#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dro n SER 2 N 0.00 0.14 -0.20 1.61 7.64 -1.26 -5.11 113.62 116.44 1dro n SER 2 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1dro n SER 2 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1dro n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dro n GLY 3 N 2.64 5.05 3.85 0.23 0.00 -1.26 -5.12 105.19 110.57 1dro n GLY 3 Ca 0.00 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1dro n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dro s THR 4 N 1.28 4.64 0.00 2.61 2.01 -1.26 -5.08 115.64 119.84 1dro s THR 4 Ca 0.00 0.99 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1dro s THR 4 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1dro s THR 4 CO 0.00 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.21 1dro n GLY 5 N -0.72 1.05 0.00 4.40 0.00 -1.26 -5.04 105.19 103.61 1dro n GLY 5 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1dro n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dro n ALA 6 N -3.00 0.00 -1.66 4.61 0.00 -1.26 -4.97 120.51 114.24 1dro n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dro n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1dro n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dro n GLY 7 N 1.39 1.17 2.87 0.00 0.00 -1.26 -5.06 105.19 104.30 1dro n GLY 7 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1dro n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dro s GLU 8 N 3.01 1.53 0.00 1.61 0.41 -1.26 -5.06 118.70 118.93 1dro s GLU 8 Ca 0.00 -2.12 0.00 0.00 -0.41 0.00 0.00 54.97 52.44 1dro s GLU 8 Cb 0.00 -2.85 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1dro s GLU 8 CO 0.00 -1.08 0.00 0.41 -0.49 0.00 0.00 175.26 174.10 1dro n GLY 9 N 3.65 -0.79 3.79 -1.39 0.00 -1.26 -3.81 105.19 105.38 1dro n GLY 9 Ca 0.05 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 1dro n GLY 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dro s HIS 10 N -3.00 3.28 -0.03 1.61 2.46 -1.08 -4.92 115.29 113.61 1dro s HIS 10 Ca 0.00 0.17 -0.01 0.00 0.47 0.00 0.00 55.06 55.69 1dro s HIS 10 Cb 0.00 -1.70 0.03 0.00 -0.13 0.00 0.00 32.58 30.78 1dro s HIS 10 CO 0.00 0.55 0.05 -1.83 -2.47 0.00 0.00 174.74 171.04 1dro s GLU 11 N -2.04 -0.04 0.11 2.88 -1.05 -1.26 -2.68 118.70 114.62 1dro s GLU 11 Ca 0.26 0.29 -0.25 0.00 -0.15 0.00 0.00 54.97 55.12 1dro s GLU 11 Cb -0.12 -0.34 0.07 0.00 -0.44 0.00 0.00 34.13 33.29 1dro s GLU 11 CO 0.18 -0.24 0.63 0.20 0.95 0.00 0.00 175.26 176.98 1dro s GLY 12 N 1.55 -0.60 -0.75 -3.83 0.00 -1.02 -5.02 107.32 97.65 1dro s GLY 12 Ca -0.03 0.70 -0.26 0.00 0.00 0.00 0.00 44.72 45.13 1dro s GLY 12 CO -0.03 0.35 1.70 -2.52 0.00 0.00 0.00 173.10 172.60 1dro s TYR 13 N -3.13 1.93 0.23 1.90 -0.85 -1.26 -2.60 117.35 113.57 1dro s TYR 13 Ca -0.02 0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.95 1dro s TYR 13 Cb -0.01 -4.27 -0.01 0.00 0.38 0.00 0.00 41.96 38.05 1dro s TYR 13 CO -0.08 -2.10 0.11 1.33 -1.52 0.00 0.00 175.55 173.29 1dro n VAL 14 N 7.12 0.00 -3.63 -3.49 0.24 -0.67 -4.87 118.33 113.04 1dro n VAL 14 Ca 0.22 -1.42 -0.38 0.00 -2.04 0.00 0.00 64.34 60.72 1dro n VAL 14 Cb 0.50 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.37 1dro n VAL 14 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1dro s THR 15 N -2.55 4.29 0.30 3.34 2.01 -0.94 -1.87 115.64 120.21 1dro s THR 15 Ca 0.15 -3.30 0.07 0.00 0.31 0.00 0.00 61.69 58.92 1dro s THR 15 Cb 0.01 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1dro s THR 15 CO 0.11 -0.99 0.29 -0.60 -0.69 0.00 0.00 174.62 172.74 1dro s ARG 16 N -0.62 2.93 -0.47 4.92 3.52 -0.63 -2.09 118.95 126.50 1dro s ARG 16 Ca 0.22 -1.11 0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1dro s ARG 16 Cb -0.13 -2.60 0.13 0.00 -1.56 0.00 0.00 34.95 30.79 1dro s ARG 16 CO -0.08 0.23 0.25 0.21 -0.81 0.00 0.00 175.30 175.10 1dro s LYS 17 N -3.97 1.56 1.03 5.12 2.36 -1.04 -1.92 119.74 122.89 1dro s LYS 17 Ca 0.38 -2.26 -0.17 0.00 -2.55 0.00 0.00 55.97 51.37 1dro s LYS 17 Cb -0.07 -2.72 0.27 0.00 -1.05 0.00 0.00 37.83 34.26 1dro s LYS 17 CO 0.27 -1.15 0.63 -2.39 1.55 0.00 0.00 175.35 174.26 1dro n HIS 18 N 3.35 -3.31 0.00 4.03 1.44 -1.26 -2.63 115.22 116.84 1dro n HIS 18 Ca 0.08 -0.59 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 1dro n HIS 18 Cb 0.34 -0.88 0.00 0.00 0.12 0.00 0.00 29.99 29.57 1dro n HIS 18 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1dro n GLU 19 N -4.66 0.00 -4.26 -1.40 0.00 -0.90 -4.52 120.64 104.91 1dro n GLU 19 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 57.06 1dro n GLU 19 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.75 1dro n GLU 19 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 1dro s TRP 20 N 0.00 1.52 -0.17 4.31 -0.11 -1.26 -4.83 118.94 118.39 1dro s TRP 20 Ca 0.00 -0.51 0.06 0.00 1.22 0.00 0.00 56.10 56.87 1dro s TRP 20 Cb 0.00 -0.79 0.20 0.00 -1.50 0.00 0.00 33.47 31.38 1dro s TRP 20 CO 0.00 0.18 1.10 -0.40 -4.62 0.00 0.00 176.95 173.22 1dro n ASP 21 N 0.62 -0.98 -4.08 5.86 5.75 -1.26 -4.42 116.55 118.04 1dro n ASP 21 Ca -0.16 -1.77 -0.11 0.00 -0.01 0.00 0.00 54.79 52.74 1dro n ASP 21 Cb 0.56 0.42 -0.11 0.00 -1.03 0.00 0.00 41.12 40.96 1dro n ASP 21 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1dro s SER 22 N -0.81 0.80 -0.20 -1.12 1.04 -1.26 -5.06 113.70 107.09 1dro s SER 22 Ca 0.04 -0.72 0.23 0.00 0.48 0.00 0.00 55.95 55.99 1dro s SER 22 Cb 0.22 0.08 0.49 0.00 0.10 0.00 0.00 66.02 66.92 1dro s SER 22 CO -0.06 -0.34 1.13 1.07 0.98 0.00 0.00 173.24 176.01 1dro n THR 23 N 0.90 1.00 -3.40 2.02 5.66 -1.26 -5.06 114.28 114.15 1dro n THR 23 Ca -0.19 -2.50 -0.38 0.00 -3.05 0.00 0.00 64.05 57.93 1dro n THR 23 Cb 0.57 1.19 -0.07 0.00 -1.55 0.00 0.00 70.33 70.47 1dro n THR 23 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dro s THR 24 N -2.94 5.22 0.00 1.09 -4.23 -1.26 -4.82 115.64 108.69 1dro s THR 24 Ca 0.29 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 1dro s THR 24 Cb 0.34 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1dro s THR 24 CO -0.07 0.28 0.00 0.29 -0.54 0.00 0.00 174.62 174.58 1dro n LYS 25 N 4.24 0.00 0.00 3.99 4.01 -1.26 -4.95 118.16 124.18 1dro n LYS 25 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1dro n LYS 25 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 1dro n LYS 25 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1dro n LYS 26 N -1.72 0.00 0.05 1.97 5.02 -1.26 -2.81 118.16 119.41 1dro n LYS 26 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1dro n LYS 26 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1dro n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dro h ALA 27 N -0.91 -0.24 -3.00 7.82 0.00 -2.04 -3.49 119.26 117.40 1dro h ALA 27 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1dro h ALA 27 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dro h ALA 27 CO 0.00 -0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.45 1dro n SER 28 N -4.94 0.00 -2.24 0.00 7.64 -1.12 -5.14 113.62 107.82 1dro n SER 28 Ca -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.82 1dro n SER 28 Cb 0.10 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 1dro n SER 28 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1dro n ASN 29 N 0.00 -4.34 -4.59 6.43 4.13 -1.26 -4.40 115.26 111.24 1dro n ASN 29 Ca 0.00 1.31 -0.37 0.00 1.68 0.00 0.00 54.58 57.19 1dro n ASN 29 Cb 0.00 -4.46 0.06 0.00 -1.54 0.00 0.00 39.78 33.84 1dro n ASN 29 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1dro n ARG 30 N 1.44 0.75 0.00 3.52 1.85 -1.26 -4.84 116.66 118.13 1dro n ARG 30 Ca -0.18 0.30 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1dro n ARG 30 Cb 0.28 -2.09 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 1dro n ARG 30 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1dro n SER 31 N -0.69 0.00 -3.95 2.89 7.64 -1.26 -5.09 113.62 113.16 1dro n SER 31 Ca 0.13 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.72 1dro n SER 31 Cb 0.48 0.01 0.25 0.00 -1.01 0.00 0.00 64.21 63.94 1dro n SER 31 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1dro s TRP 32 N -1.13 0.48 0.05 1.43 0.52 -1.26 -5.02 118.94 114.01 1dro s TRP 32 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 56.10 56.87 1dro s TRP 32 Cb 0.00 -3.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 1dro s TRP 32 CO 0.00 -4.20 -0.05 0.34 0.02 0.00 0.00 176.95 173.07 1dro s ASP 33 N -3.22 0.61 -0.40 2.95 2.15 -0.81 -5.02 116.67 112.93 1dro s ASP 33 Ca 0.69 -0.79 0.01 0.00 0.43 0.00 0.00 52.55 52.88 1dro s ASP 33 Cb -0.16 0.12 0.11 0.00 -0.30 0.00 0.00 42.92 42.70 1dro s ASP 33 CO 0.59 -0.43 0.16 -0.75 -0.17 0.00 0.00 175.17 174.57 1dro s LYS 34 N -2.85 1.81 0.00 4.34 2.20 -1.26 -1.61 119.74 122.37 1dro s LYS 34 Ca -0.01 -1.95 0.00 0.00 -0.36 0.00 0.00 55.97 53.65 1dro s LYS 34 Cb -0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1dro s LYS 34 CO -0.05 -1.03 0.00 1.33 -0.36 0.00 0.00 175.35 175.25 1dro n VAL 35 N 4.27 0.00 -3.24 4.02 0.24 -0.78 -4.94 118.33 117.90 1dro n VAL 35 Ca 0.02 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 61.85 1dro n VAL 35 Cb 0.41 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.76 1dro n VAL 35 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1dro s TYR 36 N -1.61 3.66 0.20 6.34 2.02 0.48 -1.66 117.35 126.79 1dro s TYR 36 Ca 0.00 -1.92 -0.27 0.00 -0.37 0.00 0.00 57.07 54.51 1dro s TYR 36 Cb 0.00 -3.93 -0.08 0.00 -0.40 0.00 0.00 41.96 37.55 1dro s TYR 36 CO 0.00 -1.10 0.84 1.41 -1.57 0.00 0.00 175.55 175.13 1dro s MET 37 N 0.61 4.67 -0.51 -0.62 1.75 -1.07 -2.66 119.30 121.47 1dro s MET 37 Ca 0.22 1.28 0.05 0.00 -1.25 0.00 0.00 55.69 55.99 1dro s MET 37 Cb -0.09 -3.25 0.19 0.00 2.84 0.00 0.00 34.83 34.52 1dro s MET 37 CO -0.09 0.54 0.44 0.00 -0.65 0.00 0.00 175.02 175.26 1dro n ALA 38 N 1.51 3.06 -3.41 4.11 0.00 0.15 -2.44 120.51 123.48 1dro n ALA 38 Ca -0.04 -3.67 -0.08 0.00 0.00 0.00 0.00 53.44 49.64 1dro n ALA 38 Cb 0.48 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 1dro n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dro s ALA 39 N -0.72 -0.57 0.00 0.00 0.00 -1.09 -0.26 121.76 119.11 1dro s ALA 39 Ca 0.31 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1dro s ALA 39 Cb 0.04 1.00 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1dro s ALA 39 CO -0.17 -0.92 0.00 1.17 0.00 0.00 0.00 175.76 175.85 1dro n LYS 40 N -0.41 0.00 -1.15 0.00 4.81 -1.21 -2.62 118.16 117.58 1dro n LYS 40 Ca -0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.41 1dro n LYS 40 Cb 0.61 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.66 1dro n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dro n ALA 41 N -1.61 -0.71 0.00 3.14 0.00 -1.26 -4.81 120.51 115.26 1dro n ALA 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1dro n ALA 41 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1dro n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dro n GLY 42 N -0.15 0.00 3.51 0.00 0.00 -1.03 -1.41 105.19 106.11 1dro n GLY 42 Ca -0.05 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1dro n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dro s ARG 43 N -1.29 0.99 0.11 1.61 0.52 -1.25 -0.50 118.95 119.13 1dro s ARG 43 Ca 0.00 0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1dro s ARG 43 Cb 0.00 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.90 1dro s ARG 43 CO 0.00 -0.28 0.26 0.42 0.02 0.00 0.00 175.30 175.72 1dro s ILE 44 N -0.95 5.33 -0.20 1.52 1.09 -0.52 -3.28 121.20 124.19 1dro s ILE 44 Ca -0.09 -0.44 -0.10 0.00 -1.10 0.00 0.00 60.65 58.92 1dro s ILE 44 Cb -0.01 -3.67 0.07 0.00 -1.06 0.00 0.00 42.46 37.79 1dro s ILE 44 CO 0.08 0.03 0.46 -0.55 -0.10 0.00 0.00 174.94 174.87 1dro s SER 45 N -2.78 -0.54 -0.02 3.58 0.15 0.63 -2.13 113.70 112.60 1dro s SER 45 Ca 0.36 1.04 0.08 0.00 0.70 0.00 0.00 55.95 58.12 1dro s SER 45 Cb -0.12 1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 65.25 1dro s SER 45 CO 0.28 -0.21 -0.24 -0.36 1.20 0.00 0.00 173.24 173.90 1dro s PHE 46 N 1.82 2.19 -0.27 3.44 0.08 -0.92 0.30 117.98 124.62 1dro s PHE 46 Ca -0.07 -0.41 -0.18 0.00 0.12 0.00 0.00 56.93 56.38 1dro s PHE 46 Cb -0.09 -1.41 0.08 0.00 -0.57 0.00 0.00 43.02 41.03 1dro s PHE 46 CO -0.14 -0.04 0.68 1.52 -0.10 0.00 0.00 175.22 177.15 1dro s TYR 47 N -0.57 -0.96 0.01 0.36 1.13 -1.09 -4.59 117.35 111.64 1dro s TYR 47 Ca 0.09 2.03 -0.23 0.00 -1.41 0.00 0.00 57.07 57.56 1dro s TYR 47 Cb -0.09 0.51 -0.17 0.00 -1.10 0.00 0.00 41.96 41.11 1dro s TYR 47 CO -0.01 -0.47 1.30 -0.22 -2.51 0.00 0.00 175.55 173.64 1dro h LYS 48 N 6.41 0.22 0.00 -3.49 3.64 -1.85 0.14 116.57 121.64 1dro h LYS 48 Ca -0.30 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1dro h LYS 48 Cb 1.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1dro h LYS 48 CO 0.14 0.66 0.00 -0.25 -2.27 0.00 0.00 179.45 177.73 1dro n ASP 49 N -4.66 0.00 -3.88 4.20 9.92 -1.26 -3.57 116.55 117.30 1dro n ASP 49 Ca -0.07 -0.77 -0.42 0.00 -0.53 0.00 0.00 54.79 53.00 1dro n ASP 49 Cb 0.33 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1dro n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dro n GLN 50 N 0.00 3.34 0.00 -1.24 0.00 -1.26 -4.62 117.38 113.60 1dro n GLN 50 Ca 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 57.00 53.77 1dro n GLN 50 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 30.24 27.17 1dro n GLN 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1dro n LYS 51 N 4.88 0.00 -0.32 2.61 2.85 -1.26 -2.68 118.16 124.24 1dro n LYS 51 Ca 0.44 0.00 0.24 0.00 -1.05 0.00 0.00 58.31 57.94 1dro n LYS 51 Cb 0.38 0.00 0.53 0.00 -0.65 0.00 0.00 35.03 35.28 1dro n LYS 51 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1dro h GLY 52 N 0.00 1.13 0.15 2.58 0.00 -1.76 0.71 103.07 105.89 1dro h GLY 52 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.21 1dro h GLY 52 CO 0.00 -0.13 -0.18 -0.97 0.00 0.00 0.00 176.54 175.26 1dro h TYR 53 N 0.36 -0.46 -0.75 5.60 -1.99 -1.51 0.94 116.97 119.16 1dro h TYR 53 Ca 0.59 0.04 0.10 0.00 2.00 0.00 0.00 58.73 61.46 1dro h TYR 53 Cb 1.56 0.25 -0.12 0.00 2.00 0.00 0.00 36.73 40.42 1dro h TYR 53 CO -0.00 -0.26 -0.46 -0.22 -0.00 0.00 0.00 178.16 177.22 1dro h LYS 54 N -0.14 -0.13 0.00 4.88 3.11 0.62 -3.34 116.57 121.57 1dro h LYS 54 Ca 0.17 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1dro h LYS 54 Cb 0.39 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1dro h LYS 54 CO -0.41 -0.09 0.00 0.45 -2.81 0.00 0.00 179.45 176.60 1dro n SER 55 N -5.39 0.00 -4.21 4.20 2.88 -0.41 -4.91 113.62 105.78 1dro n SER 55 Ca 0.03 0.23 -0.29 0.00 -1.33 0.00 0.00 58.87 57.51 1dro n SER 55 Cb 0.34 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.64 1dro n SER 55 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1dro s ASN 56 N -1.47 2.66 0.00 -3.46 0.01 0.31 -5.03 114.94 107.96 1dro s ASN 56 Ca 0.00 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.75 1dro s ASN 56 Cb 0.00 -0.67 0.24 0.00 0.41 0.00 0.00 41.25 41.23 1dro s ASN 56 CO 0.00 0.21 0.65 -0.81 -1.51 0.00 0.00 177.10 175.64 1dro n PRO 57 N 2.96 0.41 -0.05 -0.60 -0.04 -1.26 -2.14 135.00 134.28 1dro n PRO 57 Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.23 1dro n PRO 57 Cb 0.52 -1.15 -0.08 0.00 -0.04 0.00 0.00 33.50 32.75 1dro n PRO 57 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1dro n GLU 58 N -0.65 2.17 -3.45 0.54 0.28 -1.26 -5.02 120.64 113.25 1dro n GLU 58 Ca 0.03 -0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.78 1dro n GLU 58 Cb 0.01 -1.28 -0.02 0.00 1.43 0.00 0.00 31.44 31.59 1dro n GLU 58 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dro s LEU 59 N -4.83 4.07 0.00 -1.84 1.43 -0.91 -4.99 118.68 111.60 1dro s LEU 59 Ca -0.06 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1dro s LEU 59 Cb 0.03 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1dro s LEU 59 CO 0.43 -0.23 0.00 0.35 0.23 0.00 0.00 176.35 177.14 1dro n THR 60 N -1.44 0.00 0.52 5.49 -2.24 -1.26 -2.06 114.28 113.28 1dro n THR 60 Ca -0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 1dro n THR 60 Cb 0.55 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.97 1dro n THR 60 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1dro n PHE 61 N 0.00 0.71 0.00 4.78 1.16 -1.26 -3.33 117.46 119.52 1dro n PHE 61 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 57.45 55.28 1dro n PHE 61 Cb 0.00 -0.11 0.00 0.00 -1.61 0.00 0.00 39.48 37.76 1dro n PHE 61 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 1dro n ARG 62 N 0.51 0.00 -1.78 3.97 0.63 -1.26 -4.77 116.66 113.95 1dro n ARG 62 Ca 0.13 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.72 1dro n ARG 62 Cb 0.47 -0.50 -0.03 0.00 0.45 0.00 0.00 32.46 32.85 1dro n ARG 62 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1dro n GLY 63 N -0.88 4.85 0.12 5.14 0.00 -1.26 -4.70 105.19 108.46 1dro n GLY 63 Ca 0.00 -1.99 0.09 0.00 0.00 0.00 0.00 46.02 44.12 1dro n GLY 63 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1dro h GLU 64 N 3.89 0.00 -3.25 1.61 4.11 -1.86 -3.39 114.58 115.70 1dro h GLU 64 Ca 0.57 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.71 1dro h GLU 64 Cb 0.49 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.87 1dro h GLU 64 CO 1.21 0.07 -1.25 -2.30 0.07 0.00 0.00 179.01 176.81 1dro n PRO 65 N -2.75 0.00 -3.45 1.06 -0.02 -1.26 -3.44 135.00 125.14 1dro n PRO 65 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.35 1dro n PRO 65 Cb 0.61 -0.54 -0.02 0.00 -0.02 0.00 0.00 33.50 33.52 1dro n PRO 65 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1dro s SER 66 N -0.54 -0.52 0.33 2.55 1.04 -1.26 -2.15 113.70 113.13 1dro s SER 66 Ca 0.21 0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.69 1dro s SER 66 Cb -0.02 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 1dro s SER 66 CO 0.40 -0.84 0.43 -0.31 0.98 0.00 0.00 173.24 173.90 1dro s TYR 67 N -3.31 1.12 -0.40 5.02 1.51 -0.90 -4.78 117.35 115.61 1dro s TYR 67 Ca 0.01 -1.31 0.03 0.00 -1.01 0.00 0.00 57.07 54.79 1dro s TYR 67 Cb -0.01 -0.18 0.16 0.00 -0.11 0.00 0.00 41.96 41.82 1dro s TYR 67 CO -0.10 -1.06 0.35 0.34 -1.11 0.00 0.00 175.55 173.98 1dro s ASP 68 N -3.24 1.46 -0.55 2.29 2.15 -1.26 -1.44 116.67 116.09 1dro s ASP 68 Ca 0.32 -2.37 0.04 0.00 0.43 0.00 0.00 52.55 50.97 1dro s ASP 68 Cb 0.00 0.04 0.16 0.00 -0.30 0.00 0.00 42.92 42.83 1dro s ASP 68 CO 0.20 -0.21 0.38 -0.76 -0.17 0.00 0.00 175.17 174.61 1dro s LEU 69 N 0.71 3.30 -0.11 -1.34 2.01 0.35 -4.82 118.68 118.78 1dro s LEU 69 Ca 0.25 -3.32 0.07 0.00 0.01 0.00 0.00 54.13 51.14 1dro s LEU 69 Cb -0.08 -1.14 0.39 0.00 0.01 0.00 0.00 46.19 45.38 1dro s LEU 69 CO -0.09 -0.16 1.11 0.00 1.01 0.00 0.00 176.35 178.23 1dro n GLN 70 N 2.62 2.83 -0.08 1.70 10.64 -1.23 -2.46 117.38 131.41 1dro n GLN 70 Ca 0.20 -1.51 -0.07 0.00 -1.83 0.00 0.00 57.00 53.79 1dro n GLN 70 Cb 0.39 -1.84 -0.14 0.00 -0.86 0.00 0.00 30.24 27.79 1dro n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1dro n ASN 71 N 0.32 0.57 -3.07 2.61 5.03 -0.46 -1.97 115.26 118.29 1dro n ASN 71 Ca 0.13 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.46 1dro n ASN 71 Cb 0.69 1.04 0.12 0.00 -1.02 0.00 0.00 39.78 40.60 1dro n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dro n ALA 72 N -2.62 -2.02 -3.00 5.41 0.00 0.40 -4.60 120.51 114.09 1dro n ALA 72 Ca -0.27 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1dro n ALA 72 Cb 1.03 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.42 1dro n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dro n ALA 73 N -4.09 0.00 -3.02 0.00 0.00 0.23 -1.70 120.51 111.93 1dro n ALA 73 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1dro n ALA 73 Cb 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 1dro n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dro s ILE 74 N 0.69 0.10 -0.10 0.00 1.01 -1.26 -2.60 121.20 119.04 1dro s ILE 74 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 1dro s ILE 74 Cb 0.00 -0.30 0.12 0.00 0.01 0.00 0.00 42.46 42.29 1dro s ILE 74 CO 0.00 -0.43 0.98 -0.70 0.00 0.00 0.00 174.94 174.78 1dro s GLU 75 N -1.35 0.65 0.09 2.79 2.12 0.32 -4.87 118.70 118.46 1dro s GLU 75 Ca -0.15 -0.08 0.08 0.00 0.36 0.00 0.00 54.97 55.19 1dro s GLU 75 Cb -0.09 0.30 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1dro s GLU 75 CO -0.00 -0.25 -0.22 0.42 -0.54 0.00 0.00 175.26 174.67 1dro s ILE 76 N -2.12 1.78 0.00 -3.70 1.09 -1.26 0.39 121.20 117.38 1dro s ILE 76 Ca 0.02 -1.49 0.00 0.00 -1.10 0.00 0.00 60.65 58.08 1dro s ILE 76 Cb -0.01 -1.59 0.00 0.00 -1.06 0.00 0.00 42.46 39.80 1dro s ILE 76 CO -0.04 0.02 0.35 0.00 -0.10 0.00 0.00 174.94 175.18 1dro n ALA 77 N 1.25 0.00 -3.22 9.38 0.00 -1.18 -4.88 120.51 121.86 1dro n ALA 77 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1dro n ALA 77 Cb 0.53 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.03 1dro n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dro n SER 78 N -0.42 -6.10 -2.69 0.00 2.88 -1.26 -4.85 113.62 101.19 1dro n SER 78 Ca 0.00 -0.38 -0.06 0.00 -1.33 0.00 0.00 58.87 57.10 1dro n SER 78 Cb 0.00 -4.89 0.12 0.00 -0.75 0.00 0.00 64.21 58.69 1dro n SER 78 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1dro n ASP 79 N -2.67 -1.80 -1.90 -3.46 -0.08 -1.26 -5.07 116.55 100.31 1dro n ASP 79 Ca -0.07 -2.40 -0.06 0.00 -1.51 0.00 0.00 54.79 50.76 1dro n ASP 79 Cb 0.60 0.95 -0.00 0.00 2.34 0.00 0.00 41.12 45.01 1dro n ASP 79 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1dro n TYR 80 N -0.79 -1.25 -0.01 -0.67 4.01 -1.26 -4.92 117.16 112.26 1dro n TYR 80 Ca -0.06 -1.01 0.02 0.00 -0.16 0.00 0.00 57.90 56.69 1dro n TYR 80 Cb 0.85 0.34 -0.07 0.00 -0.31 0.00 0.00 39.34 40.16 1dro n TYR 80 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1dro n THR 81 N -0.26 0.15 0.00 -0.72 -1.04 -1.26 -4.39 114.28 106.75 1dro n THR 81 Ca -0.02 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1dro n THR 81 Cb 0.28 0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1dro n THR 81 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1dro n LYS 82 N -1.93 0.00 0.00 -2.82 2.85 -1.26 -4.69 118.16 110.31 1dro n LYS 82 Ca -0.05 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.31 1dro n LYS 82 Cb 0.37 -0.58 0.54 0.00 -0.65 0.00 0.00 35.03 34.70 1dro n LYS 82 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1dro n LYS 83 N -2.79 0.53 -0.11 -1.58 4.76 -1.26 -3.39 118.16 114.31 1dro n LYS 83 Ca 0.00 0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.45 1dro n LYS 83 Cb 0.45 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.16 1dro n LYS 83 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1dro n LYS 84 N -1.05 1.19 -2.22 1.97 4.81 -1.26 -2.83 118.16 118.77 1dro n LYS 84 Ca 0.13 -0.29 0.02 0.00 -0.87 0.00 0.00 58.31 57.29 1dro n LYS 84 Cb 0.08 -1.24 0.04 0.00 0.02 0.00 0.00 35.03 33.93 1dro n LYS 84 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1dro n HIS 85 N 0.27 0.70 -4.42 5.64 8.25 -1.22 -4.55 115.22 119.89 1dro n HIS 85 Ca 0.05 -1.41 -0.24 0.00 -0.26 0.00 0.00 57.72 55.87 1dro n HIS 85 Cb 0.54 -0.20 -0.11 0.00 1.12 0.00 0.00 29.99 31.35 1dro n HIS 85 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1dro s VAL 86 N -2.12 2.26 0.26 1.59 0.11 -1.13 -4.42 120.40 116.96 1dro s VAL 86 Ca 0.30 -2.22 0.08 0.00 -2.93 0.00 0.00 61.98 57.22 1dro s VAL 86 Cb 0.35 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 32.99 1dro s VAL 86 CO -0.10 -0.34 -0.12 -1.48 -3.33 0.00 0.00 175.10 169.73 1dro s LEU 87 N -3.16 2.55 -0.22 2.54 2.34 -0.79 -3.08 118.68 118.87 1dro s LEU 87 Ca 0.25 -1.11 -0.11 0.00 0.06 0.00 0.00 54.13 53.22 1dro s LEU 87 Cb -0.05 -0.77 0.08 0.00 -0.56 0.00 0.00 46.19 44.88 1dro s LEU 87 CO 0.11 -0.20 0.52 -0.13 -1.06 0.00 0.00 176.35 175.59 1dro s ARG 88 N -3.65 0.49 -0.13 1.48 0.52 0.16 0.66 118.95 118.49 1dro s ARG 88 Ca 0.28 1.03 -0.02 0.00 -0.52 0.00 0.00 55.73 56.50 1dro s ARG 88 Cb 0.01 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1dro s ARG 88 CO 0.11 -0.18 -0.04 0.54 0.02 0.00 0.00 175.30 175.75 1dro s VAL 89 N 1.86 3.87 -0.26 3.52 0.11 -1.07 0.12 120.40 128.54 1dro s VAL 89 Ca -0.08 -0.38 -0.06 0.00 -2.93 0.00 0.00 61.98 58.53 1dro s VAL 89 Cb -0.08 -2.66 -0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1dro s VAL 89 CO -0.16 0.53 0.03 -0.75 -3.33 0.00 0.00 175.10 171.43 1dro s LYS 90 N -0.04 3.30 0.00 1.54 2.20 -1.07 -1.83 119.74 123.84 1dro s LYS 90 Ca 0.01 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1dro s LYS 90 Cb -0.13 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1dro s LYS 90 CO 0.03 -0.30 0.00 1.28 -0.36 0.00 0.00 175.35 175.99 1dro n LEU 91 N 4.85 0.00 -0.80 5.43 4.32 -1.12 0.74 117.00 130.41 1dro n LEU 91 Ca -0.16 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 55.85 1dro n LEU 91 Cb 0.50 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.49 1dro n LEU 91 CO 0.30 -0.73 0.43 0.00 -1.22 0.00 0.00 177.39 176.17 1dro n ALA 92 N -3.00 3.90 -1.91 -1.18 0.00 -1.26 -4.62 120.51 112.44 1dro n ALA 92 Ca 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 53.44 50.19 1dro n ALA 92 Cb 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 19.45 19.12 1dro n ALA 92 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1dro n ASN 93 N -1.10 1.38 0.00 0.00 0.23 -1.26 -4.98 115.26 109.53 1dro n ASN 93 Ca 0.24 -2.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.29 1dro n ASN 93 Cb 0.78 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1dro n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dro n GLY 94 N -0.48 2.80 3.90 4.83 0.00 -1.26 -5.01 105.19 109.98 1dro n GLY 94 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1dro n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dro s ALA 95 N -1.97 3.48 0.03 4.61 0.00 -1.26 -4.61 121.76 122.05 1dro s ALA 95 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1dro s ALA 95 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1dro s ALA 95 CO 0.00 -0.04 -0.10 -0.51 0.00 0.00 0.00 175.76 175.11 1dro s LEU 96 N -4.08 2.16 -0.48 0.00 1.02 -1.26 -2.78 118.68 113.25 1dro s LEU 96 Ca 0.47 -0.40 -0.07 0.00 0.02 0.00 0.00 54.13 54.15 1dro s LEU 96 Cb -0.10 -0.41 0.12 0.00 0.02 0.00 0.00 46.19 45.82 1dro s LEU 96 CO 0.35 -0.02 0.32 -0.36 0.02 0.00 0.00 176.35 176.67 1dro s PHE 97 N -0.83 3.49 0.39 0.29 0.08 -0.76 -2.11 117.98 118.53 1dro s PHE 97 Ca -0.01 -2.15 -0.11 0.00 0.12 0.00 0.00 56.93 54.78 1dro s PHE 97 Cb -0.07 -3.39 -0.07 0.00 -0.57 0.00 0.00 43.02 38.92 1dro s PHE 97 CO 0.01 -0.97 0.76 -0.51 -0.10 0.00 0.00 175.22 174.40 1dro s LEU 98 N 1.10 3.86 -0.25 -0.37 1.43 -1.08 -2.61 118.68 120.76 1dro s LEU 98 Ca 0.08 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1dro s LEU 98 Cb -0.24 -4.00 0.09 0.00 0.03 0.00 0.00 46.19 42.07 1dro s LEU 98 CO -0.02 -0.38 0.13 -0.76 0.23 0.00 0.00 176.35 175.55 1dro s LEU 99 N -3.77 0.44 -0.60 1.79 1.43 0.21 -2.49 118.68 115.70 1dro s LEU 99 Ca 0.51 -1.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 1dro s LEU 99 Cb -0.10 -0.27 0.15 0.00 0.03 0.00 0.00 46.19 45.99 1dro s LEU 99 CO 0.30 -0.41 0.53 -1.58 0.23 0.00 0.00 176.35 175.43 1dro s GLN 100 N 2.12 3.03 0.98 1.70 0.74 -0.89 -1.88 119.66 125.46 1dro s GLN 100 Ca 0.07 -1.93 -0.16 0.00 0.05 0.00 0.00 55.36 53.40 1dro s GLN 100 Cb -0.16 -4.25 0.22 0.00 1.10 0.00 0.00 33.01 29.93 1dro s GLN 100 CO -0.28 -1.29 1.33 0.00 -0.55 0.00 0.00 175.29 174.50 1dro s ALA 101 N 1.16 2.26 -0.16 1.58 0.00 -1.26 -2.22 121.76 123.11 1dro s ALA 101 Ca 0.07 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 1dro s ALA 101 Cb -0.24 -2.67 -0.07 0.00 0.00 0.00 0.00 23.12 20.13 1dro s ALA 101 CO -0.01 -2.55 -0.07 1.58 0.00 0.00 0.00 175.76 174.71 1dro n HIS 102 N -3.80 0.97 0.00 0.00 -0.00 -1.26 -4.89 115.22 106.23 1dro n HIS 102 Ca 0.17 0.42 0.00 0.00 0.46 0.00 0.00 57.72 58.77 1dro n HIS 102 Cb 0.59 -0.87 0.00 0.00 -0.12 0.00 0.00 29.99 29.60 1dro n HIS 102 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1dro n ASP 103 N -4.57 0.00 0.00 0.26 9.92 -1.26 -5.04 116.55 115.86 1dro n ASP 103 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1dro n ASP 103 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 1dro n ASP 103 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1dro n ASP 104 N -0.79 0.00 0.05 -2.24 9.92 -1.26 -4.90 116.55 117.33 1dro n ASP 104 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1dro n ASP 104 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1dro n ASP 104 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1dro h THR 105 N 0.00 0.95 0.05 -3.53 2.02 -1.98 -2.76 112.91 107.66 1dro h THR 105 Ca 0.00 -2.54 -0.28 0.00 0.77 0.00 0.00 66.41 64.36 1dro h THR 105 Cb 0.00 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1dro h THR 105 CO 0.00 0.54 -1.50 1.05 0.37 0.00 0.00 175.52 175.98 1dro h GLU 106 N 0.00 0.10 -0.43 6.66 4.11 -1.96 -2.87 114.58 120.18 1dro h GLU 106 Ca -0.12 -0.17 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 1dro h GLU 106 Cb 1.68 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 1dro h GLU 106 CO 0.08 0.86 0.01 1.98 0.07 0.00 0.00 179.01 182.00 1dro h MET 107 N 0.03 0.76 -0.04 1.06 4.05 -1.91 0.59 114.93 119.47 1dro h MET 107 Ca -0.22 -0.24 -0.15 0.00 -0.28 0.00 0.00 59.70 58.81 1dro h MET 107 Cb 1.96 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.67 1dro h MET 107 CO 0.12 0.82 -0.66 0.77 0.23 0.00 0.00 176.91 178.19 1dro h SER 108 N 0.60 0.21 1.07 1.39 0.02 -1.65 -2.80 113.55 112.40 1dro h SER 108 Ca 0.12 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1dro h SER 108 Cb 0.48 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1dro h SER 108 CO 0.02 0.81 -0.09 1.56 -1.14 0.00 0.00 176.83 177.99 1dro h GLN 109 N 0.12 0.00 -0.41 3.45 1.08 -1.18 0.26 115.11 118.43 1dro h GLN 109 Ca -0.01 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 1dro h GLN 109 Cb 1.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.61 1dro h GLN 109 CO 0.10 0.09 -0.25 -1.49 -0.95 0.00 0.00 178.83 176.32 1dro h TRP 110 N 0.00 1.00 -0.14 2.96 4.06 0.43 0.45 115.95 124.71 1dro h TRP 110 Ca -0.00 -0.25 -0.18 0.00 2.06 0.00 0.00 58.89 60.53 1dro h TRP 110 Cb 0.65 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1dro h TRP 110 CO 0.00 1.02 -0.65 -0.24 -3.56 0.00 0.00 178.44 175.01 1dro h VAL 111 N 0.74 1.34 0.58 1.49 3.04 -1.20 0.25 116.25 122.49 1dro h VAL 111 Ca 0.09 -1.96 -0.03 0.00 -1.01 0.00 0.00 66.70 63.80 1dro h VAL 111 Cb 0.80 1.93 0.01 0.00 -2.01 0.00 0.00 31.29 32.02 1dro h VAL 111 CO 0.07 0.60 -0.28 0.71 -1.01 0.00 0.00 177.57 177.66 1dro h THR 112 N 0.38 0.43 0.00 3.17 1.35 -0.42 0.18 112.91 118.01 1dro h THR 112 Ca -0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1dro h THR 112 Cb 1.22 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1dro h THR 112 CO 0.12 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.15 1dro n SER 113 N -5.42 0.00 -0.30 5.36 2.88 0.14 -2.73 113.62 113.55 1dro n SER 113 Ca -0.13 0.93 0.13 0.00 -1.33 0.00 0.00 58.87 58.48 1dro n SER 113 Cb 0.32 -0.43 0.28 0.00 -0.75 0.00 0.00 64.21 63.63 1dro n SER 113 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1dro h LEU 114 N 0.00 -0.13 -0.43 2.46 -0.00 -0.52 0.14 115.31 116.83 1dro h LEU 114 Ca 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 58.05 1dro h LEU 114 Cb 0.00 0.32 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1dro h LEU 114 CO 0.00 -0.21 0.10 0.50 -0.00 0.00 0.00 178.44 178.82 1dro h LYS 115 N 0.14 0.70 -0.25 1.13 3.64 -0.98 -1.26 116.57 119.69 1dro h LYS 115 Ca 0.56 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.84 1dro h LYS 115 Cb 1.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1dro h LYS 115 CO -0.72 0.71 0.22 0.00 -2.27 0.00 0.00 179.45 177.39 1dro h ALA 116 N 0.96 2.04 0.00 5.00 0.00 -0.51 -3.35 119.26 123.40 1dro h ALA 116 Ca 0.14 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1dro h ALA 116 Cb 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1dro h ALA 116 CO 0.00 -0.35 -1.39 1.04 0.00 0.00 0.00 179.25 178.55 1dro n GLN 117 N -4.10 0.53 -0.32 0.00 1.13 -0.82 -4.59 117.38 109.21 1dro n GLN 117 Ca 0.03 0.22 -0.08 0.00 -1.94 0.00 0.00 57.00 55.23 1dro n GLN 117 Cb 0.37 -1.42 -0.07 0.00 0.11 0.00 0.00 30.24 29.23 1dro n GLN 117 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1dro n SER 118 N -4.37 -0.79 -3.66 1.08 7.64 -0.50 -1.80 113.62 111.21 1dro n SER 118 Ca -0.24 1.34 -0.36 0.00 1.01 0.00 0.00 58.87 60.61 1dro n SER 118 Cb 0.61 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1dro n SER 118 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1dro n ASP 119 N -4.95 5.56 -4.75 6.43 5.75 -0.69 -0.45 116.55 123.45 1dro n ASP 119 Ca 0.02 -3.49 -0.40 0.00 -0.01 0.00 0.00 54.79 50.90 1dro n ASP 119 Cb 0.20 -1.00 -0.05 0.00 -1.03 0.00 0.00 41.12 39.25 1dro n ASP 119 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1dro s SER 120 N -2.13 7.35 0.23 -1.12 0.15 -0.75 -4.88 113.70 112.55 1dro s SER 120 Ca 0.37 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.16 1dro s SER 120 Cb 0.12 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1dro s SER 120 CO 0.01 -0.11 0.00 0.35 1.20 0.00 0.00 173.24 174.69 1dro n THR 121 N 1.68 0.00 -0.76 6.45 -2.24 -1.26 -4.83 114.28 113.32 1dro n THR 121 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1dro n THR 121 Cb 0.46 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1dro n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50