#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5c n ARG 2 N 0.00 0.98 -1.71 0.00 -4.01 -1.26 -5.06 116.66 105.60 2a5c n ARG 2 Ca 0.00 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.50 2a5c n ARG 2 Cb 0.00 0.00 0.04 0.00 -3.04 0.00 0.00 32.46 29.46 2a5c n ARG 2 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2a5c s LYS 3 N -0.99 3.10 -0.26 2.89 1.02 -1.26 -4.91 119.74 119.33 2a5c s LYS 3 Ca 0.00 0.80 -0.00 0.00 0.02 0.00 0.00 55.97 56.79 2a5c s LYS 3 Cb 0.00 -2.02 0.04 0.00 -0.52 0.00 0.00 37.83 35.33 2a5c s LYS 3 CO 0.00 -0.94 -0.08 0.00 -0.92 0.00 0.00 175.35 173.41 2a5c s SER 5 N 1.24 4.45 0.37 0.00 0.15 -1.26 -4.68 113.70 113.97 2a5c s SER 5 Ca -0.03 -0.20 0.17 0.00 0.70 0.00 0.00 55.95 56.59 2a5c s SER 5 Cb -0.18 -1.65 0.70 0.00 -1.71 0.00 0.00 66.02 63.18 2a5c s SER 5 CO -0.05 0.19 1.76 -0.07 1.20 0.00 0.00 173.24 176.27 2a5c h LEU 6 N 6.56 0.00 -9.49 3.45 3.38 -1.98 -3.45 115.31 113.79 2a5c h LEU 6 Ca -0.30 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.14 2a5c h LEU 6 Cb 1.20 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.98 2a5c h LEU 6 CO 0.59 0.39 1.12 -0.89 0.09 0.00 0.00 178.44 179.74 2a5c s THR 7 N -3.76 2.63 -5.00 0.22 2.01 -1.26 -4.60 115.64 105.88 2a5c s THR 7 Ca -0.01 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2a5c s THR 7 Cb 0.12 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2a5c s THR 7 CO 0.70 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 2a5c n GLY 8 N 4.26 0.77 3.21 4.40 0.00 -0.24 -4.97 105.19 112.62 2a5c n GLY 8 Ca 0.18 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 2a5c n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5c s LYS 9 N -2.00 2.80 0.14 1.61 1.02 -1.26 -0.81 119.74 121.24 2a5c s LYS 9 Ca 0.00 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.21 2a5c s LYS 9 Cb 0.00 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2a5c s LYS 9 CO 0.00 0.22 -0.14 -1.58 -0.92 0.00 0.00 175.35 172.93 2a5c s TRP 10 N 0.24 1.43 0.19 3.18 0.52 0.26 -1.59 118.94 123.17 2a5c s TRP 10 Ca -0.15 -0.59 0.02 0.00 0.02 0.00 0.00 56.10 55.41 2a5c s TRP 10 Cb -0.17 -0.73 -0.05 0.00 -1.15 0.00 0.00 33.47 31.38 2a5c s TRP 10 CO 0.07 0.17 -0.00 -0.08 0.02 0.00 0.00 176.95 177.13 2a5c s THR 11 N -2.45 0.78 0.37 2.01 -1.32 0.36 -0.75 115.64 114.64 2a5c s THR 11 Ca 0.12 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.67 2a5c s THR 11 Cb -0.03 -2.16 -0.02 0.00 -1.51 0.00 0.00 72.50 68.78 2a5c s THR 11 CO 0.03 -0.45 0.23 0.54 -2.21 0.00 0.00 174.62 172.76 2a5c s ASN 12 N -3.20 2.25 0.61 8.08 2.20 -0.75 -1.06 114.94 123.06 2a5c s ASN 12 Ca 0.25 -1.76 0.36 0.00 -0.94 0.00 0.00 52.86 50.76 2a5c s ASN 12 Cb 0.06 0.58 2.01 0.00 -2.00 0.00 0.00 41.25 41.90 2a5c s ASN 12 CO 0.05 -1.04 2.27 -2.24 -2.94 0.00 0.00 177.10 173.20 2a5c h ASP 13 N 1.95 0.00 -0.48 3.54 2.03 -1.84 -0.67 116.42 120.95 2a5c h ASP 13 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 2a5c h ASP 13 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2a5c h ASP 13 CO 0.43 0.01 0.00 0.18 -1.03 0.00 0.00 179.24 178.84 2a5c n LEU 14 N -3.49 3.39 0.00 0.15 4.77 -1.26 -4.97 117.00 115.59 2a5c n LEU 14 Ca -0.03 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 2a5c n LEU 14 Cb 0.10 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2a5c n LEU 14 CO 0.25 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2a5c n GLY 15 N 1.51 0.79 3.84 -0.72 0.00 -0.26 -4.99 105.19 105.36 2a5c n GLY 15 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2a5c n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a5c s SER 16 N -2.60 5.97 0.10 1.61 0.01 -1.26 -4.82 113.70 112.71 2a5c s SER 16 Ca 0.00 1.58 0.08 0.00 1.31 0.00 0.00 55.95 58.91 2a5c s SER 16 Cb 0.00 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 2a5c s SER 16 CO 0.00 -1.04 -0.19 0.20 0.41 0.00 0.00 173.24 172.62 2a5c s ASN 17 N -3.60 2.35 -0.00 2.44 0.01 0.17 -1.81 114.94 114.49 2a5c s ASN 17 Ca 0.58 -0.67 -0.02 0.00 -0.71 0.00 0.00 52.86 52.04 2a5c s ASN 17 Cb -0.13 -0.12 -0.01 0.00 0.41 0.00 0.00 41.25 41.41 2a5c s ASN 17 CO 0.47 0.03 0.04 0.00 -1.51 0.00 0.00 177.10 176.12 2a5c s MET 18 N -1.88 0.23 -0.08 -0.60 0.23 0.07 -0.20 119.30 117.07 2a5c s MET 18 Ca 0.05 -0.27 0.03 0.00 -1.03 0.00 0.00 55.69 54.47 2a5c s MET 18 Cb -0.10 0.09 -0.02 0.00 -1.53 0.00 0.00 34.83 33.27 2a5c s MET 18 CO 0.04 -0.04 -0.17 0.99 -2.03 0.00 0.00 175.02 173.80 2a5c s THR 19 N -0.78 2.74 -0.02 3.16 2.01 -0.58 0.90 115.64 123.07 2a5c s THR 19 Ca -0.09 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.17 2a5c s THR 19 Cb -0.05 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 2a5c s THR 19 CO -0.00 0.56 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.65 2a5c s ILE 20 N -0.18 1.66 0.00 1.82 1.01 0.01 -0.37 121.20 125.16 2a5c s ILE 20 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2a5c s ILE 20 Cb -0.13 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.95 2a5c s ILE 20 CO 0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.05 2a5c n GLY 21 N 2.60 1.32 3.79 6.18 0.00 -0.59 -1.08 105.19 117.41 2a5c n GLY 21 Ca -0.15 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 2a5c n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5c s ALA 22 N -3.58 3.18 -0.26 4.61 0.00 -1.26 -4.20 121.76 120.25 2a5c s ALA 22 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2a5c s ALA 22 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 2a5c s ALA 22 CO 0.00 0.16 0.21 0.54 0.00 0.00 0.00 175.76 176.68 2a5c s VAL 23 N -1.71 5.30 0.26 0.00 0.11 -1.26 -4.50 120.40 118.60 2a5c s VAL 23 Ca 0.52 0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.79 2a5c s VAL 23 Cb -0.17 -3.55 0.06 0.00 -1.53 0.00 0.00 36.38 31.19 2a5c s VAL 23 CO 0.22 0.27 0.27 -0.46 -3.33 0.00 0.00 175.10 172.07 2a5c n ASN 24 N 4.76 -0.79 0.21 3.54 0.23 -0.63 -4.85 115.26 117.73 2a5c n ASN 24 Ca -0.13 -0.81 0.09 0.00 -0.53 0.00 0.00 54.58 53.19 2a5c n ASN 24 Cb 0.52 -0.23 0.36 0.00 -2.08 0.00 0.00 39.78 38.35 2a5c n ASN 24 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2a5c h SER 25 N -1.04 0.00 -0.03 0.53 4.64 -1.98 -2.44 113.55 113.22 2a5c h SER 25 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2a5c h SER 25 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2a5c h SER 25 CO 0.06 0.24 0.00 0.54 -0.87 0.00 0.00 176.83 176.81 2a5c n ARG 26 N -3.31 1.32 -0.48 4.77 1.74 -1.26 -4.93 116.66 114.51 2a5c n ARG 26 Ca 0.01 -0.48 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 2a5c n ARG 26 Cb 0.49 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2a5c n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a5c n GLY 27 N 1.03 0.75 3.82 -0.13 0.00 -0.92 -4.82 105.19 104.93 2a5c n GLY 27 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2a5c n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a5c s GLU 28 N -0.52 4.27 -0.01 1.61 2.02 -1.26 -0.26 118.70 124.55 2a5c s GLU 28 Ca 0.00 1.03 -0.20 0.00 0.02 0.00 0.00 54.97 55.82 2a5c s GLU 28 Cb 0.00 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.77 2a5c s GLU 28 CO 0.00 0.15 0.44 -0.59 0.02 0.00 0.00 175.26 175.28 2a5c s PHE 29 N -1.90 -0.33 0.41 1.61 -0.12 -0.85 -1.61 117.98 115.20 2a5c s PHE 29 Ca 0.54 0.48 0.07 0.00 -0.05 0.00 0.00 56.93 57.98 2a5c s PHE 29 Cb -0.13 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 2a5c s PHE 29 CO 0.18 -0.50 0.22 0.99 -0.05 0.00 0.00 175.22 176.05 2a5c s THR 30 N -1.64 2.36 0.00 -4.49 2.01 -1.26 -1.17 115.64 111.46 2a5c s THR 30 Ca -0.10 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 60.26 2a5c s THR 30 Cb -0.03 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2a5c s THR 30 CO 0.04 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2a5c n GLY 31 N -1.29 1.03 3.06 4.40 0.00 -0.60 -1.54 105.19 110.25 2a5c n GLY 31 Ca -0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2a5c n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5c s THR 32 N -2.03 0.53 -0.11 2.61 2.01 0.51 -2.22 115.64 116.94 2a5c s THR 32 Ca 0.00 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 2a5c s THR 32 Cb 0.00 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.94 2a5c s THR 32 CO 0.00 -0.39 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.00 2a5c s TYR 33 N -1.38 1.41 -0.18 4.92 6.14 0.10 -1.53 117.35 126.82 2a5c s TYR 33 Ca -0.10 -0.67 -0.01 0.00 0.64 0.00 0.00 57.07 56.93 2a5c s TYR 33 Cb -0.10 -1.18 0.00 0.00 0.42 0.00 0.00 41.96 41.11 2a5c s TYR 33 CO 0.00 -0.48 -0.14 0.99 0.64 0.00 0.00 175.55 176.57 2a5c s THR 34 N 1.64 2.63 0.33 4.34 2.01 0.72 -0.73 115.64 126.57 2a5c s THR 34 Ca 0.03 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2a5c s THR 34 Cb -0.13 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 2a5c s THR 34 CO -0.07 0.50 0.10 0.28 -0.69 0.00 0.00 174.62 174.74 2a5c s THR 35 N 1.17 0.72 0.03 -0.82 -1.32 -1.14 -0.66 115.64 113.63 2a5c s THR 35 Ca 0.02 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.43 2a5c s THR 35 Cb -0.14 -2.59 0.02 0.00 -1.51 0.00 0.00 72.50 68.28 2a5c s THR 35 CO -0.06 0.00 0.29 0.00 -2.21 0.00 0.00 174.62 172.64 2a5c n ALA 36 N -0.67 -0.78 -0.04 11.08 0.00 -1.26 -3.58 120.51 125.26 2a5c n ALA 36 Ca -0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 2a5c n ALA 36 Cb 0.66 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 2a5c n ALA 36 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2a5c n VAL 37 N -0.21 0.79 -3.20 0.00 3.14 -1.26 -5.00 118.33 112.60 2a5c n VAL 37 Ca -0.00 -0.01 -0.09 0.00 -2.96 0.00 0.00 64.34 61.28 2a5c n VAL 37 Cb 0.15 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 2a5c n VAL 37 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2a5c n THR 38 N -3.58 -8.58 -2.44 1.55 -2.24 -1.26 -4.34 114.28 93.39 2a5c n THR 38 Ca -0.16 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2a5c n THR 38 Cb 0.51 -5.98 0.00 0.00 -2.10 0.00 0.00 70.33 62.76 2a5c n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a5c n ALA 39 N -1.54 0.00 0.00 6.98 0.00 -1.26 -4.10 120.51 120.59 2a5c n ALA 39 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2a5c n ALA 39 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2a5c n ALA 39 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2a5c n THR 40 N 0.00 0.00 0.00 0.00 5.66 -1.26 -5.09 114.28 113.59 2a5c n THR 40 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2a5c n THR 40 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2a5c n THR 40 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2a5c n SER 41 N 2.67 0.00 -3.87 1.09 3.41 -1.26 -5.00 113.62 110.66 2a5c n SER 41 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2a5c n SER 41 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2a5c n SER 41 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2a5c n ASN 42 N 0.00 -0.83 0.00 4.04 3.02 -1.26 -4.42 115.26 115.81 2a5c n ASN 42 Ca 0.00 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 2a5c n ASN 42 Cb 0.00 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 2a5c n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2a5c n GLU 43 N -4.35 0.00 -3.60 3.52 4.71 -1.26 -4.83 120.64 114.82 2a5c n GLU 43 Ca -0.30 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.45 2a5c n GLU 43 Cb 0.68 -0.58 -0.11 0.00 -1.01 0.00 0.00 31.44 30.42 2a5c n GLU 43 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 2a5c s ILE 44 N -0.24 4.64 0.37 -3.67 -4.36 -1.26 -4.59 121.20 112.10 2a5c s ILE 44 Ca 0.00 -0.70 -0.01 0.00 -0.26 0.00 0.00 60.65 59.68 2a5c s ILE 44 Cb 0.00 -3.52 -0.03 0.00 1.25 0.00 0.00 42.46 40.16 2a5c s ILE 44 CO 0.00 -0.14 0.60 -0.54 0.24 0.00 0.00 174.94 175.09 2a5c s LYS 45 N 1.58 3.51 -0.08 0.37 -0.14 -1.23 -4.98 119.74 118.77 2a5c s LYS 45 Ca 0.03 -0.21 0.01 0.00 -1.36 0.00 0.00 55.97 54.44 2a5c s LYS 45 Cb -0.18 -2.60 0.02 0.00 -1.68 0.00 0.00 37.83 33.38 2a5c s LYS 45 CO 0.07 0.08 -0.08 -2.00 -0.76 0.00 0.00 175.35 172.66 2a5c s GLU 46 N -4.35 1.37 0.06 1.68 2.12 -1.26 -2.87 118.70 115.45 2a5c s GLU 46 Ca 0.42 -0.25 0.07 0.00 0.36 0.00 0.00 54.97 55.57 2a5c s GLU 46 Cb -0.10 -1.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 2a5c s GLU 46 CO 0.37 -0.13 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.66 2a5c s SER 47 N 1.21 2.19 0.47 -1.70 0.01 0.09 -4.72 113.70 111.24 2a5c s SER 47 Ca -0.05 -0.56 -0.20 0.00 1.31 0.00 0.00 55.95 56.45 2a5c s SER 47 Cb -0.14 -0.14 -0.09 0.00 0.21 0.00 0.00 66.02 65.85 2a5c s SER 47 CO -0.02 0.07 0.99 -2.16 0.41 0.00 0.00 173.24 172.53 2a5c s PRO 48 N -1.44 4.01 0.13 12.44 0.05 -1.26 0.01 135.00 148.93 2a5c s PRO 48 Ca 0.05 1.18 0.05 0.00 0.05 0.00 0.00 61.00 62.32 2a5c s PRO 48 Cb -0.09 -2.14 -0.04 0.00 0.05 0.00 0.00 34.50 32.28 2a5c s PRO 48 CO 0.02 -0.23 -0.11 -0.48 0.05 0.00 0.00 177.00 176.25 2a5c s LEU 49 N -3.47 2.47 -0.16 -3.56 -0.00 -0.94 -2.68 118.68 110.33 2a5c s LEU 49 Ca 0.63 -0.91 -0.10 0.00 -0.00 0.00 0.00 54.13 53.75 2a5c s LEU 49 Cb -0.12 -0.38 0.05 0.00 -0.00 0.00 0.00 46.19 45.75 2a5c s LEU 49 CO 0.19 -0.27 0.40 -1.00 -0.00 0.00 0.00 176.35 175.66 2a5c s HIS 50 N -2.83 -0.56 0.09 3.48 3.76 -1.10 -1.55 115.29 116.58 2a5c s HIS 50 Ca 0.12 1.21 -0.03 0.00 -0.15 0.00 0.00 55.06 56.22 2a5c s HIS 50 Cb -0.01 0.23 0.01 0.00 1.11 0.00 0.00 32.58 33.93 2a5c s HIS 50 CO 0.01 -0.31 0.16 0.41 -0.85 0.00 0.00 174.74 174.16 2a5c n GLY 51 N 4.05 1.99 3.06 -2.22 0.00 -0.31 -1.61 105.19 110.15 2a5c n GLY 51 Ca -0.22 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 2a5c n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a5c s THR 52 N -2.74 0.09 -0.10 2.61 -4.23 -0.22 -2.00 115.64 109.05 2a5c s THR 52 Ca 0.04 -0.73 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2a5c s THR 52 Cb -0.01 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 2a5c s THR 52 CO 0.03 -0.40 -0.00 -0.70 -0.54 0.00 0.00 174.62 173.01 2a5c s GLU 53 N -1.35 3.09 0.11 3.99 2.12 0.64 -1.29 118.70 126.01 2a5c s GLU 53 Ca -0.15 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 54.46 2a5c s GLU 53 Cb -0.08 -2.82 -0.07 0.00 0.26 0.00 0.00 34.13 31.42 2a5c s GLU 53 CO 0.01 0.63 1.26 1.21 -0.54 0.00 0.00 175.26 177.83 2a5c s ASN 54 N -0.69 7.00 0.00 -1.70 3.84 -0.04 -4.49 114.94 118.86 2a5c s ASN 54 Ca 0.11 2.18 0.15 0.00 0.21 0.00 0.00 52.86 55.51 2a5c s ASN 54 Cb -0.12 -2.59 0.15 0.00 -0.55 0.00 0.00 41.25 38.15 2a5c s ASN 54 CO 0.02 -0.50 1.03 0.35 -2.79 0.00 0.00 177.10 175.21 2a5c n THR 55 N 3.50 0.10 -1.73 -5.21 -2.24 -1.26 -4.57 114.28 102.86 2a5c n THR 55 Ca 0.08 -0.55 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 2a5c n THR 55 Cb 0.45 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 2a5c n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2a5c s ILE 56 N -1.27 2.95 -1.24 2.28 -1.09 -1.26 -1.15 121.20 120.42 2a5c s ILE 56 Ca 0.20 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 2a5c s ILE 56 Cb 0.13 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.93 2a5c s ILE 56 CO 0.20 -0.01 0.00 0.59 -1.23 0.00 0.00 174.94 174.49 2a5c n ASN 57 N 6.88 -4.34 -3.62 3.58 3.02 -1.26 -4.20 115.26 115.32 2a5c n ASN 57 Ca 0.19 0.24 -0.20 0.00 -0.03 0.00 0.00 54.58 54.78 2a5c n ASN 57 Cb 0.40 -3.04 -0.04 0.00 -0.61 0.00 0.00 39.78 36.49 2a5c n ASN 57 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2a5c n LYS 58 N -2.55 -0.87 -1.76 3.52 5.02 -0.30 -4.79 118.16 116.43 2a5c n LYS 58 Ca -0.13 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.80 2a5c n LYS 58 Cb 0.44 -1.74 0.06 0.00 -0.02 0.00 0.00 35.03 33.77 2a5c n LYS 58 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2a5c s ARG 59 N -5.69 2.63 0.43 1.97 1.81 -1.26 -4.93 118.95 113.90 2a5c s ARG 59 Ca 0.07 1.80 0.23 0.00 -1.72 0.00 0.00 55.73 56.11 2a5c s ARG 59 Cb -0.04 -1.89 0.53 0.00 -0.45 0.00 0.00 34.95 33.10 2a5c s ARG 59 CO 0.56 -1.47 1.66 1.79 -0.68 0.00 0.00 175.30 177.16 2a5c h THR 60 N 0.38 0.24 -2.28 0.02 1.35 -1.91 -3.36 112.91 107.35 2a5c h THR 60 Ca -0.49 -1.18 -0.59 0.00 -0.55 0.00 0.00 66.41 63.59 2a5c h THR 60 Cb 1.30 1.98 -0.41 0.00 -1.73 0.00 0.00 68.15 69.29 2a5c h THR 60 CO 0.53 0.13 -0.79 0.00 -0.25 0.00 0.00 175.52 175.13 2a5c n GLN 61 N -3.16 1.60 -1.81 4.72 6.02 -1.26 -0.80 117.38 122.69 2a5c n GLN 61 Ca 0.03 -4.03 -0.31 0.00 -0.01 0.00 0.00 57.00 52.68 2a5c n GLN 61 Cb 0.52 -1.87 0.02 0.00 1.02 0.00 0.00 30.24 29.93 2a5c n GLN 61 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2a5c s PRO 62 N -1.64 3.41 0.49 -1.09 0.04 -1.26 -4.56 135.00 130.38 2a5c s PRO 62 Ca 0.35 0.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 2a5c s PRO 62 Cb 0.12 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2a5c s PRO 62 CO -0.09 -0.72 0.77 0.95 0.04 0.00 0.00 177.00 177.95 2a5c s THR 63 N -3.09 4.39 0.18 1.26 -4.23 -1.26 -1.62 115.64 111.27 2a5c s THR 63 Ca 0.56 -0.08 -0.20 0.00 -1.18 0.00 0.00 61.69 60.79 2a5c s THR 63 Cb -0.12 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.10 2a5c s THR 63 CO 0.53 -0.60 0.57 0.72 -0.54 0.00 0.00 174.62 175.30 2a5c s PHE 64 N -2.73 -0.32 0.04 3.99 -0.12 -0.32 -0.86 117.98 117.66 2a5c s PHE 64 Ca 0.49 0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 57.37 2a5c s PHE 64 Cb -0.10 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 2a5c s PHE 64 CO 0.42 -0.91 -0.00 0.20 -0.05 0.00 0.00 175.22 174.88 2a5c s GLY 65 N -2.82 0.33 0.09 1.99 0.00 -0.41 -1.87 107.32 104.63 2a5c s GLY 65 Ca 0.05 -0.87 -0.15 0.00 0.00 0.00 0.00 44.72 43.75 2a5c s GLY 65 CO -0.07 -0.97 0.35 -0.11 0.00 0.00 0.00 173.10 172.29 2a5c s PHE 66 N -2.84 -0.13 -0.11 1.90 -0.71 -0.20 -1.05 117.98 114.84 2a5c s PHE 66 Ca -0.03 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 55.75 2a5c s PHE 66 Cb 0.00 0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2a5c s PHE 66 CO -0.06 -0.61 -0.18 0.99 -1.34 0.00 0.00 175.22 174.02 2a5c s THR 67 N -3.35 2.60 -0.19 -4.49 2.01 -0.63 -0.22 115.64 111.36 2a5c s THR 67 Ca 0.00 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 2a5c s THR 67 Cb 0.01 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 2a5c s THR 67 CO -0.09 0.54 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.68 2a5c s VAL 68 N 0.31 3.79 -0.77 3.82 1.01 0.11 -2.71 120.40 125.95 2a5c s VAL 68 Ca -0.14 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 2a5c s VAL 68 Cb -0.17 -2.70 0.19 0.00 0.00 0.00 0.00 36.38 33.70 2a5c s VAL 68 CO 0.07 0.44 0.75 0.21 0.00 0.00 0.00 175.10 176.57 2a5c s ASN 69 N 0.92 6.62 0.21 3.32 3.04 -1.09 -1.50 114.94 126.46 2a5c s ASN 69 Ca 0.00 -2.41 -0.31 0.00 0.04 0.00 0.00 52.86 50.18 2a5c s ASN 69 Cb -0.14 -2.23 -0.11 0.00 -1.54 0.00 0.00 41.25 37.23 2a5c s ASN 69 CO 0.01 -0.69 1.57 0.26 -3.04 0.00 0.00 177.10 175.21 2a5c s TRP 70 N 0.76 2.97 0.00 0.43 0.52 -1.12 -4.31 118.94 118.20 2a5c s TRP 70 Ca 0.16 0.69 0.14 0.00 0.02 0.00 0.00 56.10 57.11 2a5c s TRP 70 Cb -0.14 -3.97 0.16 0.00 -1.15 0.00 0.00 33.47 28.38 2a5c s TRP 70 CO -0.06 -3.44 1.48 0.87 0.02 0.00 0.00 176.95 175.82 2a5c h LYS 71 N 6.07 0.00 -0.02 4.98 1.79 -1.90 -3.33 116.57 124.16 2a5c h LYS 71 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2a5c h LYS 71 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2a5c h LYS 71 CO 0.87 0.59 -0.28 1.97 -1.08 0.00 0.00 179.45 181.52 2a5c n PHE 72 N -3.35 0.00 -4.17 -1.35 1.16 -1.26 -4.97 117.46 103.51 2a5c n PHE 72 Ca 0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.44 2a5c n PHE 72 Cb 0.72 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.53 2a5c n PHE 72 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2a5c s SER 73 N -2.26 0.95 0.00 5.98 1.04 -1.25 -5.01 113.70 113.14 2a5c s SER 73 Ca 0.22 -1.51 0.12 0.00 0.48 0.00 0.00 55.95 55.26 2a5c s SER 73 Cb 0.19 0.57 0.61 0.00 0.10 0.00 0.00 66.02 67.49 2a5c s SER 73 CO 0.46 -1.12 1.41 -0.62 0.98 0.00 0.00 173.24 174.35 2a5c n GLU 74 N -0.51 1.22 -3.21 4.02 1.02 -1.26 -4.68 120.64 117.24 2a5c n GLU 74 Ca 0.03 -0.34 -0.26 0.00 -0.02 0.00 0.00 57.16 56.57 2a5c n GLU 74 Cb 0.63 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.81 2a5c n GLU 74 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2a5c s SER 75 N -1.33 6.34 -0.00 1.62 0.01 -1.26 -4.43 113.70 114.64 2a5c s SER 75 Ca 0.20 0.64 0.06 0.00 1.31 0.00 0.00 55.95 58.16 2a5c s SER 75 Cb 0.10 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 2a5c s SER 75 CO 0.15 -0.33 -0.20 -0.89 0.41 0.00 0.00 173.24 172.38 2a5c s THR 76 N -2.34 1.59 -0.03 1.44 2.01 -0.77 -2.79 115.64 114.75 2a5c s THR 76 Ca 0.43 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.57 2a5c s THR 76 Cb -0.10 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 2a5c s THR 76 CO 0.36 0.39 -0.26 -0.89 -0.69 0.00 0.00 174.62 173.53 2a5c s THR 77 N -0.55 2.05 -0.11 -0.82 2.01 -0.56 -0.40 115.64 117.26 2a5c s THR 77 Ca 0.08 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 60.98 2a5c s THR 77 Cb -0.08 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2a5c s THR 77 CO -0.00 0.58 -0.10 0.68 -0.69 0.00 0.00 174.62 175.09 2a5c s VAL 78 N -0.45 3.40 0.02 3.82 -7.23 -0.21 0.04 120.40 119.79 2a5c s VAL 78 Ca 0.05 -0.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 2a5c s VAL 78 Cb -0.11 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2a5c s VAL 78 CO 0.01 0.55 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.90 2a5c s PHE 79 N -0.12 2.84 0.00 2.82 0.40 0.69 -1.49 117.98 123.11 2a5c s PHE 79 Ca 0.00 -0.08 -0.07 0.00 -0.60 0.00 0.00 56.93 56.19 2a5c s PHE 79 Cb -0.13 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2a5c s PHE 79 CO 0.03 0.36 0.13 -0.08 0.70 0.00 0.00 175.22 176.36 2a5c s THR 80 N -1.01 0.08 -1.83 0.64 -1.32 0.84 -1.03 115.64 112.01 2a5c s THR 80 Ca 0.17 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 2a5c s THR 80 Cb -0.11 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 2a5c s THR 80 CO 0.08 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 2a5c n GLY 81 N 1.56 -0.55 2.97 6.08 0.00 -0.78 -0.72 105.19 113.75 2a5c n GLY 81 Ca -0.22 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 2a5c n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a5c s GLN 82 N -0.73 0.36 -0.48 1.61 0.74 -0.76 -1.17 119.66 119.23 2a5c s GLN 82 Ca 0.00 -0.34 -0.21 0.00 0.05 0.00 0.00 55.36 54.86 2a5c s GLN 82 Cb 0.00 -0.25 0.04 0.00 1.10 0.00 0.00 33.01 33.90 2a5c s GLN 82 CO 0.00 0.06 0.71 0.00 -0.55 0.00 0.00 175.29 175.51 2a5c s PHE 84 N 3.04 3.24 -0.48 0.00 0.08 0.64 -4.09 117.98 120.40 2a5c s PHE 84 Ca 0.23 0.00 -0.19 0.00 0.12 0.00 0.00 56.93 57.09 2a5c s PHE 84 Cb -0.15 -1.54 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 2a5c s PHE 84 CO 0.18 0.51 0.61 0.42 -0.10 0.00 0.00 175.22 176.84 2a5c s ILE 85 N -1.81 4.88 1.01 0.64 -1.09 -1.26 -0.75 121.20 122.82 2a5c s ILE 85 Ca 0.32 -0.31 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 2a5c s ILE 85 Cb -0.10 -4.25 0.20 0.00 -1.58 0.00 0.00 42.46 36.73 2a5c s ILE 85 CO 0.25 -0.71 1.09 -0.62 -1.23 0.00 0.00 174.94 173.71 2a5c s ASP 86 N 2.41 2.27 0.49 3.58 -1.08 -0.13 -4.83 116.67 119.39 2a5c s ASP 86 Ca 0.17 1.76 0.23 0.00 -0.52 0.00 0.00 52.55 54.19 2a5c s ASP 86 Cb -0.18 -2.37 1.28 0.00 -1.46 0.00 0.00 42.92 40.20 2a5c s ASP 86 CO 0.14 -3.43 1.95 0.03 0.52 0.00 0.00 175.17 174.37 2a5c h ARG 87 N -2.10 0.15 -0.01 4.34 3.08 -1.98 0.76 114.38 118.63 2a5c h ARG 87 Ca -0.52 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2a5c h ARG 87 Cb 1.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2a5c h ARG 87 CO 0.48 0.10 0.00 0.27 -1.07 0.00 0.00 179.97 179.75 2a5c n ASN 88 N -4.40 0.54 0.00 7.04 6.94 -1.26 -4.92 115.26 119.20 2a5c n ASN 88 Ca 0.13 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 2a5c n ASN 88 Cb 0.64 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 2a5c n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2a5c n GLY 89 N 1.05 3.15 3.76 4.83 0.00 0.26 -5.06 105.19 113.18 2a5c n GLY 89 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2a5c n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a5c s LYS 90 N -0.41 4.46 0.40 1.61 3.01 -1.26 -4.57 119.74 122.98 2a5c s LYS 90 Ca 0.00 2.05 -0.26 0.00 -1.01 0.00 0.00 55.97 56.76 2a5c s LYS 90 Cb 0.00 -3.12 -0.09 0.00 -1.01 0.00 0.00 37.83 33.61 2a5c s LYS 90 CO 0.00 -0.05 1.19 -1.21 0.51 0.00 0.00 175.35 175.79 2a5c s GLU 91 N -1.54 4.07 -0.09 1.68 2.02 -1.26 -0.96 118.70 122.61 2a5c s GLU 91 Ca 0.48 1.89 -0.06 0.00 0.02 0.00 0.00 54.97 57.30 2a5c s GLU 91 Cb -0.37 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.19 2a5c s GLU 91 CO 0.47 -0.32 0.23 0.54 0.02 0.00 0.00 175.26 176.20 2a5c s VAL 92 N -1.38 -0.02 -0.34 2.63 0.11 0.07 -4.50 120.40 116.97 2a5c s VAL 92 Ca 0.56 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 59.57 2a5c s VAL 92 Cb -0.32 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2a5c s VAL 92 CO 0.40 0.03 0.25 -0.76 -3.33 0.00 0.00 175.10 171.69 2a5c s LEU 93 N 0.73 4.52 -0.36 2.54 1.43 -0.38 -0.26 118.68 126.90 2a5c s LEU 93 Ca -0.05 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 2a5c s LEU 93 Cb -0.06 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 2a5c s LEU 93 CO -0.04 -0.24 0.50 -0.54 0.23 0.00 0.00 176.35 176.25 2a5c s LYS 94 N 1.74 3.57 0.18 1.70 -0.14 -0.95 -0.91 119.74 124.93 2a5c s LYS 94 Ca 0.06 -0.23 0.08 0.00 -1.36 0.00 0.00 55.97 54.52 2a5c s LYS 94 Cb -0.17 -3.82 -0.04 0.00 -1.68 0.00 0.00 37.83 32.11 2a5c s LYS 94 CO 0.11 -0.65 -0.16 0.95 -0.76 0.00 0.00 175.35 174.83 2a5c s THR 95 N 2.35 1.71 0.06 2.17 -4.23 0.55 -1.84 115.64 116.42 2a5c s THR 95 Ca 0.18 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 58.76 2a5c s THR 95 Cb -0.16 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 2a5c s THR 95 CO 0.13 -0.45 -0.23 -0.04 -0.54 0.00 0.00 174.62 173.49 2a5c s MET 96 N -3.13 1.48 0.20 3.99 -1.94 0.10 -1.48 119.30 118.52 2a5c s MET 96 Ca 0.17 -1.08 0.08 0.00 -1.71 0.00 0.00 55.69 53.15 2a5c s MET 96 Cb -0.04 -1.69 -0.05 0.00 2.01 0.00 0.00 34.83 35.07 2a5c s MET 96 CO 0.06 0.42 -0.15 1.67 -0.01 0.00 0.00 175.02 177.01 2a5c s TRP 97 N -0.89 1.73 -0.12 -0.03 1.48 -0.48 -0.11 118.94 120.51 2a5c s TRP 97 Ca 0.10 -0.55 0.02 0.00 -1.06 0.00 0.00 56.10 54.61 2a5c s TRP 97 Cb -0.10 -0.81 0.01 0.00 -1.16 0.00 0.00 33.47 31.42 2a5c s TRP 97 CO 0.03 0.35 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.59 2a5c s LEU 98 N -3.17 1.85 -0.30 -4.66 1.43 -0.56 -1.97 118.68 111.29 2a5c s LEU 98 Ca 0.21 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 2a5c s LEU 98 Cb -0.02 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.99 2a5c s LEU 98 CO 0.07 0.03 0.10 -0.22 0.23 0.00 0.00 176.35 176.56 2a5c s LEU 99 N 0.98 3.93 -0.19 1.79 2.96 0.66 -1.05 118.68 127.77 2a5c s LEU 99 Ca -0.06 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 2a5c s LEU 99 Cb -0.15 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2a5c s LEU 99 CO -0.03 -0.20 0.05 -0.60 -1.32 0.00 0.00 176.35 174.25 2a5c s ARG 100 N 1.52 3.89 0.14 1.98 6.06 0.46 -0.89 118.95 132.11 2a5c s ARG 100 Ca 0.03 -0.39 -0.02 0.00 -2.50 0.00 0.00 55.73 52.85 2a5c s ARG 100 Cb -0.17 -3.19 -0.05 0.00 0.06 0.00 0.00 34.95 31.60 2a5c s ARG 100 CO 0.03 0.21 0.33 -1.12 -2.50 0.00 0.00 175.30 172.25 2a5c s SER 101 N 0.53 6.42 -0.05 -2.12 0.01 0.07 -1.84 113.70 116.72 2a5c s SER 101 Ca 0.02 0.44 -0.30 0.00 1.31 0.00 0.00 55.95 57.42 2a5c s SER 101 Cb -0.13 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2a5c s SER 101 CO 0.01 0.06 1.06 -0.55 0.41 0.00 0.00 173.24 174.23 2a5c s SER 102 N -2.67 7.23 0.30 2.44 0.15 -1.26 -4.84 113.70 115.05 2a5c s SER 102 Ca 0.39 1.67 0.10 0.00 0.70 0.00 0.00 55.95 58.81 2a5c s SER 102 Cb -0.12 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2a5c s SER 102 CO 0.27 -0.42 -0.01 0.68 1.20 0.00 0.00 173.24 174.95 2a5c s VAL 103 N 1.66 3.01 -0.15 4.45 -7.23 -1.26 -5.05 120.40 115.84 2a5c s VAL 103 Ca 0.52 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 2a5c s VAL 103 Cb -0.21 -2.77 -0.24 0.00 0.56 0.00 0.00 36.38 33.72 2a5c s VAL 103 CO 0.23 -0.30 0.34 0.78 -0.31 0.00 0.00 175.10 175.84 2a5c h ASN 104 N 1.88 0.28 -3.27 4.85 2.35 -1.97 -3.46 115.58 116.24 2a5c h ASN 104 Ca -0.43 -0.80 -0.65 0.00 -0.55 0.00 0.00 56.30 53.87 2a5c h ASN 104 Cb 1.25 -0.09 -0.16 0.00 0.05 0.00 0.00 38.32 39.37 2a5c h ASN 104 CO 0.63 1.71 -0.61 -0.62 -1.65 0.00 0.00 177.43 176.89 2a5c s ASP 105 N -6.99 5.31 0.01 5.81 -1.08 -1.26 -4.97 116.67 113.50 2a5c s ASP 105 Ca -0.24 0.08 0.01 0.00 -0.52 0.00 0.00 52.55 51.87 2a5c s ASP 105 Cb 0.06 -1.72 0.03 0.00 -1.46 0.00 0.00 42.92 39.83 2a5c s ASP 105 CO 0.71 0.27 0.88 0.00 0.52 0.00 0.00 175.17 177.56 2a5c n ILE 106 N 2.86 1.44 0.24 4.11 3.06 -1.26 0.22 119.36 130.02 2a5c n ILE 106 Ca -0.18 0.51 0.14 0.00 -2.50 0.00 0.00 62.75 60.72 2a5c n ILE 106 Cb 0.53 -1.51 0.34 0.00 0.54 0.00 0.00 39.64 39.54 2a5c n ILE 106 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 2a5c h GLY 107 N 0.00 0.00 -1.56 4.50 0.00 -2.00 -3.16 103.07 100.85 2a5c h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a5c h GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2a5c n ASP 108 N -3.10 2.60 -0.33 0.19 8.00 0.13 -4.46 116.55 119.58 2a5c n ASP 108 Ca 0.03 -1.85 0.06 0.00 0.71 0.00 0.00 54.79 53.74 2a5c n ASP 108 Cb 0.46 -0.11 0.22 0.00 -0.02 0.00 0.00 41.12 41.66 2a5c n ASP 108 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2a5c h ASP 109 N 3.66 0.77 -0.53 -2.24 3.58 -1.60 -2.64 116.42 117.42 2a5c h ASP 109 Ca 0.00 0.06 0.15 0.00 0.42 0.00 0.00 57.03 57.66 2a5c h ASP 109 Cb 0.79 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2a5c h ASP 109 CO 0.00 0.40 0.50 4.11 -2.88 0.00 0.00 179.24 181.37 2a5c h TRP 110 N 0.85 0.00 -0.48 0.28 5.08 -1.84 -1.49 115.95 118.35 2a5c h TRP 110 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 2a5c h TRP 110 Cb 0.49 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.65 2a5c h TRP 110 CO -0.04 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.48 2a5c n LYS 111 N -3.87 3.54 0.00 0.12 2.85 -0.99 -4.59 118.16 115.21 2a5c n LYS 111 Ca 0.10 -2.78 0.12 0.00 -1.05 0.00 0.00 58.31 54.70 2a5c n LYS 111 Cb 0.71 -1.83 0.14 0.00 -0.65 0.00 0.00 35.03 33.41 2a5c n LYS 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2a5c n ALA 112 N 0.48 3.20 -4.06 0.58 0.00 -0.56 -4.82 120.51 115.32 2a5c n ALA 112 Ca 0.22 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 2a5c n ALA 112 Cb 0.86 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 19.25 2a5c n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2a5c s THR 113 N -2.37 2.07 0.30 0.00 2.01 -1.26 -0.76 115.64 115.63 2a5c s THR 113 Ca 0.23 -1.48 -0.05 0.00 0.31 0.00 0.00 61.69 60.70 2a5c s THR 113 Cb 0.19 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2a5c s THR 113 CO 0.50 0.05 0.56 -0.13 -0.69 0.00 0.00 174.62 174.91 2a5c s ARG 114 N 1.17 3.62 0.06 4.92 0.52 -0.07 -4.92 118.95 124.24 2a5c s ARG 114 Ca -0.07 -0.00 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 2a5c s ARG 114 Cb -0.19 -2.63 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 2a5c s ARG 114 CO -0.06 0.19 -0.12 0.54 0.02 0.00 0.00 175.30 175.87 2a5c s VAL 115 N -2.12 0.96 0.00 3.52 0.11 -1.26 -0.24 120.40 121.36 2a5c s VAL 115 Ca 0.44 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2a5c s VAL 115 Cb -0.11 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2a5c s VAL 115 CO 0.31 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 2a5c n GLY 116 N 1.44 1.66 3.27 6.54 0.00 -0.83 -5.00 105.19 112.26 2a5c n GLY 116 Ca -0.21 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 2a5c n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2a5c s ILE 117 N -2.05 0.83 -0.19 -0.61 -4.36 -1.26 -1.38 121.20 112.17 2a5c s ILE 117 Ca 0.00 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.23 2a5c s ILE 117 Cb 0.00 -2.18 0.05 0.00 1.25 0.00 0.00 42.46 41.58 2a5c s ILE 117 CO 0.00 -0.44 0.49 0.20 0.24 0.00 0.00 174.94 175.44 2a5c s ASN 118 N -3.22 -0.56 -0.15 4.36 0.01 -0.55 -4.88 114.94 109.96 2a5c s ASN 118 Ca 0.25 1.02 -0.01 0.00 -0.71 0.00 0.00 52.86 53.41 2a5c s ASN 118 Cb 0.06 0.99 -0.01 0.00 0.41 0.00 0.00 41.25 42.69 2a5c s ASN 118 CO 0.05 -0.18 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.72 2a5c s ILE 119 N 0.66 3.11 -0.06 0.60 1.01 -1.26 -0.33 121.20 124.92 2a5c s ILE 119 Ca -0.03 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.04 2a5c s ILE 119 Cb -0.05 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2a5c s ILE 119 CO -0.04 0.51 -0.21 -0.36 0.00 0.00 0.00 174.94 174.83 2a5c s PHE 120 N 0.59 2.55 0.25 3.97 0.40 -0.09 -2.63 117.98 123.02 2a5c s PHE 120 Ca -0.07 -0.57 0.09 0.00 -0.60 0.00 0.00 56.93 55.79 2a5c s PHE 120 Cb -0.15 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 2a5c s PHE 120 CO 0.03 -0.12 -0.16 0.95 0.70 0.00 0.00 175.22 176.63 2a5c s THR 121 N -0.24 2.05 0.36 0.64 -4.23 -0.22 -1.25 115.64 112.75 2a5c s THR 121 Ca -0.01 -2.28 -0.27 0.00 -1.18 0.00 0.00 61.69 57.95 2a5c s THR 121 Cb -0.13 -2.22 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 2a5c s THR 121 CO 0.03 -0.47 1.24 -0.13 -0.54 0.00 0.00 174.62 174.75 2a5c s ARG 122 N -3.60 4.20 0.00 3.99 0.52 -1.26 -0.49 118.95 122.32 2a5c s ARG 122 Ca 0.27 2.03 0.20 0.00 -0.52 0.00 0.00 55.73 57.71 2a5c s ARG 122 Cb -0.02 -2.89 1.21 0.00 0.52 0.00 0.00 34.95 33.78 2a5c s ARG 122 CO 0.11 -0.25 1.60 -0.11 0.02 0.00 0.00 175.30 176.67