#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 -0.37 0.12 1.61 0.15 -1.26 -5.17 113.70 108.79 1whd s SER 2 Ca 0.00 0.68 0.06 0.00 0.70 0.00 0.00 55.95 57.39 1whd s SER 2 Cb 0.00 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 1whd s SER 2 CO 0.00 -0.16 -0.15 -0.94 1.20 0.00 0.00 173.24 173.19 1whd s SER 3 N 1.02 2.09 0.00 5.45 1.04 -1.26 -5.03 113.70 117.01 1whd s SER 3 Ca -0.07 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1whd s SER 3 Cb -0.08 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1whd s SER 3 CO -0.08 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1whd n GLY 4 N 0.62 -2.10 3.48 7.32 0.00 -1.26 -5.10 105.19 108.14 1whd n GLY 4 Ca -0.16 0.65 -0.60 0.00 0.00 0.00 0.00 46.02 45.91 1whd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whd n SER 5 N -1.55 1.38 -4.54 1.61 3.41 -1.26 -4.72 113.62 107.95 1whd n SER 5 Ca 0.00 0.81 -0.37 0.00 -0.26 0.00 0.00 58.87 59.05 1whd n SER 5 Cb 0.00 -1.00 -0.05 0.00 -0.26 0.00 0.00 64.21 62.90 1whd n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1whd n SER 6 N 6.80 2.03 -4.56 4.04 7.64 -1.26 -4.84 113.62 123.47 1whd n SER 6 Ca 0.42 -0.40 -0.28 0.00 1.01 0.00 0.00 58.87 59.62 1whd n SER 6 Cb 0.03 -1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 61.70 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 11.73 -0.11 0.20 0.23 0.00 -1.26 -4.94 107.32 113.17 1whd s GLY 7 Ca 1.04 -0.95 -0.30 0.00 0.00 0.00 0.00 44.72 44.50 1whd s GLY 7 CO 0.30 3.72 1.00 -0.54 0.00 0.00 0.00 173.10 177.57 1whd s GLU 8 N 7.58 4.73 0.00 2.90 0.41 -1.26 -4.89 118.70 128.18 1whd s GLU 8 Ca 0.78 1.57 0.00 0.00 -0.41 0.00 0.00 54.97 56.91 1whd s GLU 8 Cb -0.11 -3.29 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1whd s GLU 8 CO 0.10 0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.58 1whd n GLY 9 N 1.76 -1.22 3.62 -1.39 0.00 -1.26 -5.14 105.19 101.55 1whd n GLY 9 Ca 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 1whd n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1whd s ASP 10 N -1.18 -0.99 0.13 1.61 1.01 -1.26 -5.15 116.67 110.84 1whd s ASP 10 Ca 0.00 1.50 -0.31 0.00 0.71 0.00 0.00 52.55 54.45 1whd s ASP 10 Cb 0.00 1.73 -0.08 0.00 1.01 0.00 0.00 42.92 45.58 1whd s ASP 10 CO 0.00 -0.23 1.35 -2.16 0.21 0.00 0.00 175.17 174.34 1whd s PRO 11 N 2.16 4.35 -0.45 8.23 0.04 -1.26 -4.95 135.00 143.13 1whd s PRO 11 Ca -0.08 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.71 1whd s PRO 11 Cb -0.08 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1whd s PRO 11 CO -0.19 -0.37 1.66 -1.21 0.04 0.00 0.00 177.00 176.93 1whd s GLU 12 N 0.78 3.22 0.00 4.56 2.02 -1.26 -4.89 118.70 123.13 1whd s GLU 12 Ca 0.62 0.98 -0.22 0.00 0.02 0.00 0.00 54.97 56.36 1whd s GLU 12 Cb -0.36 -4.19 -0.12 0.00 0.10 0.00 0.00 34.13 29.56 1whd s GLU 12 CO 0.32 -2.00 0.98 -0.91 0.02 0.00 0.00 175.26 173.67 1whd h ASN 13 N 12.56 -0.68 -3.72 -0.19 2.35 -1.92 -3.45 115.58 120.53 1whd h ASN 13 Ca -0.29 0.02 -0.46 0.00 -0.55 0.00 0.00 56.30 55.02 1whd h ASN 13 Cb 1.14 0.17 0.18 0.00 0.05 0.00 0.00 38.32 39.86 1whd h ASN 13 CO 1.11 -0.33 0.14 -0.83 -1.65 0.00 0.00 177.43 175.87 1whd s GLY 14 N -2.42 1.58 -0.00 2.83 0.00 -1.26 -4.37 107.32 103.68 1whd s GLY 14 Ca -0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.41 1whd s GLY 14 CO 0.35 0.47 0.08 -1.83 0.00 0.00 0.00 173.10 172.17 1whd s GLU 15 N -4.75 0.34 -0.43 2.90 1.03 0.16 -4.93 118.70 113.02 1whd s GLU 15 Ca 0.66 -0.31 -0.29 0.00 0.03 0.00 0.00 54.97 55.06 1whd s GLU 15 Cb -0.21 0.14 0.03 0.00 -0.80 0.00 0.00 34.13 33.28 1whd s GLU 15 CO 0.60 -0.07 1.13 -1.59 -1.33 0.00 0.00 175.26 174.00 1whd s LYS 16 N -1.02 3.81 0.04 -4.83 -2.85 -1.26 -1.14 119.74 112.49 1whd s LYS 16 Ca -0.11 0.72 0.06 0.00 -1.00 0.00 0.00 55.97 55.64 1whd s LYS 16 Cb -0.06 -3.87 -0.03 0.00 -2.06 0.00 0.00 37.83 31.81 1whd s LYS 16 CO 0.01 -1.26 -0.14 -0.51 0.10 0.00 0.00 175.35 173.55 1whd s LEU 17 N 4.27 2.82 0.01 2.77 1.43 0.11 -4.96 118.68 125.14 1whd s LEU 17 Ca 0.48 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1whd s LEU 17 Cb -0.09 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1whd s LEU 17 CO 0.27 0.25 0.10 -1.58 0.23 0.00 0.00 176.35 175.62 1whd s GLN 18 N -1.59 3.10 -0.08 1.70 0.74 -1.26 -0.51 119.66 121.76 1whd s GLN 18 Ca 0.16 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 55.06 1whd s GLN 18 Cb -0.11 -2.88 0.03 0.00 1.10 0.00 0.00 33.01 31.16 1whd s GLN 18 CO 0.07 0.64 0.03 0.42 -0.55 0.00 0.00 175.29 175.90 1whd s ILE 19 N -1.26 0.19 -0.08 -2.34 -1.09 -1.13 -4.96 121.20 110.55 1whd s ILE 19 Ca 0.25 0.13 -0.24 0.00 -2.23 0.00 0.00 60.65 58.56 1whd s ILE 19 Cb -0.12 -0.46 -0.03 0.00 -1.58 0.00 0.00 42.46 40.26 1whd s ILE 19 CO 0.16 0.14 0.72 -0.89 -1.23 0.00 0.00 174.94 173.85 1whd s THR 20 N 2.04 5.02 -0.04 2.92 2.01 -1.26 -3.19 115.64 123.14 1whd s THR 20 Ca 0.04 1.48 0.06 0.00 0.31 0.00 0.00 61.69 63.59 1whd s THR 20 Cb -0.13 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1whd s THR 20 CO -0.05 0.22 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.23 1whd s ILE 21 N 1.01 1.89 0.03 1.82 1.01 -1.01 -4.88 121.20 121.06 1whd s ILE 21 Ca 0.38 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1whd s ILE 21 Cb -0.18 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1whd s ILE 21 CO 0.18 0.53 -0.06 0.00 0.00 0.00 0.00 174.94 175.59 1whd s ARG 22 N -0.32 2.52 -0.57 2.79 1.70 -1.26 -1.97 118.95 121.84 1whd s ARG 22 Ca 0.02 -0.77 -0.24 0.00 -0.47 0.00 0.00 55.73 54.27 1whd s ARG 22 Cb -0.11 -2.50 0.04 0.00 -0.57 0.00 0.00 34.95 31.81 1whd s ARG 22 CO 0.01 0.58 0.96 0.50 -1.08 0.00 0.00 175.30 176.27 1whd s ARG 23 N -1.66 3.31 0.00 3.89 3.52 -0.24 -4.66 118.95 123.12 1whd s ARG 23 Ca 0.19 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1whd s ARG 23 Cb -0.11 -4.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 1whd s ARG 23 CO 0.10 -1.54 0.00 0.41 -0.81 0.00 0.00 175.30 173.46 1whd n GLY 24 N 5.14 -3.27 0.10 8.12 0.00 0.76 -4.91 105.19 111.12 1whd n GLY 24 Ca 0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.53 0.22 1.61 4.81 -1.26 -4.71 118.16 119.35 1whd n LYS 25 Ca 0.00 0.31 -0.12 0.00 -0.87 0.00 0.00 58.31 57.62 1whd n LYS 25 Cb 0.00 -1.51 -0.07 0.00 0.02 0.00 0.00 35.03 33.47 1whd n LYS 25 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1whd h ASP 26 N -1.00 -0.51 0.00 3.14 1.82 -2.02 -3.49 116.42 114.36 1whd h ASP 26 Ca -0.17 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1whd h ASP 26 Cb 1.06 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1whd h ASP 26 CO -0.10 -0.10 0.00 0.61 -1.61 0.00 0.00 179.24 178.04 1whd n GLY 27 N -0.12 2.92 0.14 -0.78 0.00 -1.26 -5.10 105.19 100.99 1whd n GLY 27 Ca -0.09 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 1.61 3.72 -1.26 -0.17 117.46 121.36 1whd n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1whd n PHE 28 Cb 0.00 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 1whd n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1whd n GLY 29 N 1.63 4.42 3.83 1.37 0.00 -1.26 -4.40 105.19 110.78 1whd n GLY 29 Ca -0.10 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1whd n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1whd s PHE 30 N 0.00 3.73 -0.09 1.61 -0.71 -1.26 -3.33 117.98 117.93 1whd s PHE 30 Ca 0.00 1.13 -0.01 0.00 -1.04 0.00 0.00 56.93 57.01 1whd s PHE 30 Cb 0.00 -2.40 -0.03 0.00 -1.21 0.00 0.00 43.02 39.38 1whd s PHE 30 CO 0.00 0.57 -0.04 0.99 -1.34 0.00 0.00 175.22 175.40 1whd s THR 31 N -1.19 3.95 -0.10 -4.49 2.01 -0.33 -5.01 115.64 110.48 1whd s THR 31 Ca 0.30 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1whd s THR 31 Cb -0.17 -2.65 0.05 0.00 0.01 0.00 0.00 72.50 69.73 1whd s THR 31 CO 0.17 0.58 0.21 0.27 -0.69 0.00 0.00 174.62 175.17 1whd s ILE 32 N -0.61 -0.10 -0.16 1.82 -5.25 -1.26 -1.32 121.20 114.32 1whd s ILE 32 Ca 0.10 0.18 -0.06 0.00 -0.99 0.00 0.00 60.65 59.88 1whd s ILE 32 Cb -0.12 -0.34 0.07 0.00 2.95 0.00 0.00 42.46 45.03 1whd s ILE 32 CO 0.02 0.08 0.35 0.00 -1.79 0.00 0.00 174.94 173.60 1whd s ASP 35 N -2.40 2.52 -0.23 0.00 1.01 -1.26 -1.73 116.67 114.57 1whd s ASP 35 Ca 0.15 -0.42 -0.22 0.00 0.71 0.00 0.00 52.55 52.77 1whd s ASP 35 Cb -0.00 -0.80 -0.09 0.00 1.01 0.00 0.00 42.92 43.04 1whd s ASP 35 CO -0.00 0.17 0.75 -1.54 0.21 0.00 0.00 175.17 174.76 1whd n SER 36 N 3.19 0.55 -4.77 0.27 3.41 -0.86 -4.09 113.62 111.32 1whd n SER 36 Ca -0.18 0.54 -0.34 0.00 -0.26 0.00 0.00 58.87 58.63 1whd n SER 36 Cb 0.53 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.44 3.12 0.45 4.33 0.04 -1.25 -4.95 135.00 138.18 1whd s PRO 37 Ca 0.49 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 1whd s PRO 37 Cb -0.69 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 31.80 1whd s PRO 37 CO 0.38 -1.02 0.86 0.08 0.04 0.00 0.00 177.00 177.33 1whd s VAL 38 N -2.02 4.69 0.34 -0.36 1.01 -1.25 -4.94 120.40 117.88 1whd s VAL 38 Ca 0.70 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1whd s VAL 38 Cb -0.22 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1whd s VAL 38 CO 0.33 -0.61 0.42 -0.13 0.00 0.00 0.00 175.10 175.12 1whd s ARG 39 N -3.98 1.87 -0.03 2.72 0.52 -1.26 -2.61 118.95 116.18 1whd s ARG 39 Ca 0.54 -1.83 -0.00 0.00 -0.52 0.00 0.00 55.73 53.92 1whd s ARG 39 Cb -0.10 0.41 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 1whd s ARG 39 CO 0.32 -0.75 0.03 0.08 0.02 0.00 0.00 175.30 175.00 1whd s VAL 40 N -3.15 4.43 0.00 3.52 1.01 -0.64 -3.81 120.40 121.76 1whd s VAL 40 Ca 0.33 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1whd s VAL 40 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1whd s VAL 40 CO 0.22 0.44 0.00 1.67 0.00 0.00 0.00 175.10 177.44 1whd n GLN 41 N 1.57 0.00 -3.84 2.72 0.00 -0.43 -3.32 117.38 114.07 1whd n GLN 41 Ca -0.15 0.23 -0.10 0.00 -0.00 0.00 0.00 57.00 56.98 1whd n GLN 41 Cb 0.53 -0.72 -0.06 0.00 0.00 0.00 0.00 30.24 29.99 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1whd s ALA 42 N -3.04 -0.39 0.06 1.69 0.00 -1.03 -4.49 121.76 114.56 1whd s ALA 42 Ca 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.50 1whd s ALA 42 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1whd s ALA 42 CO 0.00 -0.65 -0.23 0.08 0.00 0.00 0.00 175.76 174.96 1whd s VAL 43 N -3.90 2.43 0.33 0.00 1.01 -1.26 -1.18 120.40 117.82 1whd s VAL 43 Ca 0.10 -1.40 -0.27 0.00 0.00 0.00 0.00 61.98 60.41 1whd s VAL 43 Cb 0.03 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 1whd s VAL 43 CO -0.05 0.29 1.03 -0.62 0.00 0.00 0.00 175.10 175.74 1whd s ASP 44 N -1.52 7.15 0.16 3.32 2.15 -1.21 -4.99 116.67 121.72 1whd s ASP 44 Ca 0.14 2.05 -0.30 0.00 0.43 0.00 0.00 52.55 54.87 1whd s ASP 44 Cb -0.10 -2.60 -0.07 0.00 -0.30 0.00 0.00 42.92 39.85 1whd s ASP 44 CO 0.04 -0.21 1.02 -0.94 -0.17 0.00 0.00 175.17 174.91 1whd s SER 45 N -1.32 7.42 -1.32 -0.34 1.04 -1.26 -3.81 113.70 114.12 1whd s SER 45 Ca 0.50 1.94 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 1whd s SER 45 Cb -0.25 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.27 1whd s SER 45 CO 0.31 -0.10 0.65 0.61 0.98 0.00 0.00 173.24 175.69 1whd n GLY 46 N 2.06 -0.30 0.00 7.32 0.00 -1.26 -4.98 105.19 108.02 1whd n GLY 46 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.65 5.01 0.20 -0.02 0.00 -1.25 -4.97 105.19 102.52 1whd n GLY 47 Ca -0.30 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 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 0.67 0.39 1.61 0.13 -1.90 -2.18 132.00 130.72 1whd h PRO 48 Ca 0.00 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1whd h PRO 48 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1whd h PRO 48 CO 0.00 0.96 -0.19 0.00 -0.23 0.00 0.00 178.00 178.54 1whd h ALA 49 N 0.69 -0.52 0.21 -0.56 0.00 -1.90 -2.46 119.26 114.72 1whd h ALA 49 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1whd h ALA 49 Cb 0.84 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1whd h ALA 49 CO 0.07 -0.63 -0.22 1.49 0.00 0.00 0.00 179.25 179.96 1whd h GLU 50 N -0.86 -0.42 -0.96 0.00 4.81 -1.74 -1.64 114.58 113.78 1whd h GLU 50 Ca -0.05 0.03 0.29 0.00 -0.13 0.00 0.00 59.36 59.49 1whd h GLU 50 Cb 0.54 0.10 -0.17 0.00 0.63 0.00 0.00 28.75 29.85 1whd h GLU 50 CO 0.09 -0.28 0.18 0.00 -0.73 0.00 0.00 179.01 178.27 1whd h ARG 51 N -0.43 0.06 -0.62 1.92 3.08 -1.52 1.26 114.38 118.14 1whd h ARG 51 Ca -0.03 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1whd h ARG 51 Cb 0.38 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1whd h ARG 51 CO -0.03 0.04 0.41 0.00 -1.07 0.00 0.00 179.97 179.32 1whd h ALA 52 N 1.92 1.58 0.00 0.04 0.00 -1.02 -3.46 119.26 118.32 1whd h ALA 52 Ca 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1whd h ALA 52 Cb 1.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1whd h ALA 52 CO -0.81 0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.23 1whd n GLY 53 N -1.44 0.98 3.58 0.00 0.00 0.43 -4.96 105.19 103.79 1whd n GLY 53 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 4.08 -0.21 0.99 0.20 -0.73 -4.99 118.68 118.02 1whd s LEU 54 Ca 0.00 -0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.74 1whd s LEU 54 Cb 0.00 -2.15 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 1whd s LEU 54 CO 0.00 -0.09 -0.02 -1.58 -0.29 0.00 0.00 176.35 174.38 1whd s GLN 55 N 1.79 3.50 1.22 1.98 0.74 -1.26 -4.55 119.66 123.07 1whd s GLN 55 Ca 0.08 -0.57 -0.18 0.00 0.05 0.00 0.00 55.36 54.74 1whd s GLN 55 Cb -0.16 -3.05 0.25 0.00 1.10 0.00 0.00 33.01 31.15 1whd s GLN 55 CO 0.11 -0.10 0.57 0.00 -0.55 0.00 0.00 175.29 175.32 1whd n GLN 56 N 4.55 -2.94 -3.18 1.67 10.64 -1.26 -4.06 117.38 122.79 1whd n GLN 56 Ca -0.18 -0.86 -0.15 0.00 -1.83 0.00 0.00 57.00 53.99 1whd n GLN 56 Cb 0.51 -1.84 0.05 0.00 -0.86 0.00 0.00 30.24 28.11 1whd n GLN 56 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1whd n LEU 57 N -3.64 -2.87 -4.34 2.61 4.77 -1.21 -5.00 117.00 107.31 1whd n LEU 57 Ca 0.06 -0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 55.50 1whd n LEU 57 Cb 0.54 -2.12 -0.10 0.00 -2.33 0.00 0.00 43.42 39.41 1whd n LEU 57 CO 0.45 0.41 -0.45 1.51 -1.33 0.00 0.00 177.39 177.97 1whd s ASP 58 N -3.19 2.59 -0.19 -1.43 1.47 -1.26 -4.94 116.67 109.72 1whd s ASP 58 Ca 0.37 -0.96 -0.08 0.00 1.18 0.00 0.00 52.55 53.06 1whd s ASP 58 Cb -0.16 -0.14 -0.04 0.00 -0.34 0.00 0.00 42.92 42.23 1whd s ASP 58 CO 0.46 -0.12 0.07 -0.89 0.68 0.00 0.00 175.17 175.37 1whd s THR 59 N -2.64 4.82 -0.30 2.11 2.01 -1.26 -1.63 115.64 118.75 1whd s THR 59 Ca 0.20 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1whd s THR 59 Cb -0.03 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 1whd s THR 59 CO 0.07 0.44 1.60 -0.69 -0.69 0.00 0.00 174.62 175.35 1whd s VAL 60 N 0.56 3.71 -0.02 3.82 1.01 -1.07 -2.63 120.40 125.77 1whd s VAL 60 Ca 0.04 0.76 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 1whd s VAL 60 Cb -0.13 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1whd s VAL 60 CO 0.01 -0.43 0.31 -0.07 0.00 0.00 0.00 175.10 174.92 1whd h LEU 61 N 12.30 -0.11 -7.46 3.92 3.38 -0.06 -3.35 115.31 123.93 1whd h LEU 61 Ca -0.32 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 1whd h LEU 61 Cb 1.14 0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.72 1whd h LEU 61 CO 1.03 0.06 -0.24 0.00 0.09 0.00 0.00 178.44 179.38 1whd s GLN 62 N -1.96 0.67 -0.02 1.13 -2.07 -1.17 -2.67 119.66 113.58 1whd s GLN 62 Ca -0.02 -0.08 0.05 0.00 -1.82 0.00 0.00 55.36 53.49 1whd s GLN 62 Cb 0.00 0.30 -0.01 0.00 -1.09 0.00 0.00 33.01 32.21 1whd s GLN 62 CO 0.06 -0.18 -0.17 -1.17 -1.32 0.00 0.00 175.29 172.51 1whd s LEU 63 N -1.16 2.01 -1.51 2.60 2.96 0.79 -0.23 118.68 124.14 1whd s LEU 63 Ca -0.12 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.35 1whd s LEU 63 Cb -0.05 -0.87 0.09 0.00 0.50 0.00 0.00 46.19 45.86 1whd s LEU 63 CO 0.04 0.20 0.84 0.59 -1.32 0.00 0.00 176.35 176.70 1whd n ASN 64 N 2.75 -4.49 -1.83 3.68 5.03 -0.69 0.10 115.26 119.82 1whd n ASN 64 Ca -0.15 -0.71 -0.16 0.00 0.87 0.00 0.00 54.58 54.43 1whd n ASN 64 Cb 0.54 -3.61 -0.01 0.00 -1.02 0.00 0.00 39.78 35.68 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 -4.42 -1.29 -4.52 3.52 1.02 -1.26 -5.00 120.64 108.69 1whd n GLU 65 Ca 0.03 0.80 -0.21 0.00 -0.02 0.00 0.00 57.16 57.76 1whd n GLU 65 Cb 0.53 -5.20 -0.14 0.00 -0.02 0.00 0.00 31.44 26.61 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 -4.76 1.01 -0.08 3.49 0.52 0.11 -5.11 118.95 114.13 1whd s ARG 66 Ca 0.00 -0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 1whd s ARG 66 Cb 0.00 -0.99 -0.04 0.00 0.52 0.00 0.00 34.95 34.44 1whd s ARG 66 CO 0.00 0.26 1.51 -1.25 0.02 0.00 0.00 175.30 175.85 1whd s PRO 67 N -0.55 4.20 -0.08 3.54 0.04 -1.26 -0.15 135.00 140.75 1whd s PRO 67 Ca 0.04 2.01 0.11 0.00 0.04 0.00 0.00 61.00 63.20 1whd s PRO 67 Cb -0.06 -3.88 0.17 0.00 0.04 0.00 0.00 34.50 30.77 1whd s PRO 67 CO 0.00 -0.78 1.06 1.33 0.04 0.00 0.00 177.00 178.65 1whd n VAL 68 N 5.38 1.30 0.27 -0.36 0.24 -1.09 -4.72 118.33 119.35 1whd n VAL 68 Ca 0.16 -1.53 0.13 0.00 -2.04 0.00 0.00 64.34 61.06 1whd n VAL 68 Cb 0.43 0.08 0.75 0.00 -1.47 0.00 0.00 33.84 33.63 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 0.00 0.00 -0.08 7.34 5.08 -1.68 -2.49 114.58 122.75 1whd h GLU 69 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1whd h GLU 69 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1whd h GLU 69 CO 0.00 0.11 -0.44 0.72 -1.00 0.00 0.00 179.01 178.40 1whd n HIS 70 N -3.59 0.27 -3.85 4.33 8.25 -1.26 -3.88 115.22 115.49 1whd n HIS 70 Ca -0.02 -1.54 -0.31 0.00 -0.26 0.00 0.00 57.72 55.59 1whd n HIS 70 Cb 0.23 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 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 -3.26 3.50 0.09 4.41 0.52 -0.94 -4.79 118.94 118.47 1whd s TRP 71 Ca 0.40 0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.85 1whd s TRP 71 Cb 0.38 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.84 1whd s TRP 71 CO -0.06 0.54 0.21 0.15 0.02 0.00 0.00 176.95 177.81 1whd s LYS 72 N -2.63 3.35 0.21 4.98 -0.14 -1.26 -2.02 119.74 122.23 1whd s LYS 72 Ca 0.37 -0.52 -0.03 0.00 -1.36 0.00 0.00 55.97 54.42 1whd s LYS 72 Cb -0.13 -2.97 0.41 0.00 -1.68 0.00 0.00 37.83 33.46 1whd s LYS 72 CO 0.27 0.58 1.10 0.00 -0.76 0.00 0.00 175.35 176.54 1whd h VAL 74 N 0.00 0.00 -0.81 0.00 2.07 -1.94 -0.20 116.25 115.37 1whd h VAL 74 Ca 0.37 -0.15 0.19 0.00 0.82 0.00 0.00 66.70 67.93 1whd h VAL 74 Cb 0.65 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.28 1whd h VAL 74 CO -0.70 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 176.51 1whd h GLU 75 N -1.05 0.06 0.11 1.57 5.08 -1.03 -1.64 114.58 117.69 1whd h GLU 75 Ca -0.09 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1whd h GLU 75 Cb 0.69 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1whd h GLU 75 CO 0.15 0.04 -0.05 1.25 -1.00 0.00 0.00 179.01 179.40 1whd h LEU 76 N 0.06 -0.13 -1.16 1.33 5.85 -0.73 -2.97 115.31 117.57 1whd h LEU 76 Ca 0.44 0.00 0.37 0.00 0.84 0.00 0.00 57.88 59.53 1whd h LEU 76 Cb 0.77 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 1whd h LEU 76 CO -0.76 -0.08 0.79 0.00 -0.34 0.00 0.00 178.44 178.05 1whd n ALA 77 N -2.09 1.13 0.03 1.25 0.00 -0.09 0.20 120.51 120.93 1whd n ALA 77 Ca -0.02 0.55 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 1whd n ALA 77 Cb 0.06 -0.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 0.01 0.58 0.00 -0.00 -1.14 -2.76 115.15 111.84 1whd h HIS 78 Ca 0.64 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.98 1whd h HIS 78 Cb 2.29 -0.00 0.01 0.00 -0.00 0.00 0.00 27.41 29.71 1whd h HIS 78 CO -0.00 0.06 -0.28 0.93 -0.00 0.00 0.00 177.93 178.64 1whd h GLU 79 N -0.04 -0.75 -1.38 5.26 4.39 0.22 -2.74 114.58 119.54 1whd h GLU 79 Ca 0.00 0.05 0.40 0.00 0.34 0.00 0.00 59.36 60.15 1whd h GLU 79 Cb 0.05 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 1whd h GLU 79 CO -0.00 -0.44 1.20 0.82 -1.16 0.00 0.00 179.01 179.43 1whd h ILE 80 N -1.01 0.08 0.15 3.13 2.04 -1.49 1.77 117.51 122.19 1whd h ILE 80 Ca -0.08 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.49 1whd h ILE 80 Cb 0.66 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1whd h ILE 80 CO 0.13 0.00 -1.31 0.03 0.00 0.00 0.00 178.15 177.00 1whd h ARG 81 N 0.00 0.33 -1.11 2.37 2.47 -1.20 -3.31 114.38 113.93 1whd h ARG 81 Ca 0.66 -0.56 0.41 0.00 -1.26 0.00 0.00 59.98 59.22 1whd h ARG 81 Cb 3.06 0.21 -0.14 0.00 -1.65 0.00 0.00 29.97 31.45 1whd h ARG 81 CO -0.01 1.26 0.68 0.43 0.56 0.00 0.00 179.97 182.90 1whd n SER 82 N -3.57 0.23 -4.05 7.04 7.64 0.60 -3.04 113.62 118.48 1whd n SER 82 Ca -0.11 1.32 -0.32 0.00 1.01 0.00 0.00 58.87 60.77 1whd n SER 82 Cb 1.04 -0.65 -0.14 0.00 -1.01 0.00 0.00 64.21 63.46 1whd n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1whd h PRO 84 N 7.73 0.00 0.00 0.00 0.13 -1.80 -3.34 132.00 134.73 1whd h PRO 84 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1whd h PRO 84 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1whd h PRO 84 CO 0.57 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.21 1whd n SER 85 N -2.60 0.00 -3.87 1.44 3.41 -1.26 -4.41 113.62 106.32 1whd n SER 85 Ca 0.01 0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 1whd n SER 85 Cb 0.26 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 1whd n SER 85 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1whd s GLU 86 N -0.46 0.63 0.07 4.33 2.02 -1.25 -1.08 118.70 122.95 1whd s GLU 86 Ca 0.00 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.38 1whd s GLU 86 Cb 0.00 0.26 -0.03 0.00 0.10 0.00 0.00 34.13 34.45 1whd s GLU 86 CO 0.00 -0.17 -0.06 0.96 0.02 0.00 0.00 175.26 176.01 1whd s ILE 87 N -2.37 0.53 -0.33 -1.63 -0.00 -0.83 -4.79 121.20 111.76 1whd s ILE 87 Ca -0.07 -1.59 -0.05 0.00 -0.00 0.00 0.00 60.65 58.94 1whd s ILE 87 Cb -0.02 -1.24 0.05 0.00 -0.00 0.00 0.00 42.46 41.25 1whd s ILE 87 CO -0.03 -0.73 0.08 -0.63 -0.00 0.00 0.00 174.94 173.63 1whd s ILE 88 N -2.88 3.48 -0.32 8.37 1.01 -1.26 -2.42 121.20 127.18 1whd s ILE 88 Ca 0.03 -1.31 -0.04 0.00 0.00 0.00 0.00 60.65 59.33 1whd s ILE 88 Cb 0.00 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.50 1whd s ILE 88 CO -0.04 -0.21 0.06 -1.48 0.00 0.00 0.00 174.94 173.27 1whd s LEU 89 N 1.33 4.17 0.03 2.97 2.34 -1.19 -1.70 118.68 126.63 1whd s LEU 89 Ca -0.02 -1.26 -0.26 0.00 0.06 0.00 0.00 54.13 52.64 1whd s LEU 89 Cb -0.20 -1.79 -0.05 0.00 -0.56 0.00 0.00 46.19 43.59 1whd s LEU 89 CO 0.01 -0.31 0.82 -0.22 -1.06 0.00 0.00 176.35 175.59 1whd s LEU 90 N 1.31 4.42 0.24 1.48 2.96 0.67 -2.81 118.68 126.95 1whd s LEU 90 Ca -0.03 1.50 0.04 0.00 -0.22 0.00 0.00 54.13 55.42 1whd s LEU 90 Cb -0.20 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1whd s LEU 90 CO 0.00 -0.06 -0.02 0.68 -1.32 0.00 0.00 176.35 175.64 1whd s VAL 91 N 0.25 1.15 -0.10 1.68 -7.23 0.33 0.69 120.40 117.18 1whd s VAL 91 Ca 0.42 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1whd s VAL 91 Cb -0.21 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1whd s VAL 91 CO 0.24 -0.34 -0.09 0.86 -0.31 0.00 0.00 175.10 175.46 1whd s TRP 92 N -3.34 2.88 0.22 2.82 -0.11 -1.08 0.09 118.94 120.42 1whd s TRP 92 Ca 0.28 -0.22 0.11 0.00 1.22 0.00 0.00 56.10 57.49 1whd s TRP 92 Cb 0.05 -1.77 -0.05 0.00 -1.50 0.00 0.00 33.47 30.20 1whd s TRP 92 CO 0.09 0.11 -0.22 0.50 -4.62 0.00 0.00 176.95 172.81 1whd s ARG 93 N -0.31 1.55 -0.14 5.86 6.06 -0.29 -4.29 118.95 127.38 1whd s ARG 93 Ca 0.04 -1.59 0.00 0.00 -2.50 0.00 0.00 55.73 51.68 1whd s ARG 93 Cb -0.13 -1.78 0.02 0.00 0.06 0.00 0.00 34.95 33.13 1whd s ARG 93 CO 0.02 0.37 -0.12 0.08 -2.50 0.00 0.00 175.30 173.15 1whd s VAL 94 N -1.97 1.41 -0.50 7.11 1.01 -1.26 0.38 120.40 126.58 1whd s VAL 94 Ca 0.23 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1whd s VAL 94 Cb -0.07 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.09 1whd s VAL 94 CO 0.11 0.43 0.41 -0.55 0.00 0.00 0.00 175.10 175.50 1whd s SER 95 N 1.55 5.91 -0.31 3.32 0.15 -1.26 -4.89 113.70 118.18 1whd s SER 95 Ca 0.05 -1.85 -0.13 0.00 0.70 0.00 0.00 55.95 54.72 1whd s SER 95 Cb -0.13 -2.10 0.19 0.00 -1.71 0.00 0.00 66.02 62.27 1whd s SER 95 CO -0.10 -0.76 1.13 -0.83 1.20 0.00 0.00 173.24 173.87 1whd s GLY 96 N 3.06 -1.41 -0.15 9.45 0.00 -1.26 -4.70 107.32 112.31 1whd s GLY 96 Ca 0.05 1.68 -0.29 0.00 0.00 0.00 0.00 44.72 46.16 1whd s GLY 96 CO 0.01 4.36 1.56 2.56 0.00 0.00 0.00 173.10 181.60 1whd s PRO 97 N 2.24 4.01 0.11 2.90 0.04 -1.26 -4.99 135.00 138.06 1whd s PRO 97 Ca 0.19 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1whd s PRO 97 Cb 0.03 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.63 1whd s PRO 97 CO -0.18 -1.03 0.35 0.45 0.04 0.00 0.00 177.00 176.64 1whd s SER 98 N 3.50 -0.15 -0.37 6.66 0.15 -1.26 -5.14 113.70 117.10 1whd s SER 98 Ca 0.69 -0.38 -0.16 0.00 0.70 0.00 0.00 55.95 56.80 1whd s SER 98 Cb -0.27 0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1whd s SER 98 CO 0.27 -0.81 0.41 -0.94 1.20 0.00 0.00 173.24 173.37 1whd s SER 99 N -2.77 6.21 0.00 5.45 1.04 -1.26 -5.31 113.70 117.06 1whd s SER 99 Ca 0.03 -0.31 0.30 0.00 0.48 0.00 0.00 55.95 56.44 1whd s SER 99 Cb 0.02 -2.22 1.44 0.00 0.10 0.00 0.00 66.02 65.37 1whd s SER 99 CO -0.11 -0.44 1.97 0.61 0.98 0.00 0.00 173.24 176.25