.63 -0.08 0.00 -1.55 0.00 0.00 70.33 66.42 1k0s n THR 112 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1k0s s ASN 113 N -4.16 -0.77 -0.30 1.09 0.01 -1.26 -4.94 114.94 104.61 1k0s s ASN 113 Ca 0.14 1.35 -0.20 0.00 -0.71 0.00 0.00 52.86 53.45 1k0s s ASN 113 Cb -0.08 1.29 0.19 0.00 0.41 0.00 0.00 41.25 43.07 1k0s s ASN 113 CO 0.88 -0.23 1.31 0.68 -1.51 0.00 0.00 177.10 178.24 1k0s s VAL 114 N 0.95 -0.00 -0.18 1.60 -7.23 -1.26 -4.16 120.40 110.11 1k0s s VAL 114 Ca -0.05 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 1k0s s VAL 114 Cb -0.05 -1.00 0.12 0.00 0.56 0.00 0.00 36.38 36.01 1k0s s VAL 114 CO -0.08 0.00 0.99 -0.55 -0.31 0.00 0.00 175.10 175.14 1k0s s SER 115 N 2.31 -0.40 0.19 4.85 0.15 -1.26 -5.05 113.70 114.48 1k0s s SER 115 Ca -0.03 0.53 -0.14 0.00 0.70 0.00 0.00 55.95 57.01 1k0s s SER 115 Cb -0.02 0.45 0.19 0.00 -1.71 0.00 0.00 66.02 64.92 1k0s s SER 115 CO -0.13 -0.31 1.69 0.44 1.20 0.00 0.00 173.24 176.13 1k0s h ASP 116 N 2.96 -0.18 0.00 5.45 5.19 -1.98 -3.45 116.42 124.41 1k0s h ASP 116 Ca -0.21 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1k0s h ASP 116 Cb 1.16 0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1k0s h ASP 116 CO 0.27 -0.06 0.00 0.29 -3.12 0.00 0.00 179.24 176.62 1k0s n LYS 117 N -5.21 0.00 -0.03 3.56 5.02 -1.26 -4.09 118.16 116.15 1k0s n LYS 117 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1k0s n LYS 117 Cb 0.26 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.26 1k0s n LYS 117 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k0s n PHE 118 N 0.00 0.10 0.00 2.13 -0.00 -1.25 -4.36 117.46 114.09 1k0s n PHE 118 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1k0s n PHE 118 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 39.48 39.22 1k0s n PHE 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k0s n GLY 119 N 1.56 2.13 0.00 7.13 0.00 -1.26 -5.02 105.19 109.74 1k0s n GLY 119 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1k0s n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k0s n LYS 120 N 0.00 0.00 -1.14 1.61 3.00 -1.26 -5.06 118.16 115.31 1k0s n LYS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k0s n LYS 120 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1k0s n LYS 121 N 0.00 -1.93 -3.76 1.64 3.00 -1.26 -4.70 118.16 111.15 1k0s n LYS 121 Ca 0.00 1.70 -0.24 0.00 -0.00 0.00 0.00 58.31 59.77 1k0s n LYS 121 Cb 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 35.03 33.47 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1k0s n SER 122 N 0.66 -2.25 -1.99 3.14 3.41 -1.26 -4.81 113.62 110.52 1k0s n SER 122 Ca 0.00 -0.81 -0.07 0.00 -0.26 0.00 0.00 58.87 57.73 1k0s n SER 122 Cb 0.00 -4.02 -0.10 0.00 -0.26 0.00 0.00 64.21 59.83 1k0s n SER 122 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1k0s n LYS 123 N -4.41 1.40 -1.97 4.33 2.85 -1.26 -4.50 118.16 114.60 1k0s n LYS 123 Ca -0.20 -0.61 -0.34 0.00 -1.05 0.00 0.00 58.31 56.11 1k0s n LYS 123 Cb 0.63 -1.72 0.03 0.00 -0.65 0.00 0.00 35.03 33.33 1k0s n LYS 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1k0s n GLY 124 N 2.38 5.83 3.63 2.58 0.00 0.49 -3.76 105.19 116.35 1k0s n GLY 124 Ca 0.26 -2.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 1k0s n GLY 124 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k0s n LEU 125 N -0.62 2.63 -3.83 0.99 -0.00 -1.25 0.48 117.00 115.39 1k0s n LEU 125 Ca 0.50 1.16 -0.09 0.00 -0.00 0.00 0.00 56.01 57.58 1k0s n LEU 125 Cb 0.52 -1.38 -0.07 0.00 -0.00 0.00 0.00 43.42 42.50 1k0s n LEU 125 CO 0.50 -1.08 -0.04 0.54 -0.00 0.00 0.00 177.39 177.31 1k0s s VAL 126 N -1.12 0.12 -0.28 1.96 0.11 0.15 -4.73 120.40 116.62 1k0s s VAL 126 Ca 0.58 -1.11 -0.21 0.00 -2.93 0.00 0.00 61.98 58.31 1k0s s VAL 126 Cb -0.62 -1.38 0.11 0.00 -1.53 0.00 0.00 36.38 32.96 1k0s s VAL 126 CO 0.60 -0.55 0.88 -0.75 -3.33 0.00 0.00 175.10 171.95 1k0s s LYS 127 N -3.87 0.60 -0.06 1.54 2.20 -1.26 -0.25 119.74 118.64 1k0s s LYS 127 Ca 0.06 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.20 1k0s s LYS 127 Cb 0.04 0.23 0.08 0.00 -1.51 0.00 0.00 37.83 36.67 1k0s s LYS 127 CO -0.10 -0.09 0.74 0.99 -0.36 0.00 0.00 175.35 176.53 1k0s s THR 128 N 0.79 0.00 -1.32 3.43 2.01 0.13 -4.94 115.64 115.74 1k0s s THR 128 Ca -0.03 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1k0s s THR 128 Cb -0.05 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1k0s s THR 128 CO -0.09 0.00 0.82 -0.67 -0.69 0.00 0.00 174.62 173.98 1k0s n ASP 129 N 0.81 -2.11 -3.23 3.53 -0.08 -1.26 -1.11 116.55 113.10 1k0s n ASP 129 Ca -0.17 -0.77 -0.22 0.00 -1.51 0.00 0.00 54.79 52.12 1k0s n ASP 129 Cb 0.58 -4.26 0.00 0.00 2.34 0.00 0.00 41.12 39.77 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k0s n GLY 130 N -1.54 -0.49 2.86 0.27 0.00 -1.26 -4.94 105.19 100.08 1k0s n GLY 130 Ca -0.23 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.88 0.34 0.06 1.61 1.70 -0.27 -5.14 118.95 111.37 1k0s s ARG 131 Ca 0.35 -0.01 -0.20 0.00 -0.47 0.00 0.00 55.73 55.41 1k0s s ARG 131 Cb -0.18 -0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 33.69 1k0s s ARG 131 CO 0.43 -0.06 0.58 -0.51 -1.08 0.00 0.00 175.30 174.67 1k0s s LEU 132 N 0.65 4.51 -0.08 -1.89 1.02 -1.26 -0.69 118.68 120.94 1k0s s LEU 132 Ca -0.07 1.26 -0.06 0.00 0.02 0.00 0.00 54.13 55.29 1k0s s LEU 132 Cb -0.10 -2.92 0.03 0.00 0.02 0.00 0.00 46.19 43.22 1k0s s LEU 132 CO -0.01 0.24 0.20 -0.63 0.02 0.00 0.00 176.35 176.17 1k0s s ILE 133 N -0.94 -0.01 -0.13 -0.59 1.01 0.66 -2.09 121.20 119.10 1k0s s ILE 133 Ca 0.30 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.87 1k0s s ILE 133 Cb -0.19 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 1k0s s ILE 133 CO 0.19 0.02 0.31 -0.63 0.00 0.00 0.00 174.94 174.83 1k0s s ILE 134 N 0.47 5.27 0.05 2.92 1.09 0.17 0.34 121.20 131.52 1k0s s ILE 134 Ca -0.03 0.58 0.09 0.00 -1.10 0.00 0.00 60.65 60.19 1k0s s ILE 134 Cb -0.04 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.70 1k0s s ILE 134 CO -0.02 0.44 -0.26 -0.47 -0.10 0.00 0.00 174.94 174.53 1k0s s TYR 135 N 0.04 2.27 -0.17 3.97 5.04 0.18 0.10 117.35 128.78 1k0s s TYR 135 Ca 0.18 -0.41 -0.10 0.00 -2.44 0.00 0.00 57.07 54.30 1k0s s TYR 135 Cb -0.14 -1.36 0.06 0.00 0.35 0.00 0.00 41.96 40.88 1k0s s TYR 135 CO 0.06 0.13 0.42 -1.17 -1.34 0.00 0.00 175.55 173.65 1k0s s LEU 136 N -1.28 -0.04 -0.42 6.97 1.98 -0.60 -0.38 118.68 124.91 1k0s s LEU 136 Ca 0.11 0.91 0.01 0.00 -2.89 0.00 0.00 54.13 52.27 1k0s s LEU 136 Cb -0.10 1.40 0.43 0.00 0.66 0.00 0.00 46.19 48.58 1k0s s LEU 136 CO 0.02 -0.19 1.85 -0.90 -1.89 0.00 0.00 176.35 175.25 1k0s n ASP 137 N 4.01 5.26 -0.86 3.68 5.75 -1.26 -2.24 116.55 130.88 1k0s n ASP 137 Ca -0.21 -3.32 0.00 0.00 -0.01 0.00 0.00 54.79 51.24 1k0s n ASP 137 Cb 0.56 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 -0.54 0.00 0.01 2.12 3.06 -1.26 -4.75 119.36 117.99 1k0s n ILE 138 Ca 0.46 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.65 1k0s n ILE 138 Cb 1.02 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 41.16 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 -0.11 0.89 9.51 3.58 -1.99 -2.67 116.42 125.62 1k0s h ASP 139 Ca 0.00 -0.25 -0.15 0.00 0.42 0.00 0.00 57.03 57.05 1k0s h ASP 139 Cb 0.00 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1k0s h ASP 139 CO 0.00 0.48 -0.72 0.11 -2.88 0.00 0.00 179.24 176.23 1k0s h LYS 140 N -1.00 0.00 -0.13 0.28 1.79 -1.99 -2.57 116.57 112.95 1k0s h LYS 140 Ca -0.01 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1k0s h LYS 140 Cb 0.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1k0s h LYS 140 CO 0.02 0.72 -0.20 0.97 -1.08 0.00 0.00 179.45 179.88 1k0s h ILE 141 N 0.00 1.37 -0.13 1.86 -0.00 -1.95 -2.32 117.51 116.34 1k0s h ILE 141 Ca -0.01 -1.43 -0.03 0.00 -0.00 0.00 0.00 64.86 63.40 1k0s h ILE 141 Cb 1.36 1.99 -0.00 0.00 -0.00 0.00 0.00 36.82 40.16 1k0s h ILE 141 CO 0.09 0.42 -0.03 -0.29 -0.00 0.00 0.00 178.15 178.34 1k0s h ILE 142 N -0.04 1.29 -0.87 2.19 6.09 -1.52 0.29 117.51 124.93 1k0s h ILE 142 Ca 0.01 -0.96 0.18 0.00 -1.37 0.00 0.00 64.86 62.72 1k0s h ILE 142 Cb 0.76 1.67 -0.11 0.00 0.47 0.00 0.00 36.82 39.61 1k0s h ILE 142 CO 0.05 0.28 0.42 -0.33 -3.07 0.00 0.00 178.15 175.50 1k0s h GLU 143 N -0.06 0.51 0.00 2.19 5.08 -1.52 0.58 114.58 121.36 1k0s h GLU 143 Ca 0.03 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1k0s h GLU 143 Cb 0.44 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1k0s h GLU 143 CO 0.01 0.34 -0.55 0.93 -1.00 0.00 0.00 179.01 178.74 1k0s h GLU 144 N 0.53 0.00 -0.77 2.33 4.39 -1.19 -2.31 114.58 117.56 1k0s h GLU 144 Ca 0.51 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.29 1k0s h GLU 144 Cb 0.84 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.42 1k0s h GLU 144 CO -0.43 0.55 0.42 0.82 -1.16 0.00 0.00 179.01 179.21 1k0s h ILE 145 N 0.00 0.91 0.00 3.13 2.04 0.40 0.74 117.51 124.73 1k0s h ILE 145 Ca -0.01 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1k0s h ILE 145 Cb 1.18 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1k0s h ILE 145 CO 0.07 0.13 -0.69 0.71 0.00 0.00 0.00 178.15 178.38 1k0s h THR 146 N 0.73 0.92 -0.17 -0.27 1.35 -1.45 -3.38 112.91 110.65 1k0s h THR 146 Ca 0.37 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1k0s h THR 146 Cb 0.32 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1k0s h THR 146 CO -0.24 0.31 0.00 0.55 -0.25 0.00 0.00 175.52 175.89 1k0s n VAL 147 N -4.54 0.38 -0.40 6.82 3.14 -0.87 -4.52 118.33 118.34 1k0s n VAL 147 Ca -0.19 -0.27 -0.05 0.00 -2.96 0.00 0.00 64.34 60.86 1k0s n VAL 147 Cb 0.50 -0.06 -0.02 0.00 -1.06 0.00 0.00 33.84 33.19 1k0s n VAL 147 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1k0s h LYS 148 N 1.02 -0.00 0.00 1.45 1.63 0.34 -3.44 116.57 117.57 1k0s h LYS 148 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1k0s h LYS 148 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1k0s h LYS 148 CO 0.04 -0.00 0.00 -1.91 -3.45 0.00 0.00 179.45 174.13 1k0s n GLU 149 N -5.37 0.00 -0.05 1.90 4.07 -1.26 -5.06 120.64 114.86 1k0s n GLU 149 Ca 0.07 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.04 1k0s n GLU 149 Cb 0.34 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.65 1k0s n GLU 149 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1k0s h GLY 150 N 0.00 0.34 0.00 8.31 0.00 -1.92 -3.45 103.07 106.35 1k0s h GLY 150 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1k0s h GLY 150 CO 0.00 0.27 0.00 1.55 0.00 0.00 0.00 176.54 178.36