#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpu n ASP 2 N 0.00 -6.02 -0.07 4.31 5.75 -1.26 -5.02 116.55 114.24 3fpu n ASP 2 Ca 0.00 0.77 -0.15 0.00 -0.01 0.00 0.00 54.79 55.40 3fpu n ASP 2 Cb 0.00 -3.02 -0.05 0.00 -1.03 0.00 0.00 41.12 37.02 3fpu n ASP 2 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3fpu n ASP 3 N 0.76 1.08 -4.76 -1.12 8.00 -1.26 -4.95 116.55 114.31 3fpu n ASP 3 Ca 0.00 0.19 -0.39 0.00 0.71 0.00 0.00 54.79 55.29 3fpu n ASP 3 Cb 0.00 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.60 3fpu n ASP 3 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3fpu s GLU 4 N -2.29 4.72 -0.03 -1.24 8.01 -1.26 -5.03 118.70 121.58 3fpu s GLU 4 Ca -0.20 1.52 -0.01 0.00 0.01 0.00 0.00 54.97 56.28 3fpu s GLU 4 Cb 0.08 -3.12 -0.00 0.00 -4.31 0.00 0.00 34.13 26.77 3fpu s GLU 4 CO 0.26 0.37 -0.02 -0.44 0.01 0.00 0.00 175.26 175.44 3fpu h ASP 5 N 3.79 0.00 0.00 -0.19 5.19 -1.99 -3.45 116.42 119.77 3fpu h ASP 5 Ca -0.46 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.85 3fpu h ASP 5 Cb 1.20 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.49 3fpu h ASP 5 CO 0.67 0.18 -0.77 -1.22 -3.12 0.00 0.00 179.24 174.97 3fpu n TYR 6 N -2.87 0.00 -0.03 4.55 4.01 -1.26 -4.98 117.16 116.58 3fpu n TYR 6 Ca -0.01 -0.67 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 3fpu n TYR 6 Cb 0.03 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 3fpu n TYR 6 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fpu n GLY 7 N -0.05 -1.57 3.74 2.72 0.00 -1.26 -5.01 105.19 103.77 3fpu n GLY 7 Ca 0.08 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 3fpu n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fpu s ASP 8 N -1.30 4.75 0.33 1.61 2.15 -1.26 -4.91 116.67 118.05 3fpu s ASP 8 Ca 0.00 2.27 0.05 0.00 0.43 0.00 0.00 52.55 55.29 3fpu s ASP 8 Cb 0.00 -2.58 0.68 0.00 -0.30 0.00 0.00 42.92 40.71 3fpu s ASP 8 CO 0.00 -1.88 1.90 0.25 -0.17 0.00 0.00 175.17 175.27 3fpu h LEU 9 N 0.16 0.77 0.00 -1.34 5.85 -1.94 -3.47 115.31 115.34 3fpu h LEU 9 Ca -0.48 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3fpu h LEU 9 Cb 1.28 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3fpu h LEU 9 CO 0.53 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.69 3fpu n GLY 10 N -1.41 0.88 3.53 3.75 0.00 -1.26 -4.94 105.19 105.73 3fpu n GLY 10 Ca 0.15 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 3fpu n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fpu n GLY 11 N 0.00 -0.38 3.66 -0.02 0.00 -1.26 -4.92 105.19 102.27 3fpu n GLY 11 Ca 0.00 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3fpu n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fpu s PRO 13 N 4.09 3.74 -0.25 0.00 0.02 -1.26 -5.02 135.00 136.33 3fpu s PRO 13 Ca 0.74 1.44 -0.10 0.00 0.02 0.00 0.00 61.00 63.10 3fpu s PRO 13 Cb -0.33 -2.12 -0.05 0.00 0.02 0.00 0.00 34.50 32.02 3fpu s PRO 13 CO 0.30 -0.50 0.14 -0.06 -0.33 0.00 0.00 177.00 176.55 3fpu s PHE 14 N -1.90 3.23 0.37 6.54 0.08 -1.26 -4.96 117.98 120.09 3fpu s PHE 14 Ca 0.68 0.06 -0.28 0.00 0.12 0.00 0.00 56.93 57.50 3fpu s PHE 14 Cb -0.19 -2.28 -0.11 0.00 -0.57 0.00 0.00 43.02 39.87 3fpu s PHE 14 CO 0.22 -0.08 1.46 1.28 -0.10 0.00 0.00 175.22 178.01 3fpu n LEU 15 N 4.60 4.64 -4.31 -0.37 4.77 -1.26 -4.96 117.00 120.12 3fpu n LEU 15 Ca -0.15 1.22 -0.18 0.00 -0.03 0.00 0.00 56.01 56.87 3fpu n LEU 15 Cb 0.52 -1.60 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 3fpu n LEU 15 CO 0.34 0.08 -0.45 0.68 -1.33 0.00 0.00 177.39 176.71 3fpu s VAL 16 N -1.12 1.58 0.27 4.08 -7.23 -1.26 -2.47 120.40 114.25 3fpu s VAL 16 Ca 0.54 -2.03 0.09 0.00 -1.81 0.00 0.00 61.98 58.76 3fpu s VAL 16 Cb -0.49 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 3fpu s VAL 16 CO 0.64 -0.53 0.07 0.00 -0.31 0.00 0.00 175.10 174.96 3fpu s ALA 17 N -2.68 3.31 0.24 1.32 0.00 -0.60 -4.71 121.76 118.64 3fpu s ALA 17 Ca 0.17 -1.61 0.10 0.00 0.00 0.00 0.00 51.96 50.63 3fpu s ALA 17 Cb -0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 3fpu s ALA 17 CO 0.05 0.24 -0.18 -1.21 0.00 0.00 0.00 175.76 174.66 3fpu s GLU 18 N -3.74 1.50 0.44 0.00 2.02 0.67 -1.15 118.70 118.44 3fpu s GLU 18 Ca 0.33 -1.66 -0.03 0.00 0.02 0.00 0.00 54.97 53.63 3fpu s GLU 18 Cb -0.06 -1.49 0.09 0.00 0.10 0.00 0.00 34.13 32.77 3fpu s GLU 18 CO 0.22 0.27 0.60 0.27 0.02 0.00 0.00 175.26 176.64 3fpu n ASN 19 N -0.40 0.49 -0.13 -0.19 0.23 -0.36 -0.21 115.26 114.70 3fpu n ASN 19 Ca -0.07 -1.49 0.09 0.00 -0.53 0.00 0.00 54.58 52.57 3fpu n ASN 19 Cb 0.60 -0.42 0.42 0.00 -2.08 0.00 0.00 39.78 38.30 3fpu n ASN 19 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3fpu h LYS 20 N 0.00 0.58 -0.08 -3.83 3.64 -1.92 -0.38 116.57 114.58 3fpu h LYS 20 Ca -0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3fpu h LYS 20 Cb 0.65 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3fpu h LYS 20 CO 0.18 0.38 0.00 -2.37 -2.27 0.00 0.00 179.45 175.37 3fpu n THR 21 N -4.48 0.09 -0.01 1.00 5.66 -1.26 -4.93 114.28 110.35 3fpu n THR 21 Ca 0.10 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 3fpu n THR 21 Cb 0.27 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 3fpu n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3fpu n GLY 22 N 1.15 0.68 3.68 1.09 0.00 -0.15 -5.05 105.19 106.60 3fpu n GLY 22 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fpu n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fpu s TYR 23 N -2.02 3.04 0.21 1.61 5.04 -1.26 -4.68 117.35 119.29 3fpu s TYR 23 Ca 0.00 1.06 -0.05 0.00 -2.44 0.00 0.00 57.07 55.64 3fpu s TYR 23 Cb 0.00 -3.51 -0.05 0.00 0.35 0.00 0.00 41.96 38.75 3fpu s TYR 23 CO 0.00 -1.73 0.45 -1.25 -1.34 0.00 0.00 175.55 171.68 3fpu s PRO 24 N 2.41 3.63 -0.02 4.97 0.04 -1.26 -1.22 135.00 143.55 3fpu s PRO 24 Ca 0.58 -0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.55 3fpu s PRO 24 Cb -0.27 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.54 3fpu s PRO 24 CO 0.23 0.36 0.03 0.99 0.04 0.00 0.00 177.00 178.64 3fpu s THR 25 N -1.85 -0.04 0.58 1.26 2.01 -0.30 -4.98 115.64 112.32 3fpu s THR 25 Ca 0.42 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.38 3fpu s THR 25 Cb -0.11 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 3fpu s THR 25 CO 0.27 0.06 1.09 0.27 -0.69 0.00 0.00 174.62 175.61 3fpu s ILE 26 N 0.69 3.48 -1.94 1.82 -4.36 -1.26 -1.55 121.20 118.08 3fpu s ILE 26 Ca -0.06 0.80 0.19 0.00 -0.26 0.00 0.00 60.65 61.32 3fpu s ILE 26 Cb -0.08 -3.30 0.04 0.00 1.25 0.00 0.00 42.46 40.37 3fpu s ILE 26 CO -0.02 -0.32 1.00 1.33 0.24 0.00 0.00 174.94 177.17 3fpu n VAL 27 N -1.72 0.00 -3.76 8.37 0.24 -1.03 -0.78 118.33 119.65 3fpu n VAL 27 Ca 0.10 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 3fpu n VAL 27 Cb 0.52 1.28 -0.09 0.00 -1.47 0.00 0.00 33.84 34.07 3fpu n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fpu s ALA 28 N -1.99 -0.83 -2.62 2.33 0.00 -1.26 -1.08 121.76 116.31 3fpu s ALA 28 Ca 0.18 0.63 0.25 0.00 0.00 0.00 0.00 51.96 53.02 3fpu s ALA 28 Cb 0.15 -0.22 0.67 0.00 0.00 0.00 0.00 23.12 23.73 3fpu s ALA 28 CO 0.40 -0.22 1.53 0.00 0.00 0.00 0.00 175.76 177.47 3fpu s LYS 30 N -1.92 0.20 -0.01 0.00 -2.85 -1.22 -1.42 119.74 112.51 3fpu s LYS 30 Ca 0.34 -0.12 0.04 0.00 -1.00 0.00 0.00 55.97 55.23 3fpu s LYS 30 Cb 0.20 0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 3fpu s LYS 30 CO 0.31 -0.04 -0.12 -0.65 0.10 0.00 0.00 175.35 174.95 3fpu s GLN 31 N -0.49 1.07 -0.10 1.78 -1.52 0.10 -4.97 119.66 115.53 3fpu s GLN 31 Ca -0.06 -0.44 -0.02 0.00 -1.95 0.00 0.00 55.36 52.89 3fpu s GLN 31 Cb -0.04 -1.02 -0.03 0.00 -0.22 0.00 0.00 33.01 31.70 3fpu s GLN 31 CO 0.00 0.25 -0.01 0.34 -0.25 0.00 0.00 175.29 175.62 3fpu s ASP 32 N -0.19 5.12 -0.14 5.90 -1.08 -1.26 -0.84 116.67 124.17 3fpu s ASP 32 Ca 0.03 0.08 -0.05 0.00 -0.52 0.00 0.00 52.55 52.09 3fpu s ASP 32 Cb -0.06 -1.50 0.07 0.00 -1.46 0.00 0.00 42.92 39.97 3fpu s ASP 32 CO -0.00 0.34 0.30 0.00 0.52 0.00 0.00 175.17 176.33 3fpu n ASN 34 N 5.26 0.00 -0.05 0.00 5.03 -1.26 -1.20 115.26 123.04 3fpu n ASN 34 Ca -0.08 0.00 0.15 0.00 0.87 0.00 0.00 54.58 55.52 3fpu n ASN 34 Cb 0.50 0.00 0.80 0.00 -1.02 0.00 0.00 39.78 40.06 3fpu n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fpu n GLY 35 N 0.00 -1.01 3.86 7.41 0.00 -1.26 -4.91 105.19 109.28 3fpu n GLY 35 Ca 0.00 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3fpu n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fpu s THR 36 N -2.26 5.04 -0.01 2.61 2.01 -0.34 -5.09 115.64 117.59 3fpu s THR 36 Ca 0.38 0.57 0.04 0.00 0.31 0.00 0.00 61.69 62.99 3fpu s THR 36 Cb 0.21 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 3fpu s THR 36 CO 0.41 0.31 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.64 3fpu s THR 37 N -1.38 0.95 0.02 -0.82 2.01 -1.26 -0.65 115.64 114.51 3fpu s THR 37 Ca 0.33 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.87 3fpu s THR 37 Cb -0.14 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 3fpu s THR 37 CO 0.18 0.27 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.52 3fpu s GLU 38 N -0.28 1.15 -0.07 4.92 2.12 -0.02 -4.97 118.70 121.55 3fpu s GLU 38 Ca 0.05 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.70 3fpu s GLU 38 Cb -0.05 -1.15 -0.03 0.00 0.26 0.00 0.00 34.13 33.16 3fpu s GLU 38 CO -0.00 0.30 -0.08 0.95 -0.54 0.00 0.00 175.26 175.89 3fpu s THR 39 N -0.61 3.64 0.64 -1.70 -4.23 -1.26 -0.72 115.64 111.39 3fpu s THR 39 Ca 0.05 -0.50 -0.16 0.00 -1.18 0.00 0.00 61.69 59.89 3fpu s THR 39 Cb -0.07 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 3fpu s THR 39 CO 0.00 0.59 1.13 0.00 -0.54 0.00 0.00 174.62 175.81 3fpu s ALA 40 N -0.75 2.49 0.54 3.99 0.00 -0.51 -4.96 121.76 122.57 3fpu s ALA 40 Ca 0.12 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 3fpu s ALA 40 Cb -0.11 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3fpu s ALA 40 CO 0.01 -1.21 1.28 -2.30 0.00 0.00 0.00 175.76 173.54 3fpu n PRO 41 N -2.16 1.56 -1.74 0.00 -0.02 -1.26 -4.67 135.00 126.71 3fpu n PRO 41 Ca 0.11 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 3fpu n PRO 41 Cb 0.51 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3fpu n PRO 41 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fpu n ASN 42 N -0.85 3.28 0.00 2.55 3.02 -1.26 -2.21 115.26 119.79 3fpu n ASN 42 Ca 0.11 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 3fpu n ASN 42 Cb 0.44 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.05 3fpu n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fpu n GLY 43 N 0.60 2.17 3.72 7.41 0.00 0.30 -4.94 105.19 114.45 3fpu n GLY 43 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3fpu n GLY 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fpu n THR 44 N -2.00 1.49 -1.88 2.61 -1.04 -0.94 -4.60 114.28 107.92 3fpu n THR 44 Ca 0.00 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 3fpu n THR 44 Cb 0.00 -1.75 -0.00 0.00 -1.82 0.00 0.00 70.33 66.76 3fpu n THR 44 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3fpu s ARG 45 N -1.21 4.10 0.05 -2.82 0.52 -1.26 -1.00 118.95 117.33 3fpu s ARG 45 Ca 0.60 2.46 -0.09 0.00 -0.52 0.00 0.00 55.73 58.19 3fpu s ARG 45 Cb -0.55 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 31.98 3fpu s ARG 45 CO 0.56 -0.49 0.18 0.00 0.02 0.00 0.00 175.30 175.56 3fpu s PHE 47 N -2.84 3.49 -1.29 0.00 0.08 0.04 0.45 117.98 117.91 3fpu s PHE 47 Ca -0.03 0.46 -0.07 0.00 0.12 0.00 0.00 56.93 57.41 3fpu s PHE 47 Cb 0.00 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3fpu s PHE 47 CO -0.05 0.45 2.62 -1.13 -0.10 0.00 0.00 175.22 177.00 3fpu n SER 48 N 2.94 8.04 -0.00 1.36 3.41 -0.28 -4.24 113.62 124.84 3fpu n SER 48 Ca -0.17 -2.97 0.05 0.00 -0.26 0.00 0.00 58.87 55.52 3fpu n SER 48 Cb 0.53 -1.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.00 3fpu n SER 48 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3fpu n ILE 49 N 2.18 0.00 0.00 -1.33 -5.35 -1.25 -4.86 119.36 108.75 3fpu n ILE 49 Ca 0.65 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.91 3fpu n ILE 49 Cb 0.29 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 3fpu n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fpu n GLY 50 N 1.93 -2.48 0.27 3.28 0.00 -0.25 -2.88 105.19 105.07 3fpu n GLY 50 Ca -0.02 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 3fpu n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fpu h ASP 51 N 0.00 0.67 -0.15 1.61 3.45 -1.97 -2.00 116.42 118.02 3fpu h ASP 51 Ca 0.00 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.37 3fpu h ASP 51 Cb 0.00 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 3fpu h ASP 51 CO 0.00 0.45 -0.26 -0.33 -1.57 0.00 0.00 179.24 177.53 3fpu h GLU 52 N 0.80 0.62 -0.50 3.56 4.39 -1.97 -0.22 114.58 121.26 3fpu h GLU 52 Ca 0.30 -0.25 0.09 0.00 0.34 0.00 0.00 59.36 59.85 3fpu h GLU 52 Cb 0.11 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.65 3fpu h GLU 52 CO -0.15 0.82 0.03 0.78 -1.16 0.00 0.00 179.01 179.33 3fpu h GLY 53 N 1.00 0.54 0.97 -3.84 0.00 -1.38 -1.69 103.07 98.69 3fpu h GLY 53 Ca 0.07 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 3fpu h GLY 53 CO 0.06 -0.12 -0.12 -2.00 0.00 0.00 0.00 176.54 174.36 3fpu h LEU 54 N 0.15 0.75 -2.17 3.11 5.85 -0.82 -2.76 115.31 119.42 3fpu h LEU 54 Ca 0.25 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3fpu h LEU 54 Cb 0.37 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3fpu h LEU 54 CO -0.39 0.96 -0.03 0.03 -0.34 0.00 0.00 178.44 178.67 3fpu h ARG 55 N 0.54 0.00 0.00 1.25 3.08 -0.82 -2.13 114.38 116.30 3fpu h ARG 55 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3fpu h ARG 55 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3fpu h ARG 55 CO 0.04 0.03 -0.15 -0.09 -1.07 0.00 0.00 179.97 178.73 3fpu h ARG 56 N 0.00 0.00 -6.76 0.04 2.43 -1.02 -3.46 114.38 105.61 3fpu h ARG 56 Ca -0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 3fpu h ARG 56 Cb 0.27 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3fpu h ARG 56 CO 0.00 0.00 0.47 -1.64 -1.51 0.00 0.00 179.97 177.30 3fpu s MET 57 N -3.20 4.63 0.14 0.20 -1.94 -0.80 -5.00 119.30 113.34 3fpu s MET 57 Ca 0.07 1.77 -0.31 0.00 -1.71 0.00 0.00 55.69 55.51 3fpu s MET 57 Cb 0.08 -3.22 -0.09 0.00 2.01 0.00 0.00 34.83 33.61 3fpu s MET 57 CO 0.67 0.18 1.46 0.99 -0.01 0.00 0.00 175.02 178.31 3fpu s THR 58 N -0.86 2.99 0.40 2.05 2.01 -1.26 -4.95 115.64 116.02 3fpu s THR 58 Ca 0.46 0.72 -0.27 0.00 0.31 0.00 0.00 61.69 62.90 3fpu s THR 58 Cb -0.31 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 3fpu s THR 58 CO 0.39 0.06 1.47 0.00 -0.69 0.00 0.00 174.62 175.85 3fpu n ALA 59 N 3.86 2.26 -1.36 7.40 0.00 -1.26 -3.42 120.51 127.98 3fpu n ALA 59 Ca 0.12 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.75 3fpu n ALA 59 Cb 0.41 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.39 3fpu n ALA 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fpu n ASN 60 N 0.25 -4.49 -4.49 0.00 3.02 0.59 -4.96 115.26 105.19 3fpu n ASN 60 Ca 0.03 0.30 -0.29 0.00 -0.03 0.00 0.00 54.58 54.59 3fpu n ASN 60 Cb 0.40 -3.07 -0.11 0.00 -0.61 0.00 0.00 39.78 36.39 3fpu n ASN 60 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fpu s LEU 61 N -2.79 2.69 0.20 3.41 1.43 -1.22 -5.02 118.68 117.38 3fpu s LEU 61 Ca 0.00 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 3fpu s LEU 61 Cb 0.00 -1.52 -0.08 0.00 0.03 0.00 0.00 46.19 44.61 3fpu s LEU 61 CO 0.00 0.17 1.14 -2.16 0.23 0.00 0.00 176.35 175.73 3fpu s PRO 62 N -2.18 4.56 0.20 1.29 0.04 -1.26 -4.49 135.00 133.16 3fpu s PRO 62 Ca 0.18 1.80 0.09 0.00 0.04 0.00 0.00 61.00 63.11 3fpu s PRO 62 Cb -0.10 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 3fpu s PRO 62 CO 0.10 0.04 -0.17 0.71 0.04 0.00 0.00 177.00 177.72 3fpu s TYR 63 N -0.37 1.88 -0.35 0.56 2.02 0.09 -4.95 117.35 116.23 3fpu s TYR 63 Ca 0.50 -0.48 -0.18 0.00 -0.37 0.00 0.00 57.07 56.53 3fpu s TYR 63 Cb -0.31 -0.88 -0.00 0.00 -0.40 0.00 0.00 41.96 40.36 3fpu s TYR 63 CO 0.37 0.42 0.53 -0.51 -1.57 0.00 0.00 175.55 174.79 3fpu s ASP 64 N -3.10 6.33 -0.24 2.29 1.01 -1.26 -0.64 116.67 121.06 3fpu s ASP 64 Ca 0.21 -0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.41 3fpu s ASP 64 Cb -0.04 -2.27 -0.01 0.00 1.01 0.00 0.00 42.92 41.62 3fpu s ASP 64 CO 0.08 -0.50 -0.01 0.00 0.21 0.00 0.00 175.17 174.96 3fpu s PRO 66 N 1.49 4.29 0.04 0.00 0.02 -1.26 -1.29 135.00 138.28 3fpu s PRO 66 Ca 0.05 2.14 -0.12 0.00 0.02 0.00 0.00 61.00 63.09 3fpu s PRO 66 Cb -0.15 -3.29 -0.06 0.00 0.02 0.00 0.00 34.50 31.03 3fpu s PRO 66 CO -0.02 -0.51 0.40 -1.17 -0.33 0.00 0.00 177.00 175.37 3fpu s LEU 67 N 1.35 4.40 0.00 -5.54 2.96 -0.37 -1.12 118.68 120.37 3fpu s LEU 67 Ca 0.66 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 3fpu s LEU 67 Cb -0.38 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.53 3fpu s LEU 67 CO 0.30 0.25 0.00 0.61 -1.32 0.00 0.00 176.35 176.19 3fpu n GLY 68 N 1.33 3.77 3.14 7.98 0.00 0.17 -1.16 105.19 120.43 3fpu n GLY 68 Ca -0.11 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.22 3fpu n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fpu s GLN 69 N -1.59 0.88 0.31 1.61 -0.21 -0.90 -1.74 119.66 118.02 3fpu s GLN 69 Ca 0.00 -0.79 -0.28 0.00 0.02 0.00 0.00 55.36 54.32 3fpu s GLN 69 Cb 0.00 -0.88 -0.09 0.00 1.00 0.00 0.00 33.01 33.03 3fpu s GLN 69 CO 0.00 0.21 1.05 0.00 -2.12 0.00 0.00 175.29 174.43 3fpu s SER 71 N -1.18 0.46 -1.28 0.00 1.04 0.44 -0.54 113.70 112.64 3fpu s SER 71 Ca 0.48 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 57.00 3fpu s SER 71 Cb -0.27 0.96 -0.00 0.00 0.10 0.00 0.00 66.02 66.80 3fpu s SER 71 CO 0.35 -0.30 0.60 0.59 0.98 0.00 0.00 173.24 175.46 3fpu n ASN 72 N 5.36 -2.61 0.00 7.02 3.02 -1.26 -2.08 115.26 124.71 3fpu n ASN 72 Ca -0.04 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 3fpu n ASN 72 Cb 0.50 -3.15 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 3fpu n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fpu n GLY 73 N -1.85 0.90 3.30 7.41 0.00 -1.26 -5.01 105.19 108.68 3fpu n GLY 73 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3fpu n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fpu s ASP 74 N -2.89 3.00 -0.37 1.61 1.01 -0.88 -3.44 116.67 114.71 3fpu s ASP 74 Ca 0.00 -0.46 -0.22 0.00 0.71 0.00 0.00 52.55 52.58 3fpu s ASP 74 Cb 0.00 -0.36 0.01 0.00 1.01 0.00 0.00 42.92 43.58 3fpu s ASP 74 CO 0.00 0.31 0.70 0.00 0.21 0.00 0.00 175.17 176.39 3fpu s ILE 76 N 2.89 5.14 0.40 0.00 1.09 -0.43 -4.90 121.20 125.38 3fpu s ILE 76 Ca 0.27 -0.26 -0.25 0.00 -1.10 0.00 0.00 60.65 59.31 3fpu s ILE 76 Cb -0.14 -3.63 -0.11 0.00 -1.06 0.00 0.00 42.46 37.52 3fpu s ILE 76 CO 0.16 0.01 1.12 -2.65 -0.10 0.00 0.00 174.94 173.48 3fpu n PRO 77 N 5.08 1.61 -0.48 2.79 -0.02 -1.26 -2.13 135.00 140.58 3fpu n PRO 77 Ca -0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3fpu n PRO 77 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3fpu n PRO 77 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fpu n LYS 78 N 0.21 2.40 -0.35 -0.52 5.02 -0.31 -4.89 118.16 119.72 3fpu n LYS 78 Ca 0.08 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.46 3fpu n LYS 78 Cb 0.38 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.66 3fpu n LYS 78 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fpu n GLU 79 N -0.32 2.57 -4.40 1.97 -0.58 -1.26 -4.85 120.64 113.78 3fpu n GLU 79 Ca 0.00 -2.21 -0.25 0.00 -0.42 0.00 0.00 57.16 54.28 3fpu n GLU 79 Cb 0.00 -1.53 -0.10 0.00 -0.57 0.00 0.00 31.44 29.24 3fpu n GLU 79 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fpu s THR 80 N -1.32 2.76 0.12 2.62 -4.23 -1.26 -5.06 115.64 109.27 3fpu s THR 80 Ca 0.41 -2.12 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3fpu s THR 80 Cb 0.22 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 3fpu s THR 80 CO 0.26 -0.30 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.60 3fpu s TYR 81 N -2.18 1.38 0.05 3.99 2.02 -1.26 -1.23 117.35 120.11 3fpu s TYR 81 Ca 0.28 -0.56 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3fpu s TYR 81 Cb -0.06 -0.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.75 3fpu s TYR 81 CO 0.15 0.13 -0.10 -1.21 -1.57 0.00 0.00 175.55 172.95 3fpu s GLU 82 N -2.70 0.65 0.09 -0.62 2.02 -0.41 -4.90 118.70 112.84 3fpu s GLU 82 Ca 0.09 -0.80 -0.31 0.00 0.02 0.00 0.00 54.97 53.97 3fpu s GLU 82 Cb -0.05 -0.52 -0.07 0.00 0.10 0.00 0.00 34.13 33.60 3fpu s GLU 82 CO 0.03 0.11 1.33 0.08 0.02 0.00 0.00 175.26 176.83 3fpu s VAL 83 N -1.26 3.53 0.12 2.63 1.01 -1.26 -0.93 120.40 124.25 3fpu s VAL 83 Ca -0.06 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 3fpu s VAL 83 Cb -0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3fpu s VAL 83 CO 0.01 0.08 0.03 0.00 0.00 0.00 0.00 175.10 175.22 3fpu s TYR 85 N -3.95 0.49 -0.12 0.00 2.02 0.71 -0.73 117.35 115.78 3fpu s TYR 85 Ca 0.21 -0.16 -0.24 0.00 -0.37 0.00 0.00 57.07 56.51 3fpu s TYR 85 Cb 0.07 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.29 3fpu s TYR 85 CO 0.00 -0.02 0.74 0.50 -1.57 0.00 0.00 175.55 175.20 3fpu s ARG 86 N -0.37 4.36 0.08 -0.62 3.52 -1.26 -0.23 118.95 124.42 3fpu s ARG 86 Ca -0.00 0.89 0.08 0.00 -0.13 0.00 0.00 55.73 56.58 3fpu s ARG 86 Cb -0.03 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 3fpu s ARG 86 CO -0.00 -0.11 -0.20 1.03 -0.81 0.00 0.00 175.30 175.22 3fpu s ARG 87 N 1.39 1.87 0.43 5.12 1.81 -1.26 -0.30 118.95 128.01 3fpu s ARG 87 Ca 0.37 -1.11 0.07 0.00 -1.72 0.00 0.00 55.73 53.34 3fpu s ARG 87 Cb -0.17 -2.11 -0.03 0.00 -0.45 0.00 0.00 34.95 32.19 3fpu s ARG 87 CO 0.15 0.51 0.31 -0.80 -0.68 0.00 0.00 175.30 174.79 3fpu s ASN 88 N -1.75 4.80 0.38 0.23 0.01 -1.26 -5.01 114.94 112.34 3fpu s ASN 88 Ca 0.16 -0.91 0.11 0.00 -0.71 0.00 0.00 52.86 51.50 3fpu s ASN 88 Cb -0.10 -0.44 0.88 0.00 0.41 0.00 0.00 41.25 41.99 3fpu s ASN 88 CO 0.07 -0.66 1.90 -0.50 -1.51 0.00 0.00 177.10 176.39 3fpu h TRP 89 N 1.13 0.71 -0.49 2.20 4.06 -2.01 0.05 115.95 121.60 3fpu h TRP 89 Ca -0.41 0.02 0.14 0.00 2.06 0.00 0.00 58.89 60.69 3fpu h TRP 89 Cb 1.26 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.18 3fpu h TRP 89 CO 0.60 0.28 0.35 -0.09 -3.56 0.00 0.00 178.44 176.02 3fpu h ARG 90 N 0.62 0.03 0.00 0.49 2.43 -1.98 -0.93 114.38 115.04 3fpu h ARG 90 Ca 0.40 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 3fpu h ARG 90 Cb 0.69 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3fpu h ARG 90 CO -0.16 0.02 0.00 -0.25 -1.51 0.00 0.00 179.97 178.07 3fpu n ASP 91 N -4.40 0.35 -0.00 -3.80 8.00 0.00 -3.21 116.55 113.49 3fpu n ASP 91 Ca 0.09 0.57 0.05 0.00 0.71 0.00 0.00 54.79 56.21 3fpu n ASP 91 Cb 0.54 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.93 3fpu n ASP 91 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3fpu n LYS 92 N -1.87 3.26 -3.03 -1.24 4.76 -0.36 -5.04 118.16 114.65 3fpu n LYS 92 Ca 0.04 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.24 3fpu n LYS 92 Cb 0.26 -1.03 0.01 0.00 -1.84 0.00 0.00 35.03 32.43 3fpu n LYS 92 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3fpu s LYS 93 N -2.06 3.12 0.78 1.97 -2.85 -1.19 -5.05 119.74 114.46 3fpu s LYS 93 Ca 0.04 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 3fpu s LYS 93 Cb 0.09 -2.57 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 3fpu s LYS 93 CO 0.46 -0.22 0.00 0.09 0.10 0.00 0.00 175.35 175.78 3fpu n ASN 94 N -2.04 -5.78 -3.23 0.03 3.02 -1.26 -4.88 115.26 101.11 3fpu n ASN 94 Ca 0.01 0.70 -0.22 0.00 -0.03 0.00 0.00 54.58 55.04 3fpu n ASN 94 Cb 0.57 -2.05 -0.07 0.00 -0.61 0.00 0.00 39.78 37.63 3fpu n ASN 94 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3fpu n HIS 95 N -2.62 -1.55 1.08 3.10 8.25 -1.26 -4.99 115.22 117.22 3fpu n HIS 95 Ca 0.00 -2.89 0.11 0.00 -0.26 0.00 0.00 57.72 54.68 3fpu n HIS 95 Cb 0.30 0.50 0.34 0.00 1.12 0.00 0.00 29.99 32.25 3fpu n HIS 95 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3fpu n HIS 96 N 2.72 0.24 -4.56 4.41 8.25 -1.26 -4.80 115.22 120.23 3fpu n HIS 96 Ca 0.26 -0.12 -0.25 0.00 -0.26 0.00 0.00 57.72 57.35 3fpu n HIS 96 Cb 0.50 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.48 3fpu n HIS 96 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3fpu s HIS 97 N -1.76 1.83 0.22 4.41 3.76 -1.26 -5.14 115.29 117.34 3fpu s HIS 97 Ca 0.33 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.69 3fpu s HIS 97 Cb 0.18 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.83 3fpu s HIS 97 CO 0.27 0.12 0.53 -3.38 -0.85 0.00 0.00 174.74 171.44 3fpu s HIS 98 N -0.89 0.00 0.00 1.40 -3.43 -1.26 -5.18 115.29 105.93 3fpu s HIS 98 Ca 0.07 -0.37 0.02 0.00 -0.80 0.00 0.00 55.06 53.99 3fpu s HIS 98 Cb -0.09 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.42 3fpu s HIS 98 CO 0.02 -0.97 -0.06 -1.01 -2.00 0.00 0.00 174.74 170.72 3fpu s HIS 99 N -3.92 0.54 -1.03 0.38 3.76 -1.26 -5.31 115.29 108.46 3fpu s HIS 99 Ca 0.13 -0.16 0.08 0.00 -0.15 0.00 0.00 55.06 54.96 3fpu s HIS 99 Cb -0.01 -0.35 0.06 0.00 1.11 0.00 0.00 32.58 33.40 3fpu s HIS 99 CO 0.01 -0.02 0.76 0.72 -0.85 0.00 0.00 174.74 175.36