#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 0.07 0.29 1.61 1.04 -1.26 -5.18 113.70 110.27 1whd s SER 2 Ca 0.00 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.56 1whd s SER 2 Cb 0.00 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1whd s SER 2 CO 0.00 -0.79 0.64 -0.55 0.98 0.00 0.00 173.24 173.52 1whd s SER 3 N -2.89 -0.12 0.00 7.02 0.15 -1.26 -5.17 113.70 111.43 1whd s SER 3 Ca 0.09 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1whd s SER 3 Cb 0.04 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1whd s SER 3 CO -0.07 -1.33 0.00 0.61 1.20 0.00 0.00 173.24 173.65 1whd n GLY 4 N -0.45 2.59 2.79 9.45 0.00 -1.26 -5.16 105.19 113.15 1whd n GLY 4 Ca -0.04 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1whd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whd s SER 5 N 0.00 1.36 -0.13 1.61 0.15 -1.26 -5.13 113.70 110.31 1whd s SER 5 Ca 0.00 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.49 1whd s SER 5 Cb 0.00 -0.40 0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1whd s SER 5 CO 0.00 -0.17 0.31 -0.44 1.20 0.00 0.00 173.24 174.14 1whd s SER 6 N 1.75 -0.35 -0.36 5.45 0.01 -1.26 -5.12 113.70 113.83 1whd s SER 6 Ca 0.01 0.66 -0.01 0.00 1.31 0.00 0.00 55.95 57.92 1whd s SER 6 Cb -0.13 0.58 0.19 0.00 0.21 0.00 0.00 66.02 66.87 1whd s SER 6 CO -0.04 -0.15 0.83 -0.83 0.41 0.00 0.00 173.24 173.45 1whd s GLY 7 N 0.91 -1.35 -0.20 3.44 0.00 -1.26 -5.14 107.32 103.73 1whd s GLY 7 Ca -0.06 0.88 -0.17 0.00 0.00 0.00 0.00 44.72 45.37 1whd s GLY 7 CO -0.06 3.96 0.45 1.85 0.00 0.00 0.00 173.10 179.30 1whd s GLU 8 N 2.08 4.19 0.00 2.90 2.12 -1.26 -5.02 118.70 123.71 1whd s GLU 8 Ca 0.16 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.79 1whd s GLU 8 Cb -0.02 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1whd s GLU 8 CO -0.13 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1whd n GLY 9 N 3.88 0.80 2.94 -1.50 0.00 -1.26 -5.17 105.19 104.88 1whd n GLY 9 Ca -0.07 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1whd n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1whd s ASP 10 N 0.00 0.34 1.12 1.61 1.47 -1.26 -5.16 116.67 114.79 1whd s ASP 10 Ca 0.00 -0.19 -0.16 0.00 1.18 0.00 0.00 52.55 53.38 1whd s ASP 10 Cb 0.00 0.00 0.25 0.00 -0.34 0.00 0.00 42.92 42.83 1whd s ASP 10 CO 0.00 -0.06 1.10 -2.16 0.68 0.00 0.00 175.17 174.73 1whd s PRO 11 N -0.51 -0.59 -0.66 2.11 0.04 -1.26 -4.99 135.00 129.14 1whd s PRO 11 Ca -0.04 0.16 -0.16 0.00 0.04 0.00 0.00 61.00 61.01 1whd s PRO 11 Cb -0.04 -1.65 0.16 0.00 0.04 0.00 0.00 34.50 33.01 1whd s PRO 11 CO -0.00 -3.34 0.65 -1.21 0.04 0.00 0.00 177.00 173.14 1whd s GLU 12 N -5.22 3.23 -1.31 4.56 0.41 -1.26 -4.48 118.70 114.64 1whd s GLU 12 Ca 0.69 -1.90 0.00 0.00 -0.41 0.00 0.00 54.97 53.35 1whd s GLU 12 Cb -0.13 -4.37 0.00 0.00 -1.78 0.00 0.00 34.13 27.85 1whd s GLU 12 CO 0.57 -1.37 0.00 -1.71 -0.49 0.00 0.00 175.26 172.25 1whd n ASN 13 N 5.07 -3.90 0.00 -0.19 5.15 -1.26 -4.68 115.26 115.45 1whd n ASN 13 Ca -0.02 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1whd n ASN 13 Cb 0.43 -3.45 0.00 0.00 -0.53 0.00 0.00 39.78 36.23 1whd n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1whd n GLY 14 N -0.54 2.91 3.15 8.20 0.00 -1.26 -4.50 105.19 113.15 1whd n GLY 14 Ca -0.15 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 1whd n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1whd s GLU 15 N -1.97 0.76 -0.23 1.61 2.12 -0.11 -4.77 118.70 116.12 1whd s GLU 15 Ca 0.00 -1.08 -0.29 0.00 0.36 0.00 0.00 54.97 53.96 1whd s GLU 15 Cb 0.00 -0.42 0.01 0.00 0.26 0.00 0.00 34.13 33.97 1whd s GLU 15 CO 0.00 0.06 1.02 0.15 -0.54 0.00 0.00 175.26 175.95 1whd s LYS 16 N -2.64 4.26 -0.04 4.30 1.02 -1.26 -2.94 119.74 122.44 1whd s LYS 16 Ca 0.02 1.32 0.03 0.00 0.02 0.00 0.00 55.97 57.36 1whd s LYS 16 Cb -0.03 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1whd s LYS 16 CO -0.01 -0.61 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.18 1whd s LEU 17 N 3.13 1.82 0.05 3.17 1.43 -1.07 -5.04 118.68 122.16 1whd s LEU 17 Ca 0.43 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1whd s LEU 17 Cb -0.15 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 1whd s LEU 17 CO 0.06 0.10 0.14 -1.58 0.23 0.00 0.00 176.35 175.30 1whd s GLN 18 N 0.17 3.19 -0.03 1.70 -0.44 -1.26 -1.89 119.66 121.10 1whd s GLN 18 Ca -0.04 -0.51 0.03 0.00 -2.50 0.00 0.00 55.36 52.33 1whd s GLN 18 Cb -0.10 -2.91 0.00 0.00 -1.64 0.00 0.00 33.01 28.36 1whd s GLN 18 CO 0.01 0.61 -0.12 0.42 0.50 0.00 0.00 175.29 176.71 1whd s ILE 19 N -1.39 1.03 -0.26 -2.34 -1.09 -0.72 -4.99 121.20 111.43 1whd s ILE 19 Ca 0.30 -0.49 -0.11 0.00 -2.23 0.00 0.00 60.65 58.13 1whd s ILE 19 Cb -0.13 -0.90 -0.05 0.00 -1.58 0.00 0.00 42.46 39.80 1whd s ILE 19 CO 0.22 0.31 0.17 -0.89 -1.23 0.00 0.00 174.94 173.52 1whd s THR 20 N 0.18 5.27 -0.16 2.92 2.01 -1.26 -2.45 115.64 122.15 1whd s THR 20 Ca -0.04 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1whd s THR 20 Cb -0.10 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 68.93 1whd s THR 20 CO 0.01 0.30 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.46 1whd s ILE 21 N 1.39 2.63 0.06 1.82 1.01 -0.65 -4.82 121.20 122.63 1whd s ILE 21 Ca 0.07 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1whd s ILE 21 Cb -0.15 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1whd s ILE 21 CO 0.07 0.51 -0.12 0.00 0.00 0.00 0.00 174.94 175.40 1whd s ARG 22 N 0.92 2.19 -0.47 2.79 3.03 -1.26 -1.29 118.95 124.85 1whd s ARG 22 Ca -0.03 -0.95 -0.26 0.00 2.03 0.00 0.00 55.73 56.52 1whd s ARG 22 Cb -0.15 -2.30 -0.06 0.00 -1.03 0.00 0.00 34.95 31.40 1whd s ARG 22 CO -0.02 0.54 2.36 0.50 -1.13 0.00 0.00 175.30 177.55 1whd s ARG 23 N -1.75 2.22 0.00 3.89 3.52 -0.89 -4.70 118.95 121.24 1whd s ARG 23 Ca 0.18 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 1whd s ARG 23 Cb -0.11 -4.55 0.00 0.00 -1.56 0.00 0.00 34.95 28.73 1whd s ARG 23 CO 0.09 -3.14 0.00 0.41 -0.81 0.00 0.00 175.30 171.85 1whd n GLY 24 N 5.96 -1.86 0.13 8.12 0.00 -1.21 -4.87 105.19 111.45 1whd n GLY 24 Ca 0.35 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1whd n GLY 24 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1whd h LYS 25 N 0.00 0.44 -2.00 1.61 2.10 -1.94 -3.45 116.57 113.33 1whd h LYS 25 Ca 0.00 -0.72 -0.13 0.00 -2.00 0.00 0.00 60.65 57.79 1whd h LYS 25 Cb 0.00 0.27 -0.29 0.00 -0.90 0.00 0.00 32.23 31.31 1whd h LYS 25 CO 0.00 1.34 -0.45 0.34 -2.00 0.00 0.00 179.45 178.68 1whd s ASP 26 N -7.39 0.08 0.22 7.07 -1.08 -1.26 -5.13 116.67 109.18 1whd s ASP 26 Ca -0.07 0.41 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 1whd s ASP 26 Cb 0.05 1.20 0.00 0.00 -1.46 0.00 0.00 42.92 42.71 1whd s ASP 26 CO 0.92 -0.28 0.00 0.61 0.52 0.00 0.00 175.17 176.94 1whd n GLY 27 N 5.37 -1.87 0.31 2.66 0.00 -1.26 -4.62 105.19 105.79 1whd n GLY 27 Ca -0.05 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.79 -0.68 0.00 1.61 0.04 -1.96 -3.21 116.94 111.94 1whd h PHE 28 Ca -0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1whd h PHE 28 Cb 0.78 0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1whd h PHE 28 CO -1.38 -0.43 0.00 0.41 -0.60 0.00 0.00 178.31 176.32 1whd n GLY 29 N -0.23 3.78 3.90 -1.45 0.00 -1.26 -4.18 105.19 105.75 1whd n GLY 29 Ca -0.09 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 3.47 -0.02 1.61 -0.71 -1.26 -3.38 117.98 117.68 1whd s PHE 30 Ca 0.00 0.74 0.06 0.00 -1.04 0.00 0.00 56.93 56.68 1whd s PHE 30 Cb 0.00 -2.18 -0.01 0.00 -1.21 0.00 0.00 43.02 39.62 1whd s PHE 30 CO 0.00 0.14 -0.19 0.99 -1.34 0.00 0.00 175.22 174.81 1whd s THR 31 N -2.10 1.54 -0.07 -4.49 2.01 -0.83 -4.98 115.64 106.72 1whd s THR 31 Ca 0.46 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 1whd s THR 31 Cb -0.11 -1.29 0.04 0.00 0.01 0.00 0.00 72.50 71.16 1whd s THR 31 CO 0.29 0.44 0.14 0.27 -0.69 0.00 0.00 174.62 175.07 1whd s ILE 32 N -0.38 -0.07 -0.20 1.82 -4.36 -1.26 -2.02 121.20 114.74 1whd s ILE 32 Ca 0.05 0.20 -0.08 0.00 -0.26 0.00 0.00 60.65 60.57 1whd s ILE 32 Cb -0.08 -0.24 0.09 0.00 1.25 0.00 0.00 42.46 43.47 1whd s ILE 32 CO -0.00 0.08 0.43 0.00 0.24 0.00 0.00 174.94 175.69 1whd s ASP 35 N -3.25 4.86 -0.28 0.00 -4.77 -1.26 -1.98 116.67 109.99 1whd s ASP 35 Ca 0.19 -0.08 -0.27 0.00 -3.30 0.00 0.00 52.55 49.10 1whd s ASP 35 Cb 0.04 -1.68 -0.11 0.00 -1.09 0.00 0.00 42.92 40.07 1whd s ASP 35 CO -0.04 0.22 0.93 -1.54 0.70 0.00 0.00 175.17 175.43 1whd n SER 36 N 3.22 0.68 -4.77 2.11 3.41 -0.85 -3.96 113.62 113.45 1whd n SER 36 Ca -0.18 0.66 -0.37 0.00 -0.26 0.00 0.00 58.87 58.73 1whd n SER 36 Cb 0.53 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 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 1.80 3.68 0.49 4.33 0.04 -1.25 -4.93 135.00 139.16 1whd s PRO 37 Ca 0.60 1.74 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 1whd s PRO 37 Cb -0.85 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 1whd s PRO 37 CO 0.46 -0.60 0.98 0.08 0.04 0.00 0.00 177.00 177.96 1whd s VAL 38 N -1.59 4.36 0.30 -0.36 1.01 -1.25 -4.92 120.40 117.96 1whd s VAL 38 Ca 0.65 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.97 1whd s VAL 38 Cb -0.28 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1whd s VAL 38 CO 0.33 -0.50 0.24 -0.13 0.00 0.00 0.00 175.10 175.04 1whd s ARG 39 N -3.67 1.63 -0.06 2.72 0.52 -1.26 -1.68 118.95 117.15 1whd s ARG 39 Ca 0.61 -1.94 -0.05 0.00 -0.52 0.00 0.00 55.73 53.84 1whd s ARG 39 Cb -0.11 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1whd s ARG 39 CO 0.24 -0.59 0.16 0.08 0.02 0.00 0.00 175.30 175.21 1whd s VAL 40 N -3.60 5.44 -0.20 3.52 1.01 0.10 -3.36 120.40 123.31 1whd s VAL 40 Ca 0.40 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 1whd s VAL 40 Cb 0.03 -3.45 -0.13 0.00 0.00 0.00 0.00 36.38 32.83 1whd s VAL 40 CO 0.24 0.47 -0.02 1.67 0.00 0.00 0.00 175.10 177.46 1whd n GLN 41 N 1.45 0.54 -3.55 2.72 7.27 -0.85 -3.28 117.38 121.68 1whd n GLN 41 Ca -0.15 0.49 -0.08 0.00 0.07 0.00 0.00 57.00 57.33 1whd n GLN 41 Cb 0.54 -1.67 -0.02 0.00 2.41 0.00 0.00 30.24 31.50 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1whd s ALA 42 N -2.51 -1.77 -0.12 1.69 0.00 -1.09 -4.62 121.76 113.33 1whd s ALA 42 Ca -0.27 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1whd s ALA 42 Cb 0.06 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1whd s ALA 42 CO 0.48 -0.77 -0.23 0.08 0.00 0.00 0.00 175.76 175.32 1whd s VAL 43 N -3.20 2.04 -0.09 0.00 1.01 -1.26 -1.97 120.40 116.92 1whd s VAL 43 Ca 0.06 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1whd s VAL 43 Cb -0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1whd s VAL 43 CO -0.07 0.55 1.04 -0.62 0.00 0.00 0.00 175.10 176.00 1whd s ASP 44 N 0.56 7.22 0.35 3.32 -1.08 -1.22 -5.01 116.67 120.82 1whd s ASP 44 Ca -0.14 1.58 -0.27 0.00 -0.52 0.00 0.00 52.55 53.21 1whd s ASP 44 Cb -0.17 -2.56 -0.09 0.00 -1.46 0.00 0.00 42.92 38.64 1whd s ASP 44 CO 0.04 -0.46 1.15 -0.55 0.52 0.00 0.00 175.17 175.87 1whd s SER 45 N 1.15 6.81 0.00 -0.34 0.15 -1.26 -3.14 113.70 117.07 1whd s SER 45 Ca 0.50 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1whd s SER 45 Cb -0.19 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1whd s SER 45 CO 0.19 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1whd n GLY 46 N 0.79 2.49 3.35 9.45 0.00 -1.26 -5.01 105.19 115.00 1whd n GLY 46 Ca 0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1whd n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1whd s GLY 47 N -1.03 1.45 0.48 -0.02 0.00 -1.19 -4.75 107.32 102.26 1whd s GLY 47 Ca 0.00 -0.61 0.27 0.00 0.00 0.00 0.00 44.72 44.38 1whd s GLY 47 CO 0.00 0.32 1.91 -0.56 0.00 0.00 0.00 173.10 174.77 1whd h PRO 48 N -3.22 0.00 -0.00 2.90 0.13 -1.84 -2.94 132.00 127.03 1whd h PRO 48 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1whd h PRO 48 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1whd h PRO 48 CO 0.35 0.16 -0.01 0.00 -0.23 0.00 0.00 178.00 178.28 1whd h ALA 49 N 1.84 0.00 0.72 -0.56 0.00 -1.86 -2.69 119.26 116.70 1whd h ALA 49 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1whd h ALA 49 Cb 0.61 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1whd h ALA 49 CO 0.02 -0.19 -0.34 1.49 0.00 0.00 0.00 179.25 180.23 1whd h GLU 50 N -0.58 -0.93 -1.14 0.00 4.81 -1.69 -1.88 114.58 113.16 1whd h GLU 50 Ca -0.00 0.06 0.32 0.00 -0.13 0.00 0.00 59.36 59.61 1whd h GLU 50 Cb 0.61 0.21 -0.09 0.00 0.63 0.00 0.00 28.75 30.11 1whd h GLU 50 CO 0.00 -0.62 0.76 0.07 -0.73 0.00 0.00 179.01 178.50 1whd h ARG 51 N -0.99 0.23 -0.41 1.92 0.11 -1.66 0.33 114.38 113.90 1whd h ARG 51 Ca -0.10 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 59.90 1whd h ARG 51 Cb 0.74 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 1whd h ARG 51 CO 0.16 0.15 -0.02 0.00 0.10 0.00 0.00 179.97 180.36 1whd h ALA 52 N 1.55 0.55 0.00 0.08 0.00 -1.19 -3.47 119.26 116.78 1whd h ALA 52 Ca 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1whd h ALA 52 Cb 1.93 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1whd h ALA 52 CO -0.24 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1whd n GLY 53 N -0.33 0.77 3.79 0.00 0.00 0.12 -4.93 105.19 104.60 1whd n GLY 53 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 4.41 0.34 0.99 0.20 -0.84 -4.97 118.68 118.80 1whd s LEU 54 Ca 0.00 0.96 0.07 0.00 0.69 0.00 0.00 54.13 55.85 1whd s LEU 54 Cb 0.00 -2.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.06 1whd s LEU 54 CO 0.00 0.19 0.36 -1.58 -0.29 0.00 0.00 176.35 175.03 1whd s GLN 55 N -0.40 2.88 0.23 1.98 0.74 -1.26 -4.78 119.66 119.05 1whd s GLN 55 Ca 0.25 -1.18 0.06 0.00 0.05 0.00 0.00 55.36 54.54 1whd s GLN 55 Cb -0.17 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 1whd s GLN 55 CO 0.13 0.08 0.22 -1.14 -0.55 0.00 0.00 175.29 174.03 1whd s GLN 56 N -4.07 3.05 -1.58 1.67 0.74 -1.26 -4.49 119.66 113.72 1whd s GLN 56 Ca 0.43 -0.94 -0.04 0.00 0.05 0.00 0.00 55.36 54.86 1whd s GLN 56 Cb -0.07 -2.66 0.01 0.00 1.10 0.00 0.00 33.01 31.38 1whd s GLN 56 CO 0.28 0.43 0.44 1.28 -0.55 0.00 0.00 175.29 177.17 1whd n LEU 57 N -1.04 -2.39 -4.86 3.68 4.77 -1.21 -4.98 117.00 110.98 1whd n LEU 57 Ca -0.08 -0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 1whd n LEU 57 Cb 0.57 -2.89 -0.04 0.00 -2.33 0.00 0.00 43.42 38.73 1whd n LEU 57 CO 0.44 0.11 -0.11 1.51 -1.33 0.00 0.00 177.39 178.00 1whd s ASP 58 N -2.53 5.54 -0.09 -1.43 -4.77 -1.26 -4.81 116.67 107.32 1whd s ASP 58 Ca 0.23 -0.31 -0.04 0.00 -3.30 0.00 0.00 52.55 49.14 1whd s ASP 58 Cb -0.10 -1.28 -0.04 0.00 -1.09 0.00 0.00 42.92 40.41 1whd s ASP 58 CO 0.28 -0.18 0.07 -0.89 0.70 0.00 0.00 175.17 175.15 1whd s THR 59 N -2.18 4.84 -0.07 2.11 2.01 -1.26 0.02 115.64 121.10 1whd s THR 59 Ca 0.37 -0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.03 1whd s THR 59 Cb -0.07 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1whd s THR 59 CO 0.26 0.59 0.83 -0.69 -0.69 0.00 0.00 174.62 174.92 1whd s VAL 60 N -0.97 4.94 -0.13 3.82 1.01 -0.68 -2.33 120.40 126.07 1whd s VAL 60 Ca 0.15 1.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 1whd s VAL 60 Cb -0.12 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1whd s VAL 60 CO 0.04 0.16 -0.20 0.18 0.00 0.00 0.00 175.10 175.28 1whd n LEU 61 N 4.23 1.49 -3.79 3.92 4.77 0.23 -4.16 117.00 123.70 1whd n LEU 61 Ca 0.03 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1whd n LEU 61 Cb 0.50 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 1whd n LEU 61 CO 0.49 -0.42 -0.05 0.00 -1.33 0.00 0.00 177.39 176.08 1whd s GLN 62 N -2.20 0.49 -0.12 3.23 -2.07 -1.19 -2.15 119.66 115.66 1whd s GLN 62 Ca -0.16 -0.00 0.02 0.00 -1.82 0.00 0.00 55.36 53.39 1whd s GLN 62 Cb 0.02 0.22 0.02 0.00 -1.09 0.00 0.00 33.01 32.18 1whd s GLN 62 CO 0.24 -0.11 -0.15 -1.17 -1.32 0.00 0.00 175.29 172.78 1whd s LEU 63 N -0.74 1.73 -1.31 2.60 0.20 0.35 -0.75 118.68 120.76 1whd s LEU 63 Ca -0.08 -0.45 -0.07 0.00 0.69 0.00 0.00 54.13 54.22 1whd s LEU 63 Cb -0.04 -1.12 0.01 0.00 -0.43 0.00 0.00 46.19 44.60 1whd s LEU 63 CO 0.02 0.01 0.99 0.59 -0.29 0.00 0.00 176.35 177.66 1whd n ASN 64 N 4.29 -6.04 -1.91 3.68 3.02 -0.83 -1.89 115.26 115.57 1whd n ASN 64 Ca -0.19 -0.45 -0.15 0.00 -0.03 0.00 0.00 54.58 53.77 1whd n ASN 64 Cb 0.51 -4.71 0.01 0.00 -0.61 0.00 0.00 39.78 34.98 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 -4.50 -2.38 -4.37 3.52 -0.58 -1.26 -5.01 120.64 106.06 1whd n GLU 65 Ca -0.02 0.66 -0.19 0.00 -0.42 0.00 0.00 57.16 57.19 1whd n GLU 65 Cb 0.57 -4.93 -0.14 0.00 -0.57 0.00 0.00 31.44 26.36 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1whd s ARG 66 N -5.05 0.79 -0.13 3.49 0.52 -0.79 -5.12 118.95 112.66 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 -0.75 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 1whd s ARG 66 CO 0.14 0.20 1.54 -1.25 0.02 0.00 0.00 175.30 175.96 1whd s PRO 67 N -0.48 4.09 -0.07 3.54 0.04 -1.26 -0.50 135.00 140.36 1whd s PRO 67 Ca 0.02 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.08 1whd s PRO 67 Cb -0.05 -3.94 0.15 0.00 0.04 0.00 0.00 34.50 30.70 1whd s PRO 67 CO -0.00 -0.93 1.05 1.33 0.04 0.00 0.00 177.00 178.49 1whd n VAL 68 N 5.70 1.03 0.26 -0.36 0.24 -0.91 -4.76 118.33 119.53 1whd n VAL 68 Ca 0.17 -1.23 0.13 0.00 -2.04 0.00 0.00 64.34 61.37 1whd n VAL 68 Cb 0.44 0.15 0.73 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.22 7.34 4.39 -1.67 -2.57 114.58 121.85 1whd h GLU 69 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1whd h GLU 69 Cb 1.12 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.65 1whd h GLU 69 CO 0.00 0.12 -0.56 0.72 -1.16 0.00 0.00 179.01 178.13 1whd n HIS 70 N -3.66 0.80 -4.04 4.33 8.25 -1.26 -3.80 115.22 115.83 1whd n HIS 70 Ca -0.02 -1.71 -0.25 0.00 -0.26 0.00 0.00 57.72 55.48 1whd n HIS 70 Cb 0.23 -0.29 -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 -3.34 3.25 0.05 4.41 0.52 -0.97 -4.80 118.94 118.07 1whd s TRP 71 Ca 0.42 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.58 1whd s TRP 71 Cb 0.38 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 1whd s TRP 71 CO -0.04 0.51 0.01 0.15 0.02 0.00 0.00 176.95 177.60 1whd s LYS 72 N -3.28 2.69 0.40 4.98 1.02 -1.26 -2.00 119.74 122.29 1whd s LYS 72 Ca 0.32 -0.72 0.35 0.00 0.02 0.00 0.00 55.97 55.94 1whd s LYS 72 Cb -0.10 -2.62 1.28 0.00 -0.52 0.00 0.00 37.83 35.87 1whd s LYS 72 CO 0.25 0.58 1.20 0.00 -0.92 0.00 0.00 175.35 176.46 1whd n VAL 74 N -3.69 0.00 -0.27 0.00 0.31 -1.26 -0.22 118.33 113.20 1whd n VAL 74 Ca 0.33 0.89 0.08 0.00 -0.01 0.00 0.00 64.34 65.63 1whd n VAL 74 Cb 1.45 -1.70 0.22 0.00 -0.91 0.00 0.00 33.84 32.91 1whd n VAL 74 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1whd h GLU 75 N 0.00 0.33 0.24 5.55 4.11 -1.52 -2.20 114.58 121.09 1whd h GLU 75 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1whd h GLU 75 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1whd h GLU 75 CO 0.00 0.22 -0.11 1.25 0.07 0.00 0.00 179.01 180.44 1whd h LEU 76 N 0.34 -0.27 -0.81 3.06 5.85 -1.09 -3.01 115.31 119.38 1whd h LEU 76 Ca 0.46 0.01 0.32 0.00 0.84 0.00 0.00 57.88 59.52 1whd h LEU 76 Cb 0.81 0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.78 1whd h LEU 76 CO -0.50 -0.17 0.46 0.00 -0.34 0.00 0.00 178.44 177.88 1whd n ALA 77 N -2.19 0.82 -0.05 1.25 0.00 0.70 0.21 120.51 121.25 1whd n ALA 77 Ca -0.04 0.74 -0.10 0.00 0.00 0.00 0.00 53.44 54.04 1whd n ALA 77 Cb 0.13 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 0.27 -0.32 0.00 3.86 -1.28 -1.14 115.15 116.55 1whd h HIS 78 Ca 0.64 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.84 1whd h HIS 78 Cb 1.77 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 30.14 1whd h HIS 78 CO -0.01 0.17 0.12 0.93 0.86 0.00 0.00 177.93 180.01 1whd h GLU 79 N 0.29 0.48 0.50 2.45 4.39 0.26 0.71 114.58 123.66 1whd h GLU 79 Ca 0.08 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1whd h GLU 79 Cb -0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1whd h GLU 79 CO -0.02 0.49 -0.42 0.82 -1.16 0.00 0.00 179.01 178.71 1whd h ILE 80 N 0.36 0.00 -0.77 3.13 2.04 -1.17 -2.66 117.51 118.44 1whd h ILE 80 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1whd h ILE 80 Cb 0.19 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.22 1whd h ILE 80 CO -0.01 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.68 1whd h ARG 81 N -0.91 0.87 -0.71 2.37 2.47 -1.23 -2.74 114.38 114.49 1whd h ARG 81 Ca -0.07 -0.05 0.21 0.00 -1.26 0.00 0.00 59.98 58.81 1whd h ARG 81 Cb 0.76 -0.20 -0.13 0.00 -1.65 0.00 0.00 29.97 28.76 1whd h ARG 81 CO -0.01 0.57 0.07 0.45 0.56 0.00 0.00 179.97 181.61 1whd n SER 82 N -4.47 -0.04 -4.26 7.04 2.88 0.24 -2.97 113.62 112.05 1whd n SER 82 Ca 0.11 1.21 -0.43 0.00 -1.33 0.00 0.00 58.87 58.43 1whd n SER 82 Cb 0.16 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.09 1whd n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whd h PRO 84 N 8.62 0.25 0.00 0.00 0.13 -1.79 -3.36 132.00 135.86 1whd h PRO 84 Ca -0.25 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1whd h PRO 84 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1whd h PRO 84 CO 0.93 0.67 0.00 0.43 -0.23 0.00 0.00 178.00 179.79 1whd n SER 85 N -4.64 0.00 -3.94 1.44 7.64 -1.26 -4.27 113.62 108.59 1whd n SER 85 Ca -0.07 0.92 -0.09 0.00 1.01 0.00 0.00 58.87 60.65 1whd n SER 85 Cb 0.33 -0.42 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 1whd n SER 85 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1whd s GLU 86 N -2.69 0.65 -0.06 1.43 2.02 -1.26 -2.10 118.70 116.70 1whd s GLU 86 Ca 0.00 -0.89 -0.06 0.00 0.02 0.00 0.00 54.97 54.04 1whd s GLU 86 Cb 0.00 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.50 1whd s GLU 86 CO 0.00 -0.17 0.16 0.96 0.02 0.00 0.00 175.26 176.23 1whd s ILE 87 N -3.15 0.01 -0.14 -1.63 -5.25 -0.41 -4.74 121.20 105.89 1whd s ILE 87 Ca -0.00 -0.07 -0.00 0.00 -0.99 0.00 0.00 60.65 59.58 1whd s ILE 87 Cb 0.02 -0.26 -0.01 0.00 2.95 0.00 0.00 42.46 45.16 1whd s ILE 87 CO -0.07 -0.04 -0.13 -0.63 -1.79 0.00 0.00 174.94 172.28 1whd s ILE 88 N -0.07 3.00 -0.04 8.37 1.01 -1.26 -1.64 121.20 130.57 1whd s ILE 88 Ca -0.02 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1whd s ILE 88 Cb -0.02 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.21 1whd s ILE 88 CO 0.00 0.52 -0.04 -1.48 0.00 0.00 0.00 174.94 173.94 1whd s LEU 89 N 0.44 1.42 -0.16 2.97 2.34 -1.02 -1.96 118.68 122.71 1whd s LEU 89 Ca -0.10 -0.12 -0.06 0.00 0.06 0.00 0.00 54.13 53.91 1whd s LEU 89 Cb -0.16 -0.41 -0.04 0.00 -0.56 0.00 0.00 46.19 45.02 1whd s LEU 89 CO 0.05 -0.04 0.06 -0.22 -1.06 0.00 0.00 176.35 175.15 1whd s LEU 90 N 0.76 3.87 0.31 1.48 2.96 0.07 -1.76 118.68 126.38 1whd s LEU 90 Ca -0.10 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1whd s LEU 90 Cb -0.13 -1.96 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 1whd s LEU 90 CO 0.00 0.24 0.06 0.68 -1.32 0.00 0.00 176.35 176.01 1whd s VAL 91 N -0.05 1.13 -0.18 1.68 -7.23 -0.79 -0.60 120.40 114.34 1whd s VAL 91 Ca 0.07 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.16 1whd s VAL 91 Cb -0.12 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1whd s VAL 91 CO 0.01 -0.03 0.06 0.86 -0.31 0.00 0.00 175.10 175.69 1whd s TRP 92 N -3.34 3.23 -0.02 2.82 -0.11 -0.98 -2.61 118.94 117.93 1whd s TRP 92 Ca 0.36 0.04 0.05 0.00 1.22 0.00 0.00 56.10 57.77 1whd s TRP 92 Cb 0.08 -2.08 -0.01 0.00 -1.50 0.00 0.00 33.47 29.97 1whd s TRP 92 CO 0.15 0.13 -0.16 0.50 -4.62 0.00 0.00 176.95 172.95 1whd s ARG 93 N 0.40 1.32 -0.06 5.86 3.52 -1.15 -4.40 118.95 124.44 1whd s ARG 93 Ca 0.03 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1whd s ARG 93 Cb -0.13 -1.26 -0.01 0.00 -1.56 0.00 0.00 34.95 32.00 1whd s ARG 93 CO 0.00 0.32 -0.23 0.54 -0.81 0.00 0.00 175.30 175.12 1whd s VAL 94 N -0.30 1.91 -0.13 7.11 0.11 -1.26 -0.93 120.40 126.90 1whd s VAL 94 Ca 0.05 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1whd s VAL 94 Cb -0.07 -1.63 0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1whd s VAL 94 CO -0.00 0.53 -0.03 -0.94 -3.33 0.00 0.00 175.10 171.33 1whd s SER 95 N -0.00 2.35 0.00 3.54 1.04 -1.26 -4.92 113.70 114.45 1whd s SER 95 Ca -0.07 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1whd s SER 95 Cb -0.14 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.26 1whd s SER 95 CO 0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1whd n GLY 96 N 4.99 -0.98 3.56 7.32 0.00 -1.26 -4.92 105.19 113.90 1whd n GLY 96 Ca -0.10 0.43 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 2.56 -0.02 1.61 0.04 -1.26 -4.93 135.00 133.00 1whd s PRO 97 Ca 0.00 -0.18 0.02 0.00 0.04 0.00 0.00 61.00 60.89 1whd s PRO 97 Cb 0.00 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1whd s PRO 97 CO 0.00 -3.30 -0.09 -1.54 0.04 0.00 0.00 177.00 172.11 1whd s SER 98 N 8.05 1.20 0.26 6.66 1.04 -1.26 -5.15 113.70 124.49 1whd s SER 98 Ca 0.70 -0.19 -0.07 0.00 0.48 0.00 0.00 55.95 56.87 1whd s SER 98 Cb -0.07 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1whd s SER 98 CO 0.02 0.07 0.38 -0.94 0.98 0.00 0.00 173.24 173.75 1whd s SER 99 N 0.16 0.20 0.00 7.02 1.04 -1.26 -5.30 113.70 115.56 1whd s SER 99 Ca -0.03 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.22 1whd s SER 99 Cb -0.08 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1whd s SER 99 CO 0.00 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.74