#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd h SER 2 N 0.00 0.34 -3.08 1.61 0.87 -2.09 -3.39 113.55 107.81 1whd h SER 2 Ca 0.00 -0.61 -0.61 0.00 -1.23 0.00 0.00 61.79 59.34 1whd h SER 2 Cb 0.00 -0.10 -0.41 0.00 -0.44 0.00 0.00 62.40 61.45 1whd h SER 2 CO 0.00 0.89 -0.69 -0.55 -0.53 0.00 0.00 176.83 175.95 1whd s SER 3 N -6.25 3.84 0.00 6.23 0.15 -1.26 -5.07 113.70 111.35 1whd s SER 3 Ca -0.15 -3.45 0.00 0.00 0.70 0.00 0.00 55.95 53.06 1whd s SER 3 Cb 0.04 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1whd s SER 3 CO 0.76 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.67 1whd n GLY 4 N 2.47 -0.53 3.63 9.45 0.00 -1.26 -5.11 105.19 113.84 1whd n GLY 4 Ca 0.19 -2.26 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 1whd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whd s SER 5 N -1.46 -0.21 0.79 1.61 1.04 -1.26 -4.62 113.70 109.59 1whd s SER 5 Ca 0.00 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.66 1whd s SER 5 Cb 0.00 0.34 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1whd s SER 5 CO 0.00 -0.11 1.13 -0.55 0.98 0.00 0.00 173.24 174.70 1whd s SER 6 N -0.27 4.07 0.00 7.02 0.15 -1.26 -3.37 113.70 120.04 1whd s SER 6 Ca 0.05 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.76 1whd s SER 6 Cb -0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1whd s SER 6 CO -0.09 -2.33 0.00 0.61 1.20 0.00 0.00 173.24 172.63 1whd n GLY 7 N -0.39 1.83 0.27 9.45 0.00 -1.26 -4.81 105.19 110.29 1whd n GLY 7 Ca 0.11 -0.30 0.17 0.00 0.00 0.00 0.00 46.02 46.00 1whd n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1whd n GLU 8 N 0.00 -0.06 -0.25 1.61 0.00 -1.22 -4.42 120.64 116.30 1whd n GLU 8 Ca 0.00 1.18 -0.27 0.00 0.00 0.00 0.00 57.16 58.07 1whd n GLU 8 Cb 0.00 -1.97 0.27 0.00 0.00 0.00 0.00 31.44 29.74 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1whd n GLY 9 N -1.34 -3.65 4.01 8.31 0.00 -1.26 -3.98 105.19 107.27 1whd n GLY 9 Ca 0.23 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1whd n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1whd n ASP 10 N -5.08 -1.71 -3.89 1.61 2.03 -1.26 -4.93 116.55 103.32 1whd n ASP 10 Ca 0.12 -1.13 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 1whd n ASP 10 Cb 0.54 -2.52 0.23 0.00 -0.72 0.00 0.00 41.12 38.65 1whd n ASP 10 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1whd s PRO 11 N -6.80 -1.09 -0.23 -0.67 0.04 -1.26 -5.04 135.00 119.95 1whd s PRO 11 Ca 0.19 -0.02 -0.03 0.00 0.04 0.00 0.00 61.00 61.17 1whd s PRO 11 Cb -0.08 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1whd s PRO 11 CO 0.92 -3.63 -0.05 -1.21 0.04 0.00 0.00 177.00 173.07 1whd s GLU 12 N -5.37 3.20 0.00 4.56 8.01 -1.26 -5.02 118.70 122.82 1whd s GLU 12 Ca 0.70 -0.74 0.00 0.00 0.01 0.00 0.00 54.97 54.95 1whd s GLU 12 Cb -0.10 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.72 1whd s GLU 12 CO 0.56 -0.26 0.00 0.27 0.01 0.00 0.00 175.26 175.84 1whd n ASN 13 N 4.76 0.00 -4.78 -0.19 0.23 -1.26 -4.95 115.26 109.07 1whd n ASN 13 Ca -0.18 0.20 -0.33 0.00 -0.53 0.00 0.00 54.58 53.74 1whd n ASN 13 Cb 0.50 -0.29 0.04 0.00 -2.08 0.00 0.00 39.78 37.95 1whd n ASN 13 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1whd s GLY 14 N -1.77 2.16 0.04 4.83 0.00 -1.26 -4.32 107.32 106.99 1whd s GLY 14 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 1whd s GLY 14 CO 0.00 0.88 0.04 1.85 0.00 0.00 0.00 173.10 175.87 1whd s GLU 15 N -4.08 0.55 -0.38 2.90 2.56 -0.81 -4.97 118.70 114.46 1whd s GLU 15 Ca 0.67 -0.85 -0.29 0.00 0.00 0.00 0.00 54.97 54.50 1whd s GLU 15 Cb -0.20 0.21 0.01 0.00 2.00 0.00 0.00 34.13 36.14 1whd s GLU 15 CO 0.41 -0.12 1.37 0.15 -0.56 0.00 0.00 175.26 176.51 1whd s LYS 16 N -2.75 3.68 -0.08 4.30 1.02 -1.26 -3.46 119.74 121.19 1whd s LYS 16 Ca -0.04 1.03 0.03 0.00 0.02 0.00 0.00 55.97 57.01 1whd s LYS 16 Cb -0.00 -3.98 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 1whd s LYS 16 CO -0.05 -1.43 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.27 1whd s LEU 17 N 5.09 2.55 -0.12 3.17 1.43 -1.11 -5.03 118.68 124.66 1whd s LEU 17 Ca 0.60 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1whd s LEU 17 Cb -0.14 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1whd s LEU 17 CO 0.30 0.25 0.13 -1.58 0.23 0.00 0.00 176.35 175.68 1whd s GLN 18 N -0.14 3.46 -0.06 1.70 0.74 -1.26 -2.88 119.66 121.22 1whd s GLN 18 Ca -0.02 -0.15 -0.05 0.00 0.05 0.00 0.00 55.36 55.19 1whd s GLN 18 Cb -0.14 -3.18 0.02 0.00 1.10 0.00 0.00 33.01 30.81 1whd s GLN 18 CO 0.04 0.75 0.15 0.42 -0.55 0.00 0.00 175.29 176.10 1whd s ILE 19 N -0.95 -0.01 0.09 -2.34 -1.09 -1.05 -5.03 121.20 110.82 1whd s ILE 19 Ca 0.15 0.03 0.05 0.00 -2.23 0.00 0.00 60.65 58.64 1whd s ILE 19 Cb -0.12 -0.23 -0.04 0.00 -1.58 0.00 0.00 42.46 40.49 1whd s ILE 19 CO 0.04 0.01 0.01 0.28 -1.23 0.00 0.00 174.94 174.05 1whd s THR 20 N 0.29 4.10 -0.16 2.92 -1.32 -1.26 -1.81 115.64 118.40 1whd s THR 20 Ca -0.02 -0.97 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1whd s THR 20 Cb -0.03 -2.96 0.01 0.00 -1.51 0.00 0.00 72.50 68.00 1whd s THR 20 CO -0.01 0.11 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.69 1whd s ILE 21 N -1.34 2.30 -0.51 5.08 1.01 -0.68 -4.75 121.20 122.31 1whd s ILE 21 Ca 0.26 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 1whd s ILE 21 Cb -0.12 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.45 1whd s ILE 21 CO 0.19 0.53 0.77 -0.13 0.00 0.00 0.00 174.94 176.30 1whd s ARG 22 N 0.94 3.26 -0.69 2.79 3.00 -1.26 -2.64 118.95 124.36 1whd s ARG 22 Ca -0.04 -0.47 -0.26 0.00 0.00 0.00 0.00 55.73 54.96 1whd s ARG 22 Cb -0.15 -4.04 -0.02 0.00 0.00 0.00 0.00 34.95 30.74 1whd s ARG 22 CO -0.04 -1.28 1.81 0.50 0.00 0.00 0.00 175.30 176.29 1whd s ARG 23 N 3.25 2.69 -0.03 3.54 3.52 0.35 -4.62 118.95 127.65 1whd s ARG 23 Ca 0.24 0.32 0.11 0.00 -0.13 0.00 0.00 55.73 56.27 1whd s ARG 23 Cb -0.15 -4.52 0.19 0.00 -1.56 0.00 0.00 34.95 28.92 1whd s ARG 23 CO 0.17 -2.79 1.10 0.41 -0.81 0.00 0.00 175.30 173.38 1whd n GLY 24 N 5.91 0.81 3.22 8.12 0.00 -1.16 -4.71 105.19 117.38 1whd n GLY 24 Ca 0.23 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1whd n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1whd s LYS 25 N -0.13 0.41 -1.24 1.61 1.02 -1.26 -4.95 119.74 115.20 1whd s LYS 25 Ca 0.13 0.78 -0.16 0.00 0.02 0.00 0.00 55.97 56.75 1whd s LYS 25 Cb 0.17 0.44 0.16 0.00 -0.52 0.00 0.00 37.83 38.09 1whd s LYS 25 CO -0.07 -0.39 0.39 -0.40 -0.92 0.00 0.00 175.35 173.97 1whd n ASP 26 N 5.40 -1.29 0.00 2.83 5.68 -1.26 -4.11 116.55 123.80 1whd n ASP 26 Ca -0.05 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 1whd n ASP 26 Cb 0.52 -1.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 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 -0.85 0.19 0.11 6.12 0.00 -1.26 -4.67 105.19 104.82 1whd n GLY 27 Ca 0.08 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 1whd n GLY 27 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1whd h PHE 28 N 0.00 0.31 0.00 1.61 0.04 -1.91 -3.06 116.94 113.93 1whd h PHE 28 Ca 0.00 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1whd h PHE 28 Cb 0.00 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1whd h PHE 28 CO 0.00 1.39 0.00 0.41 -0.60 0.00 0.00 178.31 179.51 1whd n GLY 29 N 1.73 3.21 3.87 -1.45 0.00 -1.26 -4.40 105.19 106.90 1whd n GLY 29 Ca -0.21 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 3.46 -0.10 1.61 -0.71 -1.26 -3.76 117.98 117.22 1whd s PHE 30 Ca 0.00 0.89 0.01 0.00 -1.04 0.00 0.00 56.93 56.79 1whd s PHE 30 Cb 0.00 -2.27 -0.02 0.00 -1.21 0.00 0.00 43.02 39.53 1whd s PHE 30 CO 0.00 0.30 -0.14 0.99 -1.34 0.00 0.00 175.22 175.04 1whd s THR 31 N -1.75 3.04 -0.08 -4.49 2.01 -0.69 -5.00 115.64 108.68 1whd s THR 31 Ca 0.45 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1whd s THR 31 Cb -0.12 -2.24 0.05 0.00 0.01 0.00 0.00 72.50 70.19 1whd s THR 31 CO 0.21 0.55 0.17 0.27 -0.69 0.00 0.00 174.62 175.13 1whd s ILE 32 N -0.05 -0.20 -0.19 1.82 -5.25 -1.26 -1.68 121.20 114.39 1whd s ILE 32 Ca -0.03 0.28 -0.07 0.00 -0.99 0.00 0.00 60.65 59.84 1whd s ILE 32 Cb -0.14 -0.30 0.08 0.00 2.95 0.00 0.00 42.46 45.05 1whd s ILE 32 CO 0.04 0.12 0.41 0.00 -1.79 0.00 0.00 174.94 173.72 1whd s ASP 35 N -3.49 4.44 -0.25 0.00 1.47 -1.26 -1.49 116.67 116.07 1whd s ASP 35 Ca 0.25 -0.21 -0.29 0.00 1.18 0.00 0.00 52.55 53.49 1whd s ASP 35 Cb -0.02 -1.66 -0.13 0.00 -0.34 0.00 0.00 42.92 40.77 1whd s ASP 35 CO 0.02 0.18 0.94 -1.54 0.68 0.00 0.00 175.17 175.45 1whd n SER 36 N 3.44 0.61 -4.77 2.11 3.41 -0.94 -4.04 113.62 113.43 1whd n SER 36 Ca -0.18 0.74 -0.35 0.00 -0.26 0.00 0.00 58.87 58.82 1whd n SER 36 Cb 0.53 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.52 3.38 0.32 4.33 0.04 -1.25 -4.96 135.00 138.37 1whd s PRO 37 Ca 0.64 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1whd s PRO 37 Cb -0.91 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 1whd s PRO 37 CO 0.48 -0.83 0.76 0.08 0.04 0.00 0.00 177.00 177.53 1whd s VAL 38 N -1.76 4.62 0.23 -0.36 1.01 -1.26 -4.93 120.40 117.96 1whd s VAL 38 Ca 0.72 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1whd s VAL 38 Cb -0.24 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1whd s VAL 38 CO 0.27 -0.13 0.13 -0.13 0.00 0.00 0.00 175.10 175.24 1whd s ARG 39 N -2.82 1.32 0.07 2.72 0.52 -1.26 -1.36 118.95 118.14 1whd s ARG 39 Ca 0.53 -1.71 -0.20 0.00 -0.52 0.00 0.00 55.73 53.83 1whd s ARG 39 Cb -0.11 0.08 -0.07 0.00 0.52 0.00 0.00 34.95 35.37 1whd s ARG 39 CO 0.18 -0.38 0.58 0.08 0.02 0.00 0.00 175.30 175.78 1whd s VAL 40 N -3.96 4.75 -0.19 3.52 1.01 -0.29 -3.79 120.40 121.44 1whd s VAL 40 Ca 0.38 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.42 1whd s VAL 40 Cb 0.07 -3.91 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 1whd s VAL 40 CO 0.14 0.54 0.13 -0.61 0.00 0.00 0.00 175.10 175.29 1whd h GLN 41 N 4.68 0.00 -1.76 2.72 5.75 -1.63 -3.34 115.11 121.53 1whd h GLN 41 Ca -0.49 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.19 1whd h GLN 41 Cb 1.21 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 29.58 1whd h GLN 41 CO 0.64 0.78 0.67 0.00 -2.65 0.00 0.00 178.83 178.27 1whd s ALA 42 N -2.44 -1.97 -0.04 3.38 0.00 -0.93 -4.79 121.76 114.97 1whd s ALA 42 Ca -0.26 1.40 0.04 0.00 0.00 0.00 0.00 51.96 53.14 1whd s ALA 42 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1whd s ALA 42 CO 0.51 -0.58 -0.14 0.08 0.00 0.00 0.00 175.76 175.64 1whd s VAL 43 N -2.45 3.13 0.16 0.00 1.01 -1.26 -1.70 120.40 119.29 1whd s VAL 43 Ca 0.06 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1whd s VAL 43 Cb -0.01 -2.25 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 1whd s VAL 43 CO -0.06 0.56 0.95 -0.62 0.00 0.00 0.00 175.10 175.94 1whd s ASP 44 N -0.84 7.55 -0.08 3.32 2.15 -1.25 -5.00 116.67 122.51 1whd s ASP 44 Ca 0.12 1.85 -0.30 0.00 0.43 0.00 0.00 52.55 54.66 1whd s ASP 44 Cb -0.11 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 1whd s ASP 44 CO 0.01 0.02 1.06 -0.55 -0.17 0.00 0.00 175.17 175.54 1whd s SER 45 N -0.43 7.20 -0.38 -0.34 0.15 -1.26 -3.59 113.70 115.06 1whd s SER 45 Ca 0.45 1.63 -0.02 0.00 0.70 0.00 0.00 55.95 58.70 1whd s SER 45 Cb -0.24 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1whd s SER 45 CO 0.31 -0.47 0.33 0.61 1.20 0.00 0.00 173.24 175.21 1whd n GLY 46 N 3.16 0.50 2.99 9.45 0.00 -1.26 -5.06 105.19 114.96 1whd n GLY 46 Ca 0.09 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.94 3.58 0.17 -0.02 0.00 -1.24 -4.98 105.19 101.76 1whd n GLY 47 Ca -0.01 -2.27 -0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 0.06 -0.01 1.61 0.13 -1.82 -1.11 132.00 130.86 1whd h PRO 48 Ca -0.33 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1whd h PRO 48 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1whd h PRO 48 CO 0.54 0.53 -0.07 0.00 -0.23 0.00 0.00 178.00 178.77 1whd h ALA 49 N 1.47 0.02 0.57 -0.56 0.00 -1.86 -2.87 119.26 116.03 1whd h ALA 49 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1whd h ALA 49 Cb 0.87 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1whd h ALA 49 CO 0.07 -0.09 -0.27 1.49 0.00 0.00 0.00 179.25 180.44 1whd h GLU 50 N -0.59 -0.74 -0.83 0.00 4.81 -1.75 0.30 114.58 115.79 1whd h GLU 50 Ca -0.01 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.47 1whd h GLU 50 Cb 0.75 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.15 1whd h GLU 50 CO 0.01 -0.45 -0.00 0.00 -0.73 0.00 0.00 179.01 177.84 1whd h ARG 51 N -1.14 0.08 -0.63 1.92 3.08 -1.36 0.73 114.38 117.06 1whd h ARG 51 Ca -0.08 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1whd h ARG 51 Cb 0.63 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1whd h ARG 51 CO 0.13 0.05 0.42 0.00 -1.07 0.00 0.00 179.97 179.50 1whd h ALA 52 N 1.79 1.75 0.00 0.04 0.00 -1.52 -3.46 119.26 117.86 1whd h ALA 52 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1whd h ALA 52 Cb 0.84 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1whd h ALA 52 CO -0.75 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.07 1whd n GLY 53 N -1.47 0.88 3.56 0.00 0.00 0.25 -4.96 105.19 103.46 1whd n GLY 53 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 3.89 -0.10 0.99 0.20 0.07 -4.95 118.68 118.79 1whd s LEU 54 Ca 0.00 -0.05 -0.01 0.00 0.69 0.00 0.00 54.13 54.76 1whd s LEU 54 Cb 0.00 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.66 1whd s LEU 54 CO 0.00 -0.04 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.39 1whd s GLN 55 N 1.70 3.06 1.01 1.98 0.74 -1.26 -4.41 119.66 122.47 1whd s GLN 55 Ca 0.07 -0.52 -0.17 0.00 0.05 0.00 0.00 55.36 54.78 1whd s GLN 55 Cb -0.16 -2.71 0.25 0.00 1.10 0.00 0.00 33.01 31.49 1whd s GLN 55 CO 0.09 0.54 0.94 0.00 -0.55 0.00 0.00 175.29 176.31 1whd n GLN 56 N 2.61 -2.60 -3.46 1.67 10.64 -1.26 -4.31 117.38 120.66 1whd n GLN 56 Ca -0.18 -1.50 -0.21 0.00 -1.83 0.00 0.00 57.00 53.29 1whd n GLN 56 Cb 0.53 -1.35 0.07 0.00 -0.86 0.00 0.00 30.24 28.63 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 0.00 -3.23 -4.43 2.61 4.77 -1.25 -5.00 117.00 110.46 1whd n LEU 57 Ca 0.13 -0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 55.42 1whd n LEU 57 Cb 0.49 -2.72 -0.10 0.00 -2.33 0.00 0.00 43.42 38.75 1whd n LEU 57 CO 0.34 0.58 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.78 1whd s ASP 58 N -3.28 2.93 -0.19 -1.43 1.11 -1.26 -4.94 116.67 109.61 1whd s ASP 58 Ca 0.52 -1.15 -0.05 0.00 0.18 0.00 0.00 52.55 52.05 1whd s ASP 58 Cb -0.23 -0.20 -0.03 0.00 1.07 0.00 0.00 42.92 43.54 1whd s ASP 58 CO 0.64 -0.26 -0.00 -0.89 1.18 0.00 0.00 175.17 175.84 1whd s THR 59 N -2.91 4.03 -0.36 -1.27 2.01 -1.26 -1.14 115.64 114.75 1whd s THR 59 Ca 0.29 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1whd s THR 59 Cb 0.02 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1whd s THR 59 CO 0.12 0.44 1.37 -0.69 -0.69 0.00 0.00 174.62 175.17 1whd s VAL 60 N 0.81 3.99 -0.11 3.82 1.01 -0.46 -2.93 120.40 126.53 1whd s VAL 60 Ca 0.01 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 1whd s VAL 60 Cb -0.14 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 1whd s VAL 60 CO 0.02 -0.63 -0.09 -0.07 0.00 0.00 0.00 175.10 174.34 1whd h LEU 61 N 11.62 0.00 -7.62 3.92 3.38 -1.76 -3.41 115.31 121.44 1whd h LEU 61 Ca -0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 1whd h LEU 61 Cb 1.10 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.59 1whd h LEU 61 CO 1.06 0.57 -0.56 0.00 0.09 0.00 0.00 178.44 179.60 1whd s GLN 62 N -1.83 0.18 -0.03 1.13 -2.07 -1.25 -2.50 119.66 113.29 1whd s GLN 62 Ca -0.07 0.11 0.03 0.00 -1.82 0.00 0.00 55.36 53.61 1whd s GLN 62 Cb 0.01 0.09 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 1whd s GLN 62 CO 0.11 -0.03 -0.11 -1.17 -1.32 0.00 0.00 175.29 172.77 1whd s LEU 63 N -0.10 2.92 -1.73 2.60 2.96 0.21 -1.36 118.68 124.17 1whd s LEU 63 Ca -0.02 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 1whd s LEU 63 Cb -0.02 -1.64 0.15 0.00 0.50 0.00 0.00 46.19 45.18 1whd s LEU 63 CO 0.00 0.32 0.47 0.59 -1.32 0.00 0.00 176.35 176.41 1whd n ASN 64 N 2.03 -1.27 -2.26 3.68 3.02 0.85 0.20 115.26 121.52 1whd n ASN 64 Ca -0.17 -1.20 -0.17 0.00 -0.03 0.00 0.00 54.58 53.01 1whd n ASN 64 Cb 0.52 -1.92 0.02 0.00 -0.61 0.00 0.00 39.78 37.80 1whd n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1whd n GLU 65 N -4.28 -3.12 -4.35 3.52 1.02 -1.26 -5.01 120.64 107.16 1whd n GLU 65 Ca -0.04 0.74 -0.18 0.00 -0.02 0.00 0.00 57.16 57.66 1whd n GLU 65 Cb 0.54 -5.19 -0.14 0.00 -0.02 0.00 0.00 31.44 26.63 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 -5.26 0.74 -0.02 3.49 0.52 0.53 -5.12 118.95 113.83 1whd s ARG 66 Ca 0.17 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 1whd s ARG 66 Cb -0.07 -0.70 -0.05 0.00 0.52 0.00 0.00 34.95 34.64 1whd s ARG 66 CO 0.21 0.19 1.46 -1.25 0.02 0.00 0.00 175.30 175.93 1whd s PRO 67 N -0.40 4.25 -0.06 3.54 0.04 -1.26 0.65 135.00 141.75 1whd s PRO 67 Ca 0.02 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.18 1whd s PRO 67 Cb -0.04 -3.66 0.18 0.00 0.04 0.00 0.00 34.50 31.02 1whd s PRO 67 CO -0.00 -0.65 1.09 1.33 0.04 0.00 0.00 177.00 178.81 1whd n VAL 68 N 4.86 0.84 0.24 -0.36 0.24 -1.04 -4.80 118.33 118.31 1whd n VAL 68 Ca 0.14 -1.16 0.07 0.00 -2.04 0.00 0.00 64.34 61.36 1whd n VAL 68 Cb 0.43 0.24 0.57 0.00 -1.47 0.00 0.00 33.84 33.61 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 0.19 0.00 -0.34 7.34 5.08 -1.77 -2.22 114.58 122.85 1whd h GLU 69 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1whd h GLU 69 Cb 1.28 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.44 1whd h GLU 69 CO 0.01 0.15 -0.05 1.58 -1.00 0.00 0.00 179.01 179.70 1whd n HIS 70 N -4.21 1.08 -4.01 4.33 -0.00 -1.26 -3.87 115.22 107.28 1whd n HIS 70 Ca -0.02 -1.48 -0.27 0.00 0.46 0.00 0.00 57.72 56.41 1whd n HIS 70 Cb 0.22 -0.47 -0.04 0.00 -0.12 0.00 0.00 29.99 29.58 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1whd s TRP 71 N -3.18 3.33 0.25 1.57 0.52 -0.84 -4.85 118.94 115.75 1whd s TRP 71 Ca 0.44 0.07 0.09 0.00 0.02 0.00 0.00 56.10 56.72 1whd s TRP 71 Cb 0.40 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 31.07 1whd s TRP 71 CO 0.01 0.52 0.00 0.15 0.02 0.00 0.00 176.95 177.66 1whd s LYS 72 N -3.09 2.33 0.21 4.98 1.02 -1.26 -2.22 119.74 121.72 1whd s LYS 72 Ca 0.33 -1.36 -0.01 0.00 0.02 0.00 0.00 55.97 54.95 1whd s LYS 72 Cb -0.11 -2.21 0.48 0.00 -0.52 0.00 0.00 37.83 35.48 1whd s LYS 72 CO 0.26 0.38 1.10 0.00 -0.92 0.00 0.00 175.35 176.17 1whd h VAL 74 N 0.00 0.26 -0.52 0.00 2.07 -1.95 0.40 116.25 116.51 1whd h VAL 74 Ca 0.40 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.70 1whd h VAL 74 Cb 0.78 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 1whd h VAL 74 CO -0.68 0.03 -0.15 -0.08 0.02 0.00 0.00 177.57 176.71 1whd h GLU 75 N -1.05 -0.03 0.58 1.57 4.81 -0.56 -1.34 114.58 118.55 1whd h GLU 75 Ca -0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1whd h GLU 75 Cb 0.67 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.06 1whd h GLU 75 CO 0.13 -0.02 -0.28 1.25 -0.73 0.00 0.00 179.01 179.37 1whd h LEU 76 N -0.03 -0.65 -1.17 1.64 5.85 -0.66 -3.08 115.31 117.21 1whd h LEU 76 Ca 0.25 -0.03 0.43 0.00 0.84 0.00 0.00 57.88 59.38 1whd h LEU 76 Cb 0.41 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.46 1whd h LEU 76 CO -0.55 -0.27 0.71 0.00 -0.34 0.00 0.00 178.44 177.98 1whd n ALA 77 N -2.65 1.17 -0.15 1.25 0.00 0.14 0.17 120.51 120.44 1whd n ALA 77 Ca -0.11 0.88 -0.09 0.00 0.00 0.00 0.00 53.44 54.13 1whd n ALA 77 Cb 0.33 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 1whd n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whd h HIS 78 N 0.00 0.68 -0.35 0.00 3.86 -1.16 -1.72 115.15 116.45 1whd h HIS 78 Ca 0.83 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.92 1whd h HIS 78 Cb 2.48 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 30.73 1whd h HIS 78 CO -0.01 0.59 0.00 1.49 0.86 0.00 0.00 177.93 180.87 1whd h GLU 79 N 0.56 0.62 0.51 2.45 4.81 0.18 -2.94 114.58 120.76 1whd h GLU 79 Ca 0.14 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1whd h GLU 79 Cb 0.21 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1whd h GLU 79 CO -0.01 0.73 -0.34 0.82 -0.73 0.00 0.00 179.01 179.48 1whd h ILE 80 N 0.43 0.00 -0.79 2.32 2.04 -1.12 -1.93 117.51 118.46 1whd h ILE 80 Ca 0.10 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.19 1whd h ILE 80 Cb 0.45 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1whd h ILE 80 CO 0.02 0.00 0.85 0.08 0.00 0.00 0.00 178.15 179.09 1whd h ARG 81 N -0.80 0.00 -0.94 2.37 0.11 -1.38 -2.13 114.38 111.60 1whd h ARG 81 Ca -0.07 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.12 1whd h ARG 81 Cb 0.65 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.60 1whd h ARG 81 CO 0.05 0.00 -0.48 0.45 0.10 0.00 0.00 179.97 180.09 1whd n SER 82 N -3.53 -0.85 -4.40 0.08 2.88 -0.72 -3.56 113.62 103.51 1whd n SER 82 Ca 0.17 1.67 -0.44 0.00 -1.33 0.00 0.00 58.87 58.93 1whd n SER 82 Cb 1.11 -0.28 -0.08 0.00 -0.75 0.00 0.00 64.21 64.21 1whd n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whd n PRO 84 N 5.27 0.16 0.00 0.00 -0.04 -1.23 -3.91 135.00 135.26 1whd n PRO 84 Ca -0.12 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1whd n PRO 84 Cb 0.44 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1whd n PRO 84 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1whd n SER 85 N -2.13 0.00 -3.87 3.54 7.64 -1.26 -4.48 113.62 113.06 1whd n SER 85 Ca 0.02 0.24 -0.10 0.00 1.01 0.00 0.00 58.87 60.04 1whd n SER 85 Cb 0.22 -0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1whd s GLU 86 N -0.75 0.60 0.02 1.43 -6.30 -1.25 -0.49 118.70 111.95 1whd s GLU 86 Ca 0.00 -0.59 -0.01 0.00 -2.50 0.00 0.00 54.97 51.87 1whd s GLU 86 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 34.13 34.36 1whd s GLU 86 CO 0.00 -0.16 -0.01 0.96 0.02 0.00 0.00 175.26 176.07 1whd s ILE 87 N -2.21 0.09 -0.19 -3.70 -5.25 -1.08 -4.72 121.20 104.14 1whd s ILE 87 Ca -0.08 -0.78 -0.08 0.00 -0.99 0.00 0.00 60.65 58.72 1whd s ILE 87 Cb -0.03 -0.25 -0.04 0.00 2.95 0.00 0.00 42.46 45.08 1whd s ILE 87 CO -0.02 -0.43 0.08 -0.63 -1.79 0.00 0.00 174.94 172.15 1whd s ILE 88 N -1.28 4.99 -0.06 8.37 -1.09 -1.26 -1.68 121.20 129.18 1whd s ILE 88 Ca -0.14 0.04 -0.00 0.00 -2.23 0.00 0.00 60.65 58.32 1whd s ILE 88 Cb -0.09 -3.26 0.03 0.00 -1.58 0.00 0.00 42.46 37.56 1whd s ILE 88 CO -0.01 0.46 -0.02 -1.48 -1.23 0.00 0.00 174.94 172.66 1whd s LEU 89 N 0.36 0.94 -0.05 2.97 2.34 -0.75 -0.10 118.68 124.37 1whd s LEU 89 Ca 0.05 -0.12 -0.08 0.00 0.06 0.00 0.00 54.13 54.04 1whd s LEU 89 Cb -0.12 -0.47 -0.05 0.00 -0.56 0.00 0.00 46.19 45.00 1whd s LEU 89 CO -0.01 -0.13 0.23 -0.22 -1.06 0.00 0.00 176.35 175.16 1whd s LEU 90 N 1.52 4.40 0.15 1.48 2.96 -0.46 -2.54 118.68 126.19 1whd s LEU 90 Ca -0.02 0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 1whd s LEU 90 Cb -0.13 -2.38 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 1whd s LEU 90 CO -0.03 0.34 0.30 0.68 -1.32 0.00 0.00 176.35 176.32 1whd s VAL 91 N -1.13 0.07 -0.19 1.68 -7.23 -1.14 -2.15 120.40 110.31 1whd s VAL 91 Ca 0.21 -1.25 -0.07 0.00 -1.81 0.00 0.00 61.98 59.05 1whd s VAL 91 Cb -0.13 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1whd s VAL 91 CO 0.10 -0.33 0.07 0.86 -0.31 0.00 0.00 175.10 175.49 1whd s TRP 92 N -3.93 3.22 0.03 2.82 -0.11 -1.15 -2.73 118.94 117.09 1whd s TRP 92 Ca 0.14 0.00 0.04 0.00 1.22 0.00 0.00 56.10 57.50 1whd s TRP 92 Cb 0.03 -2.11 -0.02 0.00 -1.50 0.00 0.00 33.47 29.87 1whd s TRP 92 CO -0.03 0.07 -0.12 0.50 -4.62 0.00 0.00 176.95 172.75 1whd s ARG 93 N 0.59 0.82 -0.34 5.86 3.52 -1.22 -4.15 118.95 124.03 1whd s ARG 93 Ca 0.03 -0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 54.87 1whd s ARG 93 Cb -0.13 -0.78 0.02 0.00 -1.56 0.00 0.00 34.95 32.49 1whd s ARG 93 CO 0.01 0.19 0.16 0.08 -0.81 0.00 0.00 175.30 174.93 1whd s VAL 94 N -0.81 4.35 -0.59 7.11 1.01 -1.26 -1.93 120.40 128.28 1whd s VAL 94 Ca 0.00 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 1whd s VAL 94 Cb -0.07 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1whd s VAL 94 CO 0.01 -0.11 1.47 -0.55 0.00 0.00 0.00 175.10 175.92 1whd s SER 95 N 1.53 6.00 0.00 3.32 0.15 -1.26 -4.70 113.70 118.74 1whd s SER 95 Ca 0.02 0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1whd s SER 95 Cb -0.18 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1whd s SER 95 CO 0.05 -1.83 0.00 0.61 1.20 0.00 0.00 173.24 173.27 1whd n GLY 96 N 5.35 0.77 0.00 9.45 0.00 -1.26 -4.85 105.19 114.65 1whd n GLY 96 Ca 0.12 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.64 1whd n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whd n PRO 97 N 0.00 0.49 -1.05 1.61 -0.04 -1.26 -4.84 135.00 129.91 1whd n PRO 97 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1whd n PRO 97 Cb 0.00 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 1whd n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whd n SER 98 N -0.86 0.26 -4.34 3.54 2.88 -1.26 -4.86 113.62 108.98 1whd n SER 98 Ca 0.09 0.19 -0.29 0.00 -1.33 0.00 0.00 58.87 57.53 1whd n SER 98 Cb 0.04 -0.66 0.16 0.00 -0.75 0.00 0.00 64.21 63.00 1whd n SER 98 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whd s SER 99 N 6.12 3.55 0.00 -3.46 1.04 -1.26 -5.16 113.70 114.53 1whd s SER 99 Ca 0.96 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1whd s SER 99 Cb -0.94 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1whd s SER 99 CO 0.37 -2.45 0.00 0.61 0.98 0.00 0.00 173.24 172.75