#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 s SER 2 N 0.00 -0.41 0.16 1.61 0.15 -1.26 -5.19 113.70 108.76 1x64 s SER 2 Ca 0.00 0.20 -0.18 0.00 0.70 0.00 0.00 55.95 56.68 1x64 s SER 2 Cb 0.00 0.39 0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1x64 s SER 2 CO 0.00 -0.55 0.48 -0.94 1.20 0.00 0.00 173.24 173.43 1x64 s SER 3 N -1.92 -0.30 0.00 5.45 1.04 -1.26 -5.17 113.70 111.54 1x64 s SER 3 Ca 0.01 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1x64 s SER 3 Cb -0.01 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1x64 s SER 3 CO -0.04 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1x64 n GLY 4 N -0.29 4.89 3.51 7.32 0.00 -1.26 -5.18 105.19 114.18 1x64 n GLY 4 Ca -0.14 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1x64 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x64 s SER 5 N 0.00 -0.46 0.15 1.61 1.04 -1.26 -5.19 113.70 109.59 1x64 s SER 5 Ca 0.00 0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 1x64 s SER 5 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1x64 s SER 5 CO 0.00 -0.62 0.15 -0.44 0.98 0.00 0.00 173.24 173.31 1x64 s SER 6 N -1.97 0.20 0.00 7.02 0.01 -1.26 -5.11 113.70 112.59 1x64 s SER 6 Ca -0.00 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1x64 s SER 6 Cb -0.01 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1x64 s SER 6 CO -0.04 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1x64 n GLY 7 N -0.15 1.05 2.68 3.44 0.00 -1.26 -5.15 105.19 105.80 1x64 n GLY 7 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1x64 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x64 s VAL 8 N 0.00 -0.25 0.12 1.61 1.01 -1.26 -5.14 120.40 116.49 1x64 s VAL 8 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1x64 s VAL 8 Cb 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1x64 s VAL 8 CO 0.00 -0.43 -0.03 -0.60 0.00 0.00 0.00 175.10 174.05 1x64 s ARG 9 N 2.25 2.38 -0.22 2.72 6.06 -1.26 -5.11 118.95 125.77 1x64 s ARG 9 Ca 0.07 -0.97 0.01 0.00 -2.50 0.00 0.00 55.73 52.34 1x64 s ARG 9 Cb -0.15 -2.42 0.05 0.00 0.06 0.00 0.00 34.95 32.49 1x64 s ARG 9 CO -0.24 0.51 -0.07 0.00 -2.50 0.00 0.00 175.30 172.99 1x64 s ALA 10 N -1.40 1.98 0.27 6.12 0.00 -1.26 -5.12 121.76 122.35 1x64 s ALA 10 Ca 0.25 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1x64 s ALA 10 Cb -0.11 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 1x64 s ALA 10 CO 0.17 -1.04 1.26 -1.25 0.00 0.00 0.00 175.76 174.90 1x64 s PRO 11 N 1.39 4.44 -0.15 0.00 0.04 -1.26 -5.04 135.00 134.42 1x64 s PRO 11 Ca -0.04 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 1x64 s PRO 11 Cb -0.18 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1x64 s PRO 11 CO -0.07 -0.12 0.50 0.54 0.04 0.00 0.00 177.00 177.90 1x64 s VAL 12 N -0.64 0.01 -0.03 -0.36 0.11 -1.26 -5.16 120.40 113.06 1x64 s VAL 12 Ca 0.51 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.49 1x64 s VAL 12 Cb -0.37 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1x64 s VAL 12 CO 0.44 -0.03 0.06 0.42 -3.33 0.00 0.00 175.10 172.66 1x64 s THR 13 N -0.09 -0.04 -0.12 5.04 -4.23 -1.26 -5.15 115.64 109.80 1x64 s THR 13 Ca -0.03 0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1x64 s THR 13 Cb -0.03 -0.11 0.05 0.00 1.34 0.00 0.00 72.50 73.74 1x64 s THR 13 CO 0.02 0.06 0.28 -1.59 -0.54 0.00 0.00 174.62 172.85 1x64 s LYS 14 N 0.79 0.25 0.01 3.99 -2.85 -1.26 -5.16 119.74 115.51 1x64 s LYS 14 Ca -0.06 0.56 0.04 0.00 -1.00 0.00 0.00 55.97 55.51 1x64 s LYS 14 Cb -0.09 -0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 35.59 1x64 s LYS 14 CO -0.03 -0.15 -0.13 0.54 0.10 0.00 0.00 175.35 175.68 1x64 s VAL 15 N 1.18 1.01 -0.22 1.79 0.11 -1.26 -5.14 120.40 117.88 1x64 s VAL 15 Ca -0.08 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.21 1x64 s VAL 15 Cb -0.09 -0.87 0.09 0.00 -1.53 0.00 0.00 36.38 33.98 1x64 s VAL 15 CO -0.08 0.19 0.48 -1.38 -3.33 0.00 0.00 175.10 170.97 1x64 s HIS 16 N -0.47 -0.89 0.00 1.54 -3.43 -1.26 -5.16 115.29 105.63 1x64 s HIS 16 Ca 0.04 1.68 0.00 0.00 -0.80 0.00 0.00 55.06 55.98 1x64 s HIS 16 Cb -0.06 0.42 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1x64 s HIS 16 CO 0.00 -0.50 0.00 0.41 -2.00 0.00 0.00 174.74 172.65 1x64 n GLY 17 N 5.16 3.77 0.00 -1.38 0.00 -1.26 -5.19 105.19 106.30 1x64 n GLY 17 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1x64 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x64 n GLY 18 N 0.00 4.14 3.85 -0.02 0.00 -1.26 -5.18 105.19 106.72 1x64 n GLY 18 Ca 0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 19 N -2.18 -1.57 -0.28 4.61 0.00 -1.26 -5.13 121.76 115.94 1x64 s ALA 19 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 1x64 s ALA 19 Cb 0.00 0.73 0.13 0.00 0.00 0.00 0.00 23.12 23.98 1x64 s ALA 19 CO 0.00 -1.06 0.27 0.20 0.00 0.00 0.00 175.76 175.17 1x64 s GLY 20 N -3.30 -0.06 -0.19 0.00 0.00 -1.26 -4.99 107.32 97.53 1x64 s GLY 20 Ca 0.20 -0.37 0.05 0.00 0.00 0.00 0.00 44.72 44.59 1x64 s GLY 20 CO 0.05 2.55 -0.12 -1.14 0.00 0.00 0.00 173.10 174.44 1x64 n SER 21 N 5.30 2.13 -2.39 1.64 3.41 -1.26 -5.03 113.62 117.43 1x64 n SER 21 Ca -0.03 -0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 1x64 n SER 21 Cb 0.46 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 1x64 n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x64 n ALA 22 N -2.95 -0.82 -2.27 7.33 0.00 -1.26 -5.03 120.51 115.51 1x64 n ALA 22 Ca -0.33 0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 1x64 n ALA 22 Cb 0.91 -3.43 -0.10 0.00 0.00 0.00 0.00 19.45 16.82 1x64 n ALA 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1x64 s GLN 23 N -5.73 1.26 -0.15 0.00 2.00 -1.26 -5.04 119.66 110.74 1x64 s GLN 23 Ca 0.33 -1.65 0.13 0.00 -2.00 0.00 0.00 55.36 52.17 1x64 s GLN 23 Cb -0.15 -0.16 0.63 0.00 0.80 0.00 0.00 33.01 34.13 1x64 s GLN 23 CO 0.44 -0.25 1.48 -2.13 -0.50 0.00 0.00 175.29 174.33 1x64 n ARG 24 N -0.35 3.73 -1.70 1.67 0.63 -1.26 -4.97 116.66 114.41 1x64 n ARG 24 Ca -0.02 -2.42 -0.34 0.00 -0.92 0.00 0.00 57.85 54.15 1x64 n ARG 24 Cb 0.65 -1.97 0.06 0.00 0.45 0.00 0.00 32.46 31.65 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x64 s MET 25 N -2.14 2.61 0.45 -0.14 0.23 -1.26 -4.99 119.30 114.06 1x64 s MET 25 Ca 0.43 1.60 -0.23 0.00 -1.03 0.00 0.00 55.69 56.45 1x64 s MET 25 Cb 0.30 -1.91 -0.07 0.00 -1.53 0.00 0.00 34.83 31.62 1x64 s MET 25 CO 0.16 -1.44 1.17 -1.25 -2.03 0.00 0.00 175.02 171.62 1x64 s PRO 26 N -3.87 3.78 -0.24 3.16 0.04 -1.26 -4.85 135.00 131.76 1x64 s PRO 26 Ca 0.71 1.78 -0.08 0.00 0.04 0.00 0.00 61.00 63.45 1x64 s PRO 26 Cb -0.25 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1x64 s PRO 26 CO 0.41 -0.53 0.10 -1.17 0.04 0.00 0.00 177.00 175.85 1x64 s LEU 27 N -2.98 3.72 -0.11 -3.56 1.98 -1.26 -2.56 118.68 113.90 1x64 s LEU 27 Ca 0.63 -0.07 -0.36 0.00 -2.89 0.00 0.00 54.13 51.44 1x64 s LEU 27 Cb -0.29 -1.99 -0.14 0.00 0.66 0.00 0.00 46.19 44.43 1x64 s LEU 27 CO 0.35 0.02 1.76 0.00 -1.89 0.00 0.00 176.35 176.59 1x64 n ASP 29 N 5.54 0.06 -0.10 0.00 8.00 -1.21 -0.11 116.55 128.74 1x64 n ASP 29 Ca 0.23 -1.27 -0.14 0.00 0.71 0.00 0.00 54.79 54.32 1x64 n ASP 29 Cb 0.23 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.28 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x64 n LYS 30 N -0.83 0.54 -0.24 -1.24 3.00 -1.26 -4.65 118.16 113.47 1x64 n LYS 30 Ca 0.18 0.29 0.06 0.00 -0.00 0.00 0.00 58.31 58.84 1x64 n LYS 30 Cb 0.09 -1.50 0.17 0.00 0.00 0.00 0.00 35.03 33.79 1x64 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x64 n GLY 32 N -0.05 -0.13 3.05 0.00 0.00 0.85 -4.92 105.19 104.00 1x64 n GLY 32 Ca 0.14 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x64 s SER 33 N -4.24 2.50 0.20 1.61 0.01 -1.24 -4.86 113.70 107.68 1x64 s SER 33 Ca 0.05 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 1x64 s SER 33 Cb -0.03 -1.11 -0.11 0.00 0.21 0.00 0.00 66.02 64.98 1x64 s SER 33 CO 0.94 0.00 0.18 0.61 0.41 0.00 0.00 173.24 175.39 1x64 n GLY 34 N 4.32 -1.49 3.24 3.44 0.00 -1.26 -3.38 105.19 110.05 1x64 n GLY 34 Ca -0.19 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1x64 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x64 s ILE 35 N -0.89 2.75 -0.18 -0.61 1.01 -1.06 -4.82 121.20 117.40 1x64 s ILE 35 Ca 0.40 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1x64 s ILE 35 Cb -0.50 -2.20 0.09 0.00 0.01 0.00 0.00 42.46 39.86 1x64 s ILE 35 CO 0.39 0.49 0.28 -0.69 0.00 0.00 0.00 174.94 175.41 1x64 s VAL 36 N 1.17 -0.44 0.00 2.92 1.01 -1.26 -4.52 120.40 119.28 1x64 s VAL 36 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1x64 s VAL 36 Cb -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1x64 s VAL 36 CO -0.05 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1x64 n GLY 37 N 5.35 3.09 3.02 4.51 0.00 -1.26 -5.02 105.19 114.88 1x64 n GLY 37 Ca -0.06 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1x64 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 38 N 0.00 -0.51 0.15 4.61 0.00 -1.26 -5.16 121.76 119.58 1x64 s ALA 38 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.91 1x64 s ALA 38 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1x64 s ALA 38 CO 0.00 -0.30 -0.00 0.54 0.00 0.00 0.00 175.76 176.00 1x64 s VAL 39 N 1.53 0.57 -0.28 0.00 0.11 -1.26 -4.22 120.40 116.85 1x64 s VAL 39 Ca -0.07 -1.95 -0.02 0.00 -2.93 0.00 0.00 61.98 57.01 1x64 s VAL 39 Cb -0.11 -2.01 0.09 0.00 -1.53 0.00 0.00 36.38 32.83 1x64 s VAL 39 CO -0.08 -0.56 0.10 -0.69 -3.33 0.00 0.00 175.10 170.53 1x64 s VAL 40 N -3.73 0.50 -0.21 2.04 1.01 0.41 -4.78 120.40 115.65 1x64 s VAL 40 Ca 0.21 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1x64 s VAL 40 Cb 0.06 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1x64 s VAL 40 CO 0.02 -0.60 -0.03 -0.75 0.00 0.00 0.00 175.10 173.74 1x64 s LYS 41 N 1.82 3.49 0.00 2.72 2.20 -1.26 0.52 119.74 129.22 1x64 s LYS 41 Ca 0.07 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 1x64 s LYS 41 Cb -0.17 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1x64 s LYS 41 CO -0.25 -0.07 0.00 0.00 -0.36 0.00 0.00 175.35 174.66 1x64 n ALA 42 N 4.46 0.00 -1.13 3.13 0.00 -1.18 -4.96 120.51 120.83 1x64 n ALA 42 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1x64 n ALA 42 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1x64 n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x64 n ARG 43 N -0.59 0.00 -0.00 0.00 1.74 -1.26 -4.94 116.66 111.62 1x64 n ARG 43 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1x64 n ARG 43 Cb 0.00 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 1x64 n ARG 43 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1x64 n ASP 44 N -1.19 4.50 -4.93 0.55 2.03 -1.26 -5.05 116.55 111.20 1x64 n ASP 44 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1x64 n ASP 44 Cb 0.00 1.07 0.03 0.00 -0.72 0.00 0.00 41.12 41.50 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x64 s LYS 45 N -2.15 2.92 0.06 -0.67 1.02 -1.26 -5.11 119.74 114.55 1x64 s LYS 45 Ca -0.01 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 55.90 1x64 s LYS 45 Cb 0.01 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1x64 s LYS 45 CO 0.09 -0.63 -0.17 0.71 -0.92 0.00 0.00 175.35 174.44 1x64 s TYR 46 N -2.90 1.44 -0.06 3.18 1.51 -1.26 -3.08 117.35 116.17 1x64 s TYR 46 Ca 0.53 -0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 56.09 1x64 s TYR 46 Cb -0.10 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1x64 s TYR 46 CO 0.43 0.09 0.26 1.03 -1.11 0.00 0.00 175.55 176.25 1x64 s ARG 47 N -1.49 0.42 1.00 -0.62 1.81 0.18 -3.32 118.95 116.95 1x64 s ARG 47 Ca 0.03 0.12 -0.13 0.00 -1.72 0.00 0.00 55.73 54.03 1x64 s ARG 47 Cb -0.09 0.19 0.11 0.00 -0.45 0.00 0.00 34.95 34.71 1x64 s ARG 47 CO 0.02 -0.08 0.57 0.72 -0.68 0.00 0.00 175.30 175.85 1x64 n HIS 48 N 2.32 -0.91 0.46 -0.53 8.25 -1.26 0.15 115.22 123.70 1x64 n HIS 48 Ca -0.16 0.21 0.08 0.00 -0.26 0.00 0.00 57.72 57.59 1x64 n HIS 48 Cb 0.57 -1.78 0.36 0.00 1.12 0.00 0.00 29.99 30.26 1x64 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x64 n PRO 49 N -2.73 0.06 -0.01 -0.41 -0.04 -1.26 -2.32 135.00 128.28 1x64 n PRO 49 Ca 0.06 0.31 -0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1x64 n PRO 49 Cb 0.55 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1x64 n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x64 n GLU 50 N -1.72 2.74 0.05 0.54 0.28 -1.26 -4.66 120.64 116.61 1x64 n GLU 50 Ca 0.03 -0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.96 1x64 n GLU 50 Cb 0.18 -1.05 0.11 0.00 1.43 0.00 0.00 31.44 32.11 1x64 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x64 n PHE 52 N -3.94 1.24 -3.84 0.00 7.35 -0.98 -4.84 117.46 112.45 1x64 n PHE 52 Ca -0.02 0.20 -0.08 0.00 -0.76 0.00 0.00 57.45 56.79 1x64 n PHE 52 Cb 0.58 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1x64 n PHE 52 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x64 s VAL 53 N 10.45 0.00 1.02 -2.13 -7.23 -1.26 -3.25 120.40 118.01 1x64 s VAL 53 Ca 1.10 -1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 1x64 s VAL 53 Cb -0.58 -2.44 0.20 0.00 0.56 0.00 0.00 36.38 34.12 1x64 s VAL 53 CO 0.36 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.23 1x64 n ALA 55 N -4.31 3.84 -0.10 0.00 0.00 -1.17 -2.89 120.51 115.87 1x64 n ALA 55 Ca 0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 52.92 1x64 n ALA 55 Cb 0.56 -0.55 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 1x64 n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x64 n ASP 56 N -1.43 2.39 -0.00 0.00 2.03 -1.26 -4.72 116.55 113.56 1x64 n ASP 56 Ca 0.02 -0.08 0.02 0.00 0.52 0.00 0.00 54.79 55.27 1x64 n ASP 56 Cb 0.25 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x64 n ASN 58 N -1.41 -4.65 -4.86 0.00 5.15 -1.14 -4.89 115.26 103.46 1x64 n ASN 58 Ca -0.00 -0.44 -0.33 0.00 -0.60 0.00 0.00 54.58 53.21 1x64 n ASN 58 Cb 0.08 -4.10 -0.06 0.00 -0.53 0.00 0.00 39.78 35.18 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x64 s LEU 59 N -5.85 4.16 -0.12 1.20 2.96 -1.26 -4.40 118.68 115.37 1x64 s LEU 59 Ca 0.35 1.10 -0.29 0.00 -0.22 0.00 0.00 54.13 55.08 1x64 s LEU 59 Cb -0.16 -3.79 -0.06 0.00 0.50 0.00 0.00 46.19 42.68 1x64 s LEU 59 CO 0.58 -0.10 2.10 0.20 -1.32 0.00 0.00 176.35 177.80 1x64 s ASN 60 N -2.22 5.88 0.03 3.68 -0.87 -1.26 -0.76 114.94 119.43 1x64 s ASN 60 Ca 0.49 2.19 0.22 0.00 -1.57 0.00 0.00 52.86 54.19 1x64 s ASN 60 Cb -0.12 -2.52 -0.15 0.00 -0.02 0.00 0.00 41.25 38.45 1x64 s ASN 60 CO 0.19 -1.57 0.80 0.18 -2.57 0.00 0.00 177.10 174.13 1x64 n LEU 61 N 9.92 0.47 -0.24 0.60 4.77 -1.20 -4.04 117.00 127.27 1x64 n LEU 61 Ca 0.25 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1x64 n LEU 61 Cb 0.43 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1x64 n LEU 61 CO 0.67 0.03 0.36 1.17 -1.33 0.00 0.00 177.39 178.29 1x64 n LYS 62 N -2.08 -0.25 0.01 3.23 3.00 -1.26 -2.13 118.16 118.67 1x64 n LYS 62 Ca -0.00 1.04 -0.22 0.00 -0.00 0.00 0.00 58.31 59.13 1x64 n LYS 62 Cb 0.48 -1.54 -0.14 0.00 0.00 0.00 0.00 35.03 33.84 1x64 n LYS 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1x64 h GLN 63 N 0.00 0.25 -6.92 1.64 3.07 -1.97 -3.47 115.11 107.70 1x64 h GLN 63 Ca 0.09 -0.43 -0.53 0.00 0.09 0.00 0.00 58.65 57.87 1x64 h GLN 63 Cb 0.24 0.16 0.09 0.00 0.08 0.00 0.00 27.48 28.04 1x64 h GLN 63 CO -0.54 1.20 0.70 0.15 0.09 0.00 0.00 178.83 180.43 1x64 s LYS 64 N -2.51 4.15 -0.41 0.06 1.02 -0.91 -4.83 119.74 116.32 1x64 s LYS 64 Ca -0.21 2.37 -0.36 0.00 0.02 0.00 0.00 55.97 57.79 1x64 s LYS 64 Cb 0.05 -2.96 -0.13 0.00 -0.52 0.00 0.00 37.83 34.28 1x64 s LYS 64 CO 0.76 -0.41 2.22 0.41 -0.92 0.00 0.00 175.35 177.41 1x64 n GLY 65 N 0.63 0.34 3.84 -3.33 0.00 -1.26 -4.64 105.19 100.76 1x64 n GLY 65 Ca 0.01 0.96 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 1x64 n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x64 s TYR 66 N 7.44 3.15 0.27 1.61 -0.85 -1.26 -3.31 117.35 124.41 1x64 s TYR 66 Ca 1.12 1.21 0.04 0.00 -0.52 0.00 0.00 57.07 58.92 1x64 s TYR 66 Cb -0.94 -2.99 -0.03 0.00 0.38 0.00 0.00 41.96 38.38 1x64 s TYR 66 CO 0.50 -1.32 0.22 -0.06 -1.52 0.00 0.00 175.55 173.37 1x64 s PHE 67 N -3.19 1.50 -0.27 -3.49 0.40 -0.98 -4.93 117.98 107.03 1x64 s PHE 67 Ca 0.59 -1.54 -0.02 0.00 -0.60 0.00 0.00 56.93 55.36 1x64 s PHE 67 Cb -0.13 -0.65 0.12 0.00 0.51 0.00 0.00 43.02 42.88 1x64 s PHE 67 CO 0.54 -0.78 0.26 -0.06 0.70 0.00 0.00 175.22 175.89 1x64 s PHE 68 N -3.75 -0.35 -0.13 0.36 0.08 -1.26 -3.54 117.98 109.41 1x64 s PHE 68 Ca 0.40 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.30 1x64 s PHE 68 Cb 0.04 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 42.02 1x64 s PHE 68 CO 0.21 -0.85 -0.15 0.08 -0.10 0.00 0.00 175.22 174.41 1x64 s VAL 69 N 2.33 1.57 -1.39 -0.44 1.01 0.13 -4.77 120.40 118.84 1x64 s VAL 69 Ca 0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1x64 s VAL 69 Cb -0.14 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1x64 s VAL 69 CO -0.29 0.46 0.75 -0.62 0.00 0.00 0.00 175.10 175.39 1x64 n GLU 70 N 4.39 -4.87 -3.05 2.72 1.02 -1.26 -1.15 120.64 118.45 1x64 n GLU 70 Ca -0.18 0.58 -0.22 0.00 -0.02 0.00 0.00 57.16 57.32 1x64 n GLU 70 Cb 0.51 -5.19 0.04 0.00 -0.02 0.00 0.00 31.44 26.78 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x64 n GLY 71 N -1.65 -0.51 3.08 0.62 0.00 -1.26 -4.99 105.19 100.48 1x64 n GLY 71 Ca -0.20 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1x64 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x64 s GLU 72 N -5.73 0.43 0.30 1.61 2.12 -0.30 -5.15 118.70 111.97 1x64 s GLU 72 Ca 0.32 -0.37 -0.10 0.00 0.36 0.00 0.00 54.97 55.19 1x64 s GLU 72 Cb -0.14 0.18 -0.07 0.00 0.26 0.00 0.00 34.13 34.36 1x64 s GLU 72 CO 0.39 -0.10 0.63 -0.51 -0.54 0.00 0.00 175.26 175.14 1x64 s LEU 73 N -1.24 4.05 0.18 2.70 1.43 -1.26 0.17 118.68 124.71 1x64 s LEU 73 Ca -0.13 0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 1x64 s LEU 73 Cb -0.07 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.39 1x64 s LEU 73 CO 0.01 -0.19 0.51 -0.31 0.23 0.00 0.00 176.35 176.60 1x64 s TYR 74 N -2.02 -0.17 0.53 0.29 2.02 -1.23 -3.05 117.35 113.72 1x64 s TYR 74 Ca 0.49 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.96 1x64 s TYR 74 Cb -0.11 0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 41.81 1x64 s TYR 74 CO 0.24 -0.88 0.87 0.00 -1.57 0.00 0.00 175.55 174.21 1x64 h GLU 76 N 0.03 0.51 0.00 0.00 4.81 -1.91 0.67 114.58 118.69 1x64 h GLU 76 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1x64 h GLU 76 Cb 1.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1x64 h GLU 76 CO 0.62 0.34 0.00 2.41 -0.73 0.00 0.00 179.01 181.64 1x64 n THR 77 N -4.92 0.00 0.23 0.32 -1.04 -1.26 -1.40 114.28 106.21 1x64 n THR 77 Ca 0.28 1.35 -0.16 0.00 -2.04 0.00 0.00 64.05 63.48 1x64 n THR 77 Cb 0.79 -2.34 -0.08 0.00 -1.82 0.00 0.00 70.33 66.88 1x64 n THR 77 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 1x64 h HIS 78 N 0.00 -0.98 -0.71 -1.42 3.86 -1.86 -2.66 115.15 111.37 1x64 h HIS 78 Ca 0.00 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1x64 h HIS 78 Cb 0.00 0.38 -0.11 0.00 1.06 0.00 0.00 27.41 28.74 1x64 h HIS 78 CO 0.19 -0.51 -0.48 0.00 0.86 0.00 0.00 177.93 177.99 1x64 h ALA 79 N -0.32 -0.37 -0.89 2.45 0.00 0.22 0.31 119.26 120.66 1x64 h ALA 79 Ca -0.03 0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.22 1x64 h ALA 79 Cb 0.68 1.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.43 1x64 h ALA 79 CO -0.06 -0.86 0.39 0.00 0.00 0.00 0.00 179.25 178.72 1x64 h ARG 80 N -0.17 0.38 -0.77 0.00 3.08 -1.06 0.30 114.38 116.15 1x64 h ARG 80 Ca 0.19 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1x64 h ARG 80 Cb 0.54 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1x64 h ARG 80 CO -0.78 0.25 0.38 0.00 -1.07 0.00 0.00 179.97 178.76 1x64 h ALA 81 N 1.71 0.99 0.40 0.04 0.00 -0.08 0.73 119.26 123.05 1x64 h ALA 81 Ca 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1x64 h ALA 81 Cb 1.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1x64 h ALA 81 CO -0.53 0.54 -0.19 0.00 0.00 0.00 0.00 179.25 179.06 1x64 h ARG 82 N 1.07 -0.52 -0.64 0.00 3.08 0.56 -3.21 114.38 114.73 1x64 h ARG 82 Ca 0.27 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1x64 h ARG 82 Cb 0.09 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1x64 h ARG 82 CO -0.04 -0.35 0.00 -2.37 -1.07 0.00 0.00 179.97 176.15 1x64 n THR 83 N -4.88 0.11 -0.25 2.04 5.66 0.68 -4.41 114.28 113.22 1x64 n THR 83 Ca -0.07 -0.06 0.09 0.00 -3.05 0.00 0.00 64.05 60.96 1x64 n THR 83 Cb 0.21 -0.30 0.18 0.00 -1.55 0.00 0.00 70.33 68.87 1x64 n THR 83 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1x64 n SER 84 N -0.12 -0.14 -4.17 1.09 3.41 0.26 -2.10 113.62 111.85 1x64 n SER 84 Ca 0.01 1.23 -0.39 0.00 -0.26 0.00 0.00 58.87 59.47 1x64 n SER 84 Cb 0.20 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 1x64 n SER 84 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x64 s GLY 85 N -4.17 2.93 0.59 5.00 0.00 -1.26 -5.04 107.32 105.38 1x64 s GLY 85 Ca -0.10 -3.66 -0.17 0.00 0.00 0.00 0.00 44.72 40.79 1x64 s GLY 85 CO 0.56 1.20 1.12 2.56 0.00 0.00 0.00 173.10 178.55 1x64 s PRO 86 N -0.89 3.12 -0.01 2.90 0.04 -0.89 -5.01 135.00 134.25 1x64 s PRO 86 Ca 0.25 1.51 -0.23 0.00 0.04 0.00 0.00 61.00 62.57 1x64 s PRO 86 Cb -0.11 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1x64 s PRO 86 CO -0.09 -1.02 0.69 0.45 0.04 0.00 0.00 177.00 177.07 1x64 s SER 87 N -2.13 7.06 0.02 6.66 0.15 -1.26 -5.06 113.70 119.15 1x64 s SER 87 Ca 0.70 1.27 -0.10 0.00 0.70 0.00 0.00 55.95 58.53 1x64 s SER 87 Cb -0.22 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1x64 s SER 87 CO 0.33 -0.00 0.34 -0.55 1.20 0.00 0.00 173.24 174.56 1x64 s SER 88 N 0.20 6.61 0.00 5.45 0.15 -1.26 -5.29 113.70 119.56 1x64 s SER 88 Ca 0.36 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.74 1x64 s SER 88 Cb -0.19 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1x64 s SER 88 CO 0.20 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.50