#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd s SER 2 N 0.00 -0.04 0.19 1.61 1.04 -1.26 -5.16 113.70 110.08 1whd s SER 2 Ca 0.00 0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.40 1whd s SER 2 Cb 0.00 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1whd s SER 2 CO 0.00 -0.07 0.49 -0.44 0.98 0.00 0.00 173.24 174.20 1whd s SER 3 N 0.47 -0.22 0.00 7.02 0.01 -1.26 -5.15 113.70 114.58 1whd s SER 3 Ca -0.04 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1whd s SER 3 Cb -0.05 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.74 1whd s SER 3 CO -0.02 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.21 1whd n GLY 4 N -0.32 -1.68 3.74 3.44 0.00 -1.26 -4.85 105.19 104.26 1whd n GLY 4 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1whd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1whd n SER 5 N 0.00 -1.82 -4.31 1.61 7.64 -1.26 -4.88 113.62 110.60 1whd n SER 5 Ca 0.00 -0.81 -0.37 0.00 1.01 0.00 0.00 58.87 58.70 1whd n SER 5 Cb 0.00 -4.03 0.05 0.00 -1.01 0.00 0.00 64.21 59.22 1whd n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1whd n SER 6 N -3.02 -2.89 -4.16 6.43 7.64 -1.26 -5.01 113.62 111.36 1whd n SER 6 Ca -0.24 0.53 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1whd n SER 6 Cb 0.65 -1.02 -0.10 0.00 -1.01 0.00 0.00 64.21 62.74 1whd n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1whd s GLY 7 N -1.25 1.43 0.03 0.23 0.00 -1.26 -5.17 107.32 101.33 1whd s GLY 7 Ca 0.58 -1.68 0.06 0.00 0.00 0.00 0.00 44.72 43.68 1whd s GLY 7 CO 0.65 -1.37 -0.15 1.85 0.00 0.00 0.00 173.10 174.09 1whd s GLU 8 N -4.12 2.21 0.00 2.90 2.56 -1.26 -5.02 118.70 115.97 1whd s GLU 8 Ca 0.38 -0.90 0.00 0.00 0.00 0.00 0.00 54.97 54.45 1whd s GLU 8 Cb 0.06 -2.28 0.00 0.00 2.00 0.00 0.00 34.13 33.92 1whd s GLU 8 CO 0.12 0.56 0.00 0.41 -0.56 0.00 0.00 175.26 175.79 1whd n GLY 9 N 1.58 -1.14 2.46 -1.50 0.00 -1.26 -5.04 105.19 100.28 1whd n GLY 9 Ca -0.16 0.70 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 1whd n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whd n ASP 10 N 0.00 3.75 -3.81 1.61 5.75 -1.26 -5.09 116.55 117.50 1whd n ASP 10 Ca 0.00 -3.45 -0.30 0.00 -0.01 0.00 0.00 54.79 51.03 1whd n ASP 10 Cb 0.00 -0.66 0.24 0.00 -1.03 0.00 0.00 41.12 39.67 1whd n ASP 10 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1whd s PRO 11 N -2.54 -1.24 -0.41 0.11 0.04 -1.26 -5.01 135.00 124.69 1whd s PRO 11 Ca 0.41 -0.07 -0.11 0.00 0.04 0.00 0.00 61.00 61.26 1whd s PRO 11 Cb 0.16 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 33.16 1whd s PRO 11 CO -0.02 -3.72 0.26 -1.21 0.04 0.00 0.00 177.00 172.34 1whd s GLU 12 N -5.41 2.76 -0.09 4.56 0.41 -1.26 -4.95 118.70 114.72 1whd s GLU 12 Ca 0.71 -1.26 -0.27 0.00 -0.41 0.00 0.00 54.97 53.73 1whd s GLU 12 Cb -0.10 -3.81 -0.24 0.00 -1.78 0.00 0.00 34.13 28.20 1whd s GLU 12 CO 0.56 -0.85 0.96 -0.97 -0.49 0.00 0.00 175.26 174.47 1whd h ASN 13 N 8.48 0.05 -3.20 -0.19 -1.24 -1.95 -3.46 115.58 114.06 1whd h ASN 13 Ca -0.25 -0.82 -0.41 0.00 0.71 0.00 0.00 56.30 55.53 1whd h ASN 13 Cb 1.10 -0.02 0.21 0.00 0.73 0.00 0.00 38.32 40.34 1whd h ASN 13 CO 0.73 0.86 -0.03 -0.83 -1.29 0.00 0.00 177.43 176.88 1whd s GLY 14 N -3.88 1.49 0.02 1.57 0.00 -1.26 -4.62 107.32 100.64 1whd s GLY 14 Ca -0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.04 1whd s GLY 14 CO 0.70 0.37 0.04 1.85 0.00 0.00 0.00 173.10 176.06 1whd s GLU 15 N -4.77 0.42 -0.14 2.90 2.56 0.54 -4.95 118.70 115.26 1whd s GLU 15 Ca 0.69 -0.60 -0.29 0.00 0.00 0.00 0.00 54.97 54.76 1whd s GLU 15 Cb -0.19 0.16 -0.02 0.00 2.00 0.00 0.00 34.13 36.08 1whd s GLU 15 CO 0.61 -0.09 1.33 0.15 -0.56 0.00 0.00 175.26 176.71 1whd s LYS 16 N -1.73 4.22 0.11 4.30 1.02 -1.26 -2.02 119.74 124.37 1whd s LYS 16 Ca -0.13 1.76 0.07 0.00 0.02 0.00 0.00 55.97 57.69 1whd s LYS 16 Cb -0.07 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1whd s LYS 16 CO -0.01 -0.73 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.00 1whd s LEU 17 N 3.57 2.34 0.06 3.17 1.43 0.09 -4.98 118.68 124.35 1whd s LEU 17 Ca 0.58 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1whd s LEU 17 Cb -0.24 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1whd s LEU 17 CO 0.17 -0.02 -0.21 -1.58 0.23 0.00 0.00 176.35 174.94 1whd s GLN 18 N -2.16 1.37 0.02 1.70 0.74 -1.26 -0.35 119.66 119.72 1whd s GLN 18 Ca 0.07 -1.00 0.05 0.00 0.05 0.00 0.00 55.36 54.52 1whd s GLN 18 Cb -0.08 -1.52 -0.02 0.00 1.10 0.00 0.00 33.01 32.49 1whd s GLN 18 CO 0.04 0.38 -0.14 0.42 -0.55 0.00 0.00 175.29 175.45 1whd s ILE 19 N -0.87 1.08 -0.29 -2.34 -1.09 -1.00 -4.99 121.20 111.70 1whd s ILE 19 Ca 0.08 -0.84 -0.03 0.00 -2.23 0.00 0.00 60.65 57.62 1whd s ILE 19 Cb -0.09 -0.96 0.04 0.00 -1.58 0.00 0.00 42.46 39.87 1whd s ILE 19 CO 0.02 0.11 0.01 -0.89 -1.23 0.00 0.00 174.94 172.96 1whd s THR 20 N -0.66 3.21 -0.12 2.92 2.01 -1.26 -2.80 115.64 118.94 1whd s THR 20 Ca 0.03 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.79 1whd s THR 20 Cb -0.07 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1whd s THR 20 CO 0.01 0.00 0.21 -0.63 -0.69 0.00 0.00 174.62 173.52 1whd s ILE 21 N 1.33 5.37 -0.12 1.82 1.01 -1.06 -4.92 121.20 124.64 1whd s ILE 21 Ca -0.02 0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 1whd s ILE 21 Cb -0.18 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1whd s ILE 21 CO -0.01 0.54 -0.04 -0.60 0.00 0.00 0.00 174.94 174.83 1whd s ARG 22 N -0.49 3.29 -0.85 2.79 3.52 -1.26 -2.54 118.95 123.41 1whd s ARG 22 Ca 0.15 -0.50 -0.25 0.00 -0.13 0.00 0.00 55.73 55.00 1whd s ARG 22 Cb -0.13 -2.81 -0.19 0.00 -1.56 0.00 0.00 34.95 30.26 1whd s ARG 22 CO 0.04 0.45 2.50 -2.13 -0.81 0.00 0.00 175.30 175.36 1whd n ARG 23 N 2.89 0.33 -0.19 5.12 0.63 -0.68 -4.70 116.66 120.05 1whd n ARG 23 Ca -0.18 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.67 1whd n ARG 23 Cb 0.53 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 31.30 1whd n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1whd n GLY 24 N 6.23 0.39 0.17 5.14 0.00 -1.19 -4.73 105.19 111.20 1whd n GLY 24 Ca 0.57 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 1whd n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whd n LYS 25 N -0.42 -0.18 -1.31 1.61 0.00 -1.26 -0.01 118.16 116.58 1whd n LYS 25 Ca 0.00 1.04 -0.29 0.00 0.00 0.00 0.00 58.31 59.06 1whd n LYS 25 Cb 0.00 -1.54 0.12 0.00 0.00 0.00 0.00 35.03 33.60 1whd n LYS 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1whd n ASP 26 N -3.92 5.91 0.00 3.14 5.68 -1.26 -5.05 116.55 121.05 1whd n ASP 26 Ca 0.01 -3.73 0.00 0.00 -0.50 0.00 0.00 54.79 50.57 1whd n ASP 26 Cb 0.11 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1whd n GLY 27 N -0.99 0.36 3.49 6.12 0.00 0.98 -4.48 105.19 110.67 1whd n GLY 27 Ca 0.59 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1whd n GLY 27 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1whd n PHE 28 N 0.00 0.64 -0.25 1.61 3.72 -1.26 -3.16 117.46 118.76 1whd n PHE 28 Ca 0.00 -0.03 0.33 0.00 -0.05 0.00 0.00 57.45 57.70 1whd n PHE 28 Cb 0.00 -1.74 0.68 0.00 -0.94 0.00 0.00 39.48 37.48 1whd n PHE 28 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1whd h GLY 29 N 17.61 0.00 -3.60 1.37 0.00 -1.89 -3.39 103.07 113.16 1whd h GLY 29 Ca 0.01 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.81 1whd h GLY 29 CO 1.21 0.00 -0.12 -0.11 0.00 0.00 0.00 176.54 177.52 1whd s PHE 30 N -4.72 3.43 0.05 5.60 -0.71 -1.26 -1.80 117.98 118.56 1whd s PHE 30 Ca -0.04 0.87 0.07 0.00 -1.04 0.00 0.00 56.93 56.78 1whd s PHE 30 Cb 0.19 -2.25 -0.02 0.00 -1.21 0.00 0.00 43.02 39.72 1whd s PHE 30 CO 0.67 0.27 -0.18 0.99 -1.34 0.00 0.00 175.22 175.62 1whd s THR 31 N -1.82 1.48 -0.02 -4.49 2.01 0.21 -4.95 115.64 108.06 1whd s THR 31 Ca 0.47 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 1whd s THR 31 Cb -0.11 -1.31 0.03 0.00 0.01 0.00 0.00 72.50 71.12 1whd s THR 31 CO 0.21 0.12 0.03 0.27 -0.69 0.00 0.00 174.62 174.57 1whd s ILE 32 N -0.84 -0.06 -0.20 1.82 -5.25 -1.26 -0.98 121.20 114.42 1whd s ILE 32 Ca 0.05 0.22 -0.08 0.00 -0.99 0.00 0.00 60.65 59.86 1whd s ILE 32 Cb -0.09 -0.08 0.09 0.00 2.95 0.00 0.00 42.46 45.33 1whd s ILE 32 CO 0.02 0.09 0.44 0.00 -1.79 0.00 0.00 174.94 173.70 1whd s ASP 35 N -2.76 4.13 -0.26 0.00 1.01 -1.26 -1.11 116.67 116.42 1whd s ASP 35 Ca 0.18 -0.32 -0.25 0.00 0.71 0.00 0.00 52.55 52.88 1whd s ASP 35 Cb -0.01 -1.65 -0.11 0.00 1.01 0.00 0.00 42.92 42.17 1whd s ASP 35 CO 0.00 0.14 0.85 -1.54 0.21 0.00 0.00 175.17 174.83 1whd n SER 36 N 3.70 0.64 -4.77 0.27 3.41 -1.08 -4.04 113.62 111.74 1whd n SER 36 Ca -0.18 0.63 -0.35 0.00 -0.26 0.00 0.00 58.87 58.71 1whd n SER 36 Cb 0.52 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1whd n SER 36 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1whd s PRO 37 N 1.59 3.32 0.47 4.33 0.04 -1.25 -4.94 135.00 138.57 1whd s PRO 37 Ca 0.56 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 63.10 1whd s PRO 37 Cb -0.79 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 1whd s PRO 37 CO 0.43 -0.87 0.84 0.08 0.04 0.00 0.00 177.00 177.52 1whd s VAL 38 N -1.80 4.78 0.34 -0.36 1.01 -1.26 -4.92 120.40 118.19 1whd s VAL 38 Ca 0.72 0.61 0.05 0.00 0.00 0.00 0.00 61.98 63.37 1whd s VAL 38 Cb -0.24 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1whd s VAL 38 CO 0.28 -0.72 0.34 0.54 0.00 0.00 0.00 175.10 175.54 1whd n ARG 39 N -1.81 0.49 -3.72 2.72 1.74 -1.26 -1.30 116.66 113.52 1whd n ARG 39 Ca 0.03 -3.24 -0.37 0.00 -0.77 0.00 0.00 57.85 53.50 1whd n ARG 39 Cb 0.54 2.76 -0.06 0.00 -1.02 0.00 0.00 32.46 34.68 1whd n ARG 39 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1whd s VAL 40 N -3.23 5.36 -0.17 1.55 1.01 -0.67 -3.38 120.40 120.87 1whd s VAL 40 Ca 0.38 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 1whd s VAL 40 Cb 0.01 -3.51 -0.15 0.00 0.00 0.00 0.00 36.38 32.73 1whd s VAL 40 CO 0.27 0.55 0.21 -0.61 0.00 0.00 0.00 175.10 175.52 1whd h GLN 41 N 5.38 0.00 -1.47 2.72 4.15 -1.35 -3.29 115.11 121.25 1whd h GLN 41 Ca -0.50 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.14 1whd h GLN 41 Cb 1.21 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.69 1whd h GLN 41 CO 0.64 0.65 0.79 0.00 -1.93 0.00 0.00 178.83 178.98 1whd s ALA 42 N -2.44 -2.05 -0.06 3.38 0.00 -1.02 -4.78 121.76 114.80 1whd s ALA 42 Ca -0.20 1.61 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1whd s ALA 42 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1whd s ALA 42 CO 0.46 -0.52 -0.13 0.08 0.00 0.00 0.00 175.76 175.65 1whd s VAL 43 N -2.12 3.19 0.14 0.00 1.01 -1.26 -0.62 120.40 120.74 1whd s VAL 43 Ca 0.08 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1whd s VAL 43 Cb -0.01 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.02 1whd s VAL 43 CO -0.05 0.59 1.32 -0.62 0.00 0.00 0.00 175.10 176.34 1whd s ASP 44 N -0.68 6.90 -0.18 3.32 2.15 -0.75 -4.95 116.67 122.49 1whd s ASP 44 Ca 0.10 2.30 -0.29 0.00 0.43 0.00 0.00 52.55 55.09 1whd s ASP 44 Cb -0.11 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.88 1whd s ASP 44 CO 0.01 -0.56 1.65 -0.94 -0.17 0.00 0.00 175.17 175.15 1whd s SER 45 N 0.76 6.42 -0.37 -0.34 1.04 -1.26 -2.67 113.70 117.28 1whd s SER 45 Ca 0.60 1.80 -0.02 0.00 0.48 0.00 0.00 55.95 58.81 1whd s SER 45 Cb -0.35 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.24 1whd s SER 45 CO 0.33 -1.19 0.29 0.61 0.98 0.00 0.00 173.24 174.26 1whd n GLY 46 N 4.55 0.52 1.10 7.32 0.00 -1.26 -5.06 105.19 112.36 1whd n GLY 46 Ca 0.19 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1whd n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whd n GLY 47 N -0.91 2.69 0.19 -0.02 0.00 -1.09 -4.95 105.19 101.09 1whd n GLY 47 Ca -0.00 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 43.86 1whd n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whd h PRO 48 N 0.00 0.00 0.00 1.61 0.13 -1.85 -2.74 132.00 129.16 1whd h PRO 48 Ca -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1whd h PRO 48 Cb 0.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1whd h PRO 48 CO 0.14 0.39 -0.18 0.00 -0.23 0.00 0.00 178.00 178.13 1whd h ALA 49 N 1.61 0.04 0.26 -0.56 0.00 -1.90 -3.25 119.26 115.45 1whd h ALA 49 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1whd h ALA 49 Cb 0.79 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1whd h ALA 49 CO 0.05 0.10 -0.50 1.49 0.00 0.00 0.00 179.25 180.39 1whd h GLU 50 N -1.00 -0.80 -0.83 0.00 4.81 -1.78 -2.06 114.58 112.92 1whd h GLU 50 Ca -0.05 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.44 1whd h GLU 50 Cb 0.93 0.18 -0.14 0.00 0.63 0.00 0.00 28.75 30.35 1whd h GLU 50 CO -0.03 -0.53 0.06 0.00 -0.73 0.00 0.00 179.01 177.78 1whd h ARG 51 N -0.83 0.11 -0.82 1.92 3.08 -1.67 0.60 114.38 116.77 1whd h ARG 51 Ca -0.02 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1whd h ARG 51 Cb 0.79 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 1whd h ARG 51 CO -0.20 0.07 0.54 0.00 -1.07 0.00 0.00 179.97 179.31 1whd h ALA 52 N 1.77 1.67 0.00 0.04 0.00 -1.43 -3.46 119.26 117.86 1whd h ALA 52 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1whd h ALA 52 Cb 0.90 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1whd h ALA 52 CO -0.71 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.13 1whd n GLY 53 N -1.43 1.03 3.76 0.00 0.00 0.21 -5.00 105.19 103.76 1whd n GLY 53 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1whd n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1whd s LEU 54 N 0.00 4.29 -0.06 0.99 0.20 -1.02 -5.01 118.68 118.07 1whd s LEU 54 Ca 0.00 0.58 0.04 0.00 0.69 0.00 0.00 54.13 55.44 1whd s LEU 54 Cb 0.00 -2.38 -0.02 0.00 -0.43 0.00 0.00 46.19 43.36 1whd s LEU 54 CO 0.00 0.17 -0.19 -1.58 -0.29 0.00 0.00 176.35 174.46 1whd s GLN 55 N 0.07 2.60 1.09 1.98 0.74 -1.26 -4.61 119.66 120.27 1whd s GLN 55 Ca 0.18 -0.78 -0.18 0.00 0.05 0.00 0.00 55.36 54.62 1whd s GLN 55 Cb -0.13 -2.31 0.25 0.00 1.10 0.00 0.00 33.01 31.92 1whd s GLN 55 CO 0.05 0.49 1.27 1.14 -0.55 0.00 0.00 175.29 177.69 1whd s GLN 56 N -0.40 -0.35 -1.19 1.67 -2.07 -1.26 -4.34 119.66 111.73 1whd s GLN 56 Ca 0.04 -0.40 -0.06 0.00 -1.82 0.00 0.00 55.36 53.12 1whd s GLN 56 Cb -0.12 -1.73 0.01 0.00 -1.09 0.00 0.00 33.01 30.08 1whd s GLN 56 CO 0.02 -3.07 0.82 1.28 -1.32 0.00 0.00 175.29 173.01 1whd n LEU 57 N -4.24 -2.94 -4.36 2.60 4.77 -1.24 -4.99 117.00 106.60 1whd n LEU 57 Ca 0.16 -0.38 -0.23 0.00 -0.03 0.00 0.00 56.01 55.53 1whd n LEU 57 Cb 0.59 -2.59 -0.11 0.00 -2.33 0.00 0.00 43.42 38.98 1whd n LEU 57 CO 0.43 0.42 -0.49 1.51 -1.33 0.00 0.00 177.39 177.93 1whd s ASP 58 N -3.09 2.92 -0.11 -1.43 1.47 -1.26 -4.93 116.67 110.24 1whd s ASP 58 Ca 0.41 -0.88 -0.11 0.00 1.18 0.00 0.00 52.55 53.15 1whd s ASP 58 Cb -0.18 -0.19 -0.05 0.00 -0.34 0.00 0.00 42.92 42.16 1whd s ASP 58 CO 0.50 0.00 0.24 -0.89 0.68 0.00 0.00 175.17 175.71 1whd s THR 59 N -2.01 5.33 0.30 2.11 2.01 -1.26 -1.68 115.64 120.44 1whd s THR 59 Ca 0.18 0.45 -0.28 0.00 0.31 0.00 0.00 61.69 62.35 1whd s THR 59 Cb -0.06 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1whd s THR 59 CO 0.08 0.52 1.01 -0.69 -0.69 0.00 0.00 174.62 174.85 1whd s VAL 60 N -0.46 3.85 -0.04 3.82 1.01 -0.42 -2.61 120.40 125.56 1whd s VAL 60 Ca 0.17 1.71 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 1whd s VAL 60 Cb -0.13 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1whd s VAL 60 CO 0.05 0.30 -0.16 0.18 0.00 0.00 0.00 175.10 175.48 1whd n LEU 61 N 0.94 1.41 -3.70 3.92 4.77 0.54 -4.64 117.00 120.24 1whd n LEU 61 Ca 0.00 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 1whd n LEU 61 Cb 0.47 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1whd n LEU 61 CO 0.49 -0.44 0.18 0.00 -1.33 0.00 0.00 177.39 176.30 1whd s GLN 62 N -2.38 0.58 0.01 3.23 -2.07 -1.16 -3.15 119.66 114.71 1whd s GLN 62 Ca -0.14 0.71 0.07 0.00 -1.82 0.00 0.00 55.36 54.18 1whd s GLN 62 Cb 0.02 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 1whd s GLN 62 CO 0.20 -0.07 -0.19 -1.17 -1.32 0.00 0.00 175.29 172.73 1whd s LEU 63 N 0.33 2.49 -1.60 2.60 2.96 0.44 -0.86 118.68 125.04 1whd s LEU 63 Ca -0.00 -0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 53.36 1whd s LEU 63 Cb -0.04 -1.47 0.13 0.00 0.50 0.00 0.00 46.19 45.31 1whd s LEU 63 CO -0.00 0.29 0.81 0.59 -1.32 0.00 0.00 176.35 176.72 1whd n ASN 64 N 1.95 -3.86 -2.36 3.68 5.03 -0.12 0.51 115.26 120.10 1whd n ASN 64 Ca -0.16 -0.85 -0.19 0.00 0.87 0.00 0.00 54.58 54.24 1whd n ASN 64 Cb 0.52 -3.13 0.01 0.00 -1.02 0.00 0.00 39.78 36.16 1whd n ASN 64 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1whd n GLU 65 N -4.39 -2.80 -4.32 3.52 1.02 -1.26 -5.00 120.64 107.42 1whd n GLU 65 Ca 0.06 0.85 -0.18 0.00 -0.02 0.00 0.00 57.16 57.87 1whd n GLU 65 Cb 0.51 -5.41 -0.14 0.00 -0.02 0.00 0.00 31.44 26.37 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1whd s ARG 66 N -5.21 0.73 -0.16 3.49 0.52 0.18 -5.11 118.95 113.39 1whd s ARG 66 Ca 0.12 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 1whd s ARG 66 Cb -0.05 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 1whd s ARG 66 CO 0.15 0.18 1.57 -1.25 0.02 0.00 0.00 175.30 175.97 1whd s PRO 67 N -0.55 4.00 -0.08 3.54 0.04 -1.26 -0.42 135.00 140.27 1whd s PRO 67 Ca 0.01 1.84 0.11 0.00 0.04 0.00 0.00 61.00 63.00 1whd s PRO 67 Cb -0.05 -3.97 0.18 0.00 0.04 0.00 0.00 34.50 30.70 1whd s PRO 67 CO 0.00 -1.04 1.09 1.33 0.04 0.00 0.00 177.00 178.42 1whd n VAL 68 N 5.91 1.10 0.25 -0.36 0.24 -1.19 -4.77 118.33 119.51 1whd n VAL 68 Ca 0.17 -1.35 0.09 0.00 -2.04 0.00 0.00 64.34 61.21 1whd n VAL 68 Cb 0.44 0.08 0.63 0.00 -1.47 0.00 0.00 33.84 33.53 1whd n VAL 68 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1whd h GLU 69 N 0.04 0.00 -0.51 7.34 5.08 -1.81 -1.66 114.58 123.06 1whd h GLU 69 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1whd h GLU 69 Cb 1.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 1whd h GLU 69 CO 0.00 0.10 0.12 0.72 -1.00 0.00 0.00 179.01 178.95 1whd n HIS 70 N -4.22 1.63 -4.04 4.33 8.25 -1.26 -3.78 115.22 116.14 1whd n HIS 70 Ca -0.03 -1.39 -0.35 0.00 -0.26 0.00 0.00 57.72 55.69 1whd n HIS 70 Cb 0.18 -0.56 -0.07 0.00 1.12 0.00 0.00 29.99 30.66 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1whd s TRP 71 N -3.11 3.42 0.35 4.41 0.52 -0.63 -4.83 118.94 119.08 1whd s TRP 71 Ca 0.48 0.35 -0.02 0.00 0.02 0.00 0.00 56.10 56.93 1whd s TRP 71 Cb 0.41 -1.84 0.07 0.00 -1.15 0.00 0.00 33.47 30.96 1whd s TRP 71 CO 0.06 0.62 0.48 1.63 0.02 0.00 0.00 176.95 179.77 1whd n LYS 72 N 1.63 0.06 -0.06 4.98 5.02 -1.26 -2.64 118.16 125.90 1whd n LYS 72 Ca -0.16 -1.13 -0.12 0.00 -2.02 0.00 0.00 58.31 54.88 1whd n LYS 72 Cb 0.54 -0.38 -0.06 0.00 -0.02 0.00 0.00 35.03 35.11 1whd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1whd h VAL 74 N 0.02 1.39 -0.02 0.00 3.04 -1.95 -0.04 116.25 118.68 1whd h VAL 74 Ca 0.04 -1.88 -0.22 0.00 -1.01 0.00 0.00 66.70 63.63 1whd h VAL 74 Cb 0.52 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1whd h VAL 74 CO 0.02 0.54 -0.89 -0.33 -1.01 0.00 0.00 177.57 175.90 1whd h GLU 75 N 0.06 0.42 0.06 4.17 4.39 -1.92 -3.29 114.58 118.48 1whd h GLU 75 Ca -0.00 -0.42 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 1whd h GLU 75 Cb 0.99 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1whd h GLU 75 CO 0.08 1.08 -0.03 1.25 -1.16 0.00 0.00 179.01 180.23 1whd h LEU 76 N 0.25 -0.07 -0.69 1.33 5.85 -0.84 -3.33 115.31 117.81 1whd h LEU 76 Ca -0.07 -0.26 0.22 0.00 0.84 0.00 0.00 57.88 58.62 1whd h LEU 76 Cb 1.51 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.44 1whd h LEU 76 CO 0.15 0.54 0.14 0.00 -0.34 0.00 0.00 178.44 178.93 1whd n ALA 77 N -2.71 0.48 -0.17 1.25 0.00 -0.04 0.17 120.51 119.48 1whd n ALA 77 Ca -0.04 0.73 -0.02 0.00 0.00 0.00 0.00 53.44 54.11 1whd n ALA 77 Cb 0.16 -0.60 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1whd n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1whd h HIS 78 N 0.00 -0.25 -0.47 0.00 -0.00 -1.67 0.20 115.15 112.96 1whd h HIS 78 Ca 0.48 0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.78 1whd h HIS 78 Cb 1.10 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.69 1whd h HIS 78 CO -0.23 -0.22 -0.17 1.49 -0.00 0.00 0.00 177.93 178.81 1whd h GLU 79 N 0.01 0.91 0.80 5.26 4.57 0.15 0.51 114.58 126.79 1whd h GLU 79 Ca 0.26 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 1whd h GLU 79 Cb 0.40 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1whd h GLU 79 CO -0.53 1.00 -0.38 0.82 -1.18 0.00 0.00 179.01 178.73 1whd h ILE 80 N 0.80 0.21 -0.03 2.32 2.04 -0.46 -2.90 117.51 119.49 1whd h ILE 80 Ca 0.12 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 1whd h ILE 80 Cb 0.71 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1whd h ILE 80 CO 0.05 0.00 -0.30 0.03 0.00 0.00 0.00 178.15 177.93 1whd h ARG 81 N -1.08 0.06 -0.97 2.37 3.08 -0.71 -3.05 114.38 114.07 1whd h ARG 81 Ca -0.11 -0.02 0.32 0.00 0.07 0.00 0.00 59.98 60.24 1whd h ARG 81 Cb 0.82 -0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.70 1whd h ARG 81 CO 0.18 0.36 0.29 1.03 -1.07 0.00 0.00 179.97 180.76 1whd h SER 82 N 0.05 -0.02 -3.56 7.04 0.87 -0.67 -3.21 113.55 114.05 1whd h SER 82 Ca 0.01 0.25 -0.68 0.00 -1.23 0.00 0.00 61.79 60.13 1whd h SER 82 Cb 0.56 0.34 -0.36 0.00 -0.44 0.00 0.00 62.40 62.49 1whd h SER 82 CO 0.04 -0.32 -0.61 0.00 -0.53 0.00 0.00 176.83 175.41 1whd h PRO 84 N 7.91 -0.06 0.00 0.00 0.13 -1.79 -3.37 132.00 134.83 1whd h PRO 84 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1whd h PRO 84 Cb 1.04 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1whd h PRO 84 CO 0.64 0.41 0.00 -1.13 -0.23 0.00 0.00 178.00 177.69 1whd n SER 85 N -4.89 0.00 -4.22 1.44 3.41 -1.26 -4.16 113.62 103.94 1whd n SER 85 Ca -0.08 0.74 -0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1whd n SER 85 Cb 0.25 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1whd s GLU 86 N -1.97 1.19 -0.13 4.33 2.12 -1.26 -1.69 118.70 121.30 1whd s GLU 86 Ca 0.00 -1.62 -0.17 0.00 0.36 0.00 0.00 54.97 53.54 1whd s GLU 86 Cb 0.00 0.13 0.04 0.00 0.26 0.00 0.00 34.13 34.56 1whd s GLU 86 CO 0.00 -0.34 0.44 0.96 -0.54 0.00 0.00 175.26 175.79 1whd s ILE 87 N -4.03 0.01 -0.20 -3.70 -4.36 -1.05 -4.74 121.20 103.12 1whd s ILE 87 Ca 0.36 -0.09 -0.00 0.00 -0.26 0.00 0.00 60.65 60.65 1whd s ILE 87 Cb 0.07 -0.66 0.02 0.00 1.25 0.00 0.00 42.46 43.14 1whd s ILE 87 CO 0.10 -0.05 -0.14 -0.63 0.24 0.00 0.00 174.94 174.47 1whd s ILE 88 N -0.17 2.51 -0.10 8.37 1.01 -1.26 -2.56 121.20 129.00 1whd s ILE 88 Ca -0.03 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1whd s ILE 88 Cb -0.03 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.32 1whd s ILE 88 CO 0.02 0.44 -0.12 -1.48 0.00 0.00 0.00 174.94 173.80 1whd s LEU 89 N 1.34 1.53 -0.17 2.97 2.34 -1.12 -0.94 118.68 124.63 1whd s LEU 89 Ca 0.04 -0.35 -0.13 0.00 0.06 0.00 0.00 54.13 53.75 1whd s LEU 89 Cb -0.14 -0.93 -0.05 0.00 -0.56 0.00 0.00 46.19 44.51 1whd s LEU 89 CO -0.09 -0.02 0.24 -0.22 -1.06 0.00 0.00 176.35 175.20 1whd s LEU 90 N 1.12 4.23 0.26 1.48 2.96 -0.04 -2.38 118.68 126.32 1whd s LEU 90 Ca -0.05 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 1whd s LEU 90 Cb -0.14 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.21 1whd s LEU 90 CO -0.02 0.12 0.10 0.68 -1.32 0.00 0.00 176.35 175.90 1whd s VAL 91 N 0.45 0.58 -0.04 1.68 -7.23 0.52 -0.34 120.40 116.01 1whd s VAL 91 Ca 0.14 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 1whd s VAL 91 Cb -0.12 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1whd s VAL 91 CO 0.02 0.00 0.13 0.86 -0.31 0.00 0.00 175.10 175.80 1whd s TRP 92 N -3.74 3.45 0.12 2.82 -0.11 -1.07 -0.73 118.94 119.68 1whd s TRP 92 Ca 0.38 0.35 0.04 0.00 1.22 0.00 0.00 56.10 58.08 1whd s TRP 92 Cb 0.08 -1.83 -0.04 0.00 -1.50 0.00 0.00 33.47 30.18 1whd s TRP 92 CO 0.14 0.63 -0.09 0.50 -4.62 0.00 0.00 176.95 173.50 1whd s ARG 93 N -1.55 0.95 -0.00 5.86 6.06 -0.86 -4.37 118.95 125.04 1whd s ARG 93 Ca 0.21 -1.34 0.06 0.00 -2.50 0.00 0.00 55.73 52.16 1whd s ARG 93 Cb -0.12 -0.50 -0.02 0.00 0.06 0.00 0.00 34.95 34.37 1whd s ARG 93 CO 0.12 0.06 -0.18 0.08 -2.50 0.00 0.00 175.30 172.87 1whd s VAL 94 N -3.14 1.45 0.05 7.11 1.01 -1.26 -0.34 120.40 125.28 1whd s VAL 94 Ca 0.12 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1whd s VAL 94 Cb 0.02 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1whd s VAL 94 CO -0.01 0.35 0.52 -0.55 0.00 0.00 0.00 175.10 175.41 1whd s SER 95 N -0.58 6.98 0.00 3.32 0.15 -1.26 -4.95 113.70 117.36 1whd s SER 95 Ca 0.07 1.17 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1whd s SER 95 Cb -0.07 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1whd s SER 95 CO -0.00 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1whd n GLY 96 N 1.74 3.65 3.77 9.45 0.00 -1.26 -4.90 105.19 117.64 1whd n GLY 96 Ca -0.11 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1whd n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whd s PRO 97 N -4.99 3.57 -0.79 1.61 0.04 -1.26 -5.00 135.00 128.18 1whd s PRO 97 Ca 0.00 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 1whd s PRO 97 Cb 0.00 -2.22 0.20 0.00 0.04 0.00 0.00 34.50 32.52 1whd s PRO 97 CO 0.00 -0.69 0.68 0.45 0.04 0.00 0.00 177.00 177.48 1whd s SER 98 N -1.55 6.22 0.84 6.66 0.15 -1.26 -5.07 113.70 119.70 1whd s SER 98 Ca 0.68 -2.91 -0.11 0.00 0.70 0.00 0.00 55.95 54.31 1whd s SER 98 Cb -0.26 -2.06 0.10 0.00 -1.71 0.00 0.00 66.02 62.08 1whd s SER 98 CO 0.31 -0.45 1.14 -0.94 1.20 0.00 0.00 173.24 174.50 1whd s SER 99 N 1.39 3.61 0.00 5.45 1.04 -1.26 -5.36 113.70 118.57 1whd s SER 99 Ca 0.19 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1whd s SER 99 Cb -0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1whd s SER 99 CO -0.07 -2.64 0.00 0.61 0.98 0.00 0.00 173.24 172.12