#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 -0.41 0.44 1.61 0.15 -1.26 -5.16 113.70 109.07 1whd s SER 2 Ca 0.00 0.74 -0.05 0.00 0.70 0.00 0.00 55.95 57.34 1whd s SER 2 Cb 0.00 0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1whd s SER 2 CO 0.00 -0.17 0.73 -0.44 1.20 0.00 0.00 173.24 174.56 1whd s SER 3 N 1.07 6.30 0.31 5.45 0.01 -1.26 -5.11 113.70 120.47 1whd s SER 3 Ca -0.07 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.06 1whd s SER 3 Cb -0.08 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 1whd s SER 3 CO -0.08 -0.49 0.09 0.61 0.41 0.00 0.00 173.24 173.78 1whd n GLY 4 N -2.02 3.50 3.57 3.44 0.00 -1.26 -4.86 105.19 107.56 1whd n GLY 4 Ca -0.00 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 1whd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whd n SER 5 N -1.62 -5.08 -3.75 1.61 2.88 -1.26 -5.00 113.62 101.41 1whd n SER 5 Ca -0.06 -0.58 -0.12 0.00 -1.33 0.00 0.00 58.87 56.78 1whd n SER 5 Cb 0.45 -4.99 -0.12 0.00 -0.75 0.00 0.00 64.21 58.80 1whd n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1whd s SER 6 N -3.62 -0.32 0.17 -3.46 1.04 -1.26 -5.06 113.70 101.20 1whd s SER 6 Ca 0.43 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1whd s SER 6 Cb -0.19 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1whd s SER 6 CO 0.74 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1whd n GLY 7 N 3.54 -1.22 4.31 7.32 0.00 -1.26 -5.03 105.19 112.85 1whd n GLY 7 Ca -0.18 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.91 -2.32 0.00 1.61 2.13 -1.26 -4.82 120.64 113.07 1whd n GLU 8 Ca 0.00 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1whd n GLU 8 Cb 0.00 -4.88 0.00 0.00 0.27 0.00 0.00 31.44 26.83 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1whd n GLY 9 N -1.39 0.62 3.03 8.31 0.00 -1.26 -5.18 105.19 109.32 1whd n GLY 9 Ca 0.05 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.56 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 0.50 1.15 1.61 1.47 -1.26 -5.17 116.67 114.97 1whd s ASP 10 Ca 0.00 -0.60 -0.12 0.00 1.18 0.00 0.00 52.55 53.00 1whd s ASP 10 Cb 0.00 0.09 0.18 0.00 -0.34 0.00 0.00 42.92 42.85 1whd s ASP 10 CO 0.00 -0.32 0.65 -0.81 0.68 0.00 0.00 175.17 175.37 1whd n PRO 11 N 1.28 -2.29 -3.95 2.11 -0.04 -1.26 -5.03 135.00 125.83 1whd n PRO 11 Ca -0.22 -1.04 -0.32 0.00 -0.04 0.00 0.00 63.50 61.89 1whd n PRO 11 Cb 0.56 -0.97 -0.14 0.00 -0.04 0.00 0.00 33.50 32.91 1whd n PRO 11 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1whd s GLU 12 N -4.47 1.79 -0.35 0.54 2.02 -1.26 -4.95 118.70 112.01 1whd s GLU 12 Ca 0.42 -2.19 -0.01 0.00 0.02 0.00 0.00 54.97 53.22 1whd s GLU 12 Cb -0.04 -3.32 0.12 0.00 0.10 0.00 0.00 34.13 30.98 1whd s GLU 12 CO 0.32 -1.03 0.16 1.21 0.02 0.00 0.00 175.26 175.94 1whd s ASN 13 N 0.55 3.62 1.28 -0.19 3.04 -1.26 -5.06 114.94 116.92 1whd s ASN 13 Ca 0.13 -1.93 -0.21 0.00 0.04 0.00 0.00 52.86 50.90 1whd s ASN 13 Cb -0.22 -0.71 0.32 0.00 -1.54 0.00 0.00 41.25 39.10 1whd s ASN 13 CO -0.04 -0.36 1.06 -0.83 -3.04 0.00 0.00 177.10 173.88 1whd s GLY 14 N 1.29 1.54 0.05 1.21 0.00 -1.26 -4.70 107.32 105.45 1whd s GLY 14 Ca 0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 1whd s GLY 14 CO -0.16 -0.01 -0.03 1.85 0.00 0.00 0.00 173.10 174.75 1whd s GLU 15 N -5.34 0.56 -0.25 2.90 2.12 -0.44 -4.93 118.70 113.32 1whd s GLU 15 Ca 0.71 -1.12 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1whd s GLU 15 Cb -0.10 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.49 1whd s GLU 15 CO 0.56 -0.10 1.05 0.15 -0.54 0.00 0.00 175.26 176.38 1whd s LYS 16 N -3.52 4.22 0.05 4.30 1.02 -1.26 -3.24 119.74 121.31 1whd s LYS 16 Ca 0.03 1.30 0.06 0.00 0.02 0.00 0.00 55.97 57.39 1whd s LYS 16 Cb 0.05 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 1whd s LYS 16 CO -0.08 -0.68 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.98 1whd s LEU 17 N 3.29 2.18 0.07 3.17 1.43 -1.11 -5.03 118.68 122.67 1whd s LEU 17 Ca 0.44 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1whd s LEU 17 Cb -0.14 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1whd s LEU 17 CO 0.08 0.09 0.27 -1.58 0.23 0.00 0.00 176.35 175.43 1whd s GLN 18 N -1.23 3.52 -0.27 1.70 0.74 -1.26 -2.35 119.66 120.51 1whd s GLN 18 Ca 0.04 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.18 1whd s GLN 18 Cb -0.08 -2.99 0.08 0.00 1.10 0.00 0.00 33.01 31.12 1whd s GLN 18 CO 0.02 0.58 0.06 0.42 -0.55 0.00 0.00 175.29 175.82 1whd s ILE 19 N -1.50 0.88 -0.29 -2.34 -1.09 -0.18 -5.00 121.20 111.68 1whd s ILE 19 Ca 0.35 -1.17 -0.21 0.00 -2.23 0.00 0.00 60.65 57.39 1whd s ILE 19 Cb -0.13 -1.53 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 1whd s ILE 19 CO 0.24 -0.48 0.69 -0.89 -1.23 0.00 0.00 174.94 173.27 1whd s THR 20 N 1.64 4.90 0.08 2.92 2.01 -1.26 -3.33 115.64 122.61 1whd s THR 20 Ca 0.05 1.06 0.03 0.00 0.31 0.00 0.00 61.69 63.14 1whd s THR 20 Cb -0.17 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1whd s THR 20 CO -0.18 -0.13 0.09 -0.63 -0.69 0.00 0.00 174.62 173.08 1whd s ILE 21 N 2.70 4.57 -0.16 1.82 1.01 -1.13 -4.87 121.20 125.13 1whd s ILE 21 Ca 0.28 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1whd s ILE 21 Cb -0.15 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.12 1whd s ILE 21 CO 0.11 0.11 -0.18 -0.13 0.00 0.00 0.00 174.94 174.86 1whd s ARG 22 N -2.44 3.11 -0.48 2.79 0.52 -1.26 -3.20 118.95 117.99 1whd s ARG 22 Ca 0.30 -0.79 -0.35 0.00 -0.52 0.00 0.00 55.73 54.36 1whd s ARG 22 Cb -0.12 -2.59 -0.16 0.00 0.52 0.00 0.00 34.95 32.59 1whd s ARG 22 CO 0.22 -0.08 1.86 -2.13 0.02 0.00 0.00 175.30 175.19 1whd n ARG 23 N 4.31 0.00 -0.08 3.54 0.63 -0.86 -4.81 116.66 119.39 1whd n ARG 23 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 1whd n ARG 23 Cb 0.51 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 32.16 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 6.16 -0.71 0.35 5.14 0.00 -0.12 -4.78 105.19 111.23 1whd n GLY 24 Ca 0.47 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 0.38 -0.26 1.61 2.10 -2.03 -2.10 116.57 116.27 1whd h LYS 25 Ca 0.00 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.42 1whd h LYS 25 Cb 0.00 -0.09 -0.19 0.00 -0.90 0.00 0.00 32.23 31.05 1whd h LYS 25 CO 0.00 0.25 -0.68 -3.47 -2.00 0.00 0.00 179.45 173.55 1whd n ASP 26 N -4.47 2.68 0.00 7.07 2.03 -1.26 -5.10 116.55 117.50 1whd n ASP 26 Ca 0.10 -3.61 0.00 0.00 0.52 0.00 0.00 54.79 51.80 1whd n ASP 26 Cb 0.37 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1whd n GLY 27 N -0.83 -0.13 3.56 0.27 0.00 -0.79 -4.59 105.19 102.68 1whd n GLY 27 Ca 0.25 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1whd n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1whd s PHE 28 N 0.00 2.02 0.53 1.61 0.08 -1.26 -0.95 117.98 120.00 1whd s PHE 28 Ca 0.00 0.21 0.46 0.00 0.12 0.00 0.00 56.93 57.72 1whd s PHE 28 Cb 0.00 -4.21 1.57 0.00 -0.57 0.00 0.00 43.02 39.81 1whd s PHE 28 CO 0.00 -1.74 1.44 0.41 -0.10 0.00 0.00 175.22 175.24 1whd n GLY 29 N 6.71 -0.91 3.87 4.36 0.00 -1.26 -4.28 105.19 113.67 1whd n GLY 29 Ca 0.39 0.63 -0.32 0.00 0.00 0.00 0.00 46.02 46.72 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 -4.70 3.45 -0.00 1.61 -0.71 -1.26 -3.77 117.98 112.60 1whd s PHE 30 Ca -0.04 0.87 0.05 0.00 -1.04 0.00 0.00 56.93 56.77 1whd s PHE 30 Cb 0.24 -2.25 -0.01 0.00 -1.21 0.00 0.00 43.02 39.78 1whd s PHE 30 CO 0.81 0.30 -0.17 0.99 -1.34 0.00 0.00 175.22 175.81 1whd s THR 31 N -1.77 1.32 -0.03 -4.49 2.01 -0.51 -5.02 115.64 107.15 1whd s THR 31 Ca 0.46 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 1whd s THR 31 Cb -0.12 -1.11 0.03 0.00 0.01 0.00 0.00 72.50 71.31 1whd s THR 31 CO 0.21 0.31 0.01 0.27 -0.69 0.00 0.00 174.62 174.73 1whd s ILE 32 N -0.47 0.16 -0.20 1.82 -5.25 -1.26 -0.81 121.20 115.18 1whd s ILE 32 Ca 0.06 0.13 -0.08 0.00 -0.99 0.00 0.00 60.65 59.77 1whd s ILE 32 Cb -0.07 -0.28 0.09 0.00 2.95 0.00 0.00 42.46 45.15 1whd s ILE 32 CO -0.00 0.16 0.44 0.00 -1.79 0.00 0.00 174.94 173.75 1whd s ASP 35 N -1.44 7.33 -0.25 0.00 1.01 -1.26 -1.73 116.67 120.33 1whd s ASP 35 Ca 0.07 1.61 -0.30 0.00 0.71 0.00 0.00 52.55 54.64 1whd s ASP 35 Cb -0.01 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.24 1whd s ASP 35 CO -0.05 -0.21 0.98 -1.54 0.21 0.00 0.00 175.17 174.57 1whd n SER 36 N 3.70 0.60 -4.77 0.27 3.41 -1.11 -4.04 113.62 111.69 1whd n SER 36 Ca 0.04 0.79 -0.35 0.00 -0.26 0.00 0.00 58.87 59.09 1whd n SER 36 Cb 0.51 -0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.50 3.43 0.44 4.33 0.04 -1.25 -4.95 135.00 138.54 1whd s PRO 37 Ca 0.68 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 1whd s PRO 37 Cb -0.96 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 1whd s PRO 37 CO 0.51 -0.79 0.90 0.08 0.04 0.00 0.00 177.00 177.73 1whd s VAL 38 N -1.73 4.54 0.21 -0.36 1.01 -1.25 -4.87 120.40 117.95 1whd s VAL 38 Ca 0.71 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.86 1whd s VAL 38 Cb -0.25 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1whd s VAL 38 CO 0.28 -0.45 0.17 -0.60 0.00 0.00 0.00 175.10 174.50 1whd s ARG 39 N -3.54 1.26 0.27 2.72 3.52 -1.26 -2.44 118.95 119.48 1whd s ARG 39 Ca 0.58 -1.61 -0.24 0.00 -0.13 0.00 0.00 55.73 54.33 1whd s ARG 39 Cb -0.10 0.29 -0.09 0.00 -1.56 0.00 0.00 34.95 33.49 1whd s ARG 39 CO 0.22 -0.43 0.85 0.08 -0.81 0.00 0.00 175.30 175.22 1whd s VAL 40 N -4.11 4.35 -0.22 7.11 1.01 -1.10 -2.77 120.40 124.68 1whd s VAL 40 Ca 0.37 1.62 -0.17 0.00 0.00 0.00 0.00 61.98 63.80 1whd s VAL 40 Cb 0.06 -3.97 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 1whd s VAL 40 CO 0.13 0.20 -0.07 1.67 0.00 0.00 0.00 175.10 177.02 1whd n GLN 41 N 0.71 0.56 -3.60 2.72 -0.06 0.01 -4.29 117.38 113.43 1whd n GLN 41 Ca -0.00 0.44 -0.07 0.00 -2.00 0.00 0.00 57.00 55.36 1whd n GLN 41 Cb 0.50 -1.63 -0.05 0.00 -4.06 0.00 0.00 30.24 25.00 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1whd s ALA 42 N -2.50 -2.01 -0.12 1.69 0.00 -0.84 -4.89 121.76 113.09 1whd s ALA 42 Ca -0.31 1.71 0.02 0.00 0.00 0.00 0.00 51.96 53.39 1whd s ALA 42 Cb 0.08 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 1whd s ALA 42 CO 0.50 -0.28 -0.20 0.08 0.00 0.00 0.00 175.76 175.86 1whd s VAL 43 N -1.01 2.37 0.16 0.00 1.01 -1.26 -1.42 120.40 120.25 1whd s VAL 43 Ca 0.02 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1whd s VAL 43 Cb -0.01 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 1whd s VAL 43 CO -0.02 0.55 1.32 -0.62 0.00 0.00 0.00 175.10 176.32 1whd s ASP 44 N 0.42 6.89 -0.11 3.32 -1.08 -1.25 -4.96 116.67 119.92 1whd s ASP 44 Ca -0.15 2.34 -0.30 0.00 -0.52 0.00 0.00 52.55 53.93 1whd s ASP 44 Cb -0.17 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.66 1whd s ASP 44 CO 0.06 -0.56 1.42 -0.94 0.52 0.00 0.00 175.17 175.67 1whd s SER 45 N 0.65 6.84 -0.23 -0.34 1.04 -1.26 -3.22 113.70 117.17 1whd s SER 45 Ca 0.59 1.93 -0.01 0.00 0.48 0.00 0.00 55.95 58.95 1whd s SER 45 Cb -0.36 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.22 1whd s SER 45 CO 0.35 -0.81 0.20 0.61 0.98 0.00 0.00 173.24 174.56 1whd n GLY 46 N 3.80 0.50 1.44 7.32 0.00 -1.26 -5.07 105.19 111.91 1whd n GLY 46 Ca 0.15 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.90 3.72 0.20 -0.02 0.00 -1.20 -4.96 105.19 102.04 1whd n GLY 47 Ca -0.02 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.80 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 0.05 1.61 0.13 -1.90 -1.48 132.00 130.41 1whd h PRO 48 Ca -0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1whd h PRO 48 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1whd h PRO 48 CO 0.26 0.32 -0.02 0.00 -0.23 0.00 0.00 178.00 178.32 1whd h ALA 49 N 1.68 -0.06 -0.18 -0.56 0.00 -1.90 -3.28 119.26 114.97 1whd h ALA 49 Ca -0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1whd h ALA 49 Cb 0.73 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1whd h ALA 49 CO 0.04 -0.06 0.09 1.49 0.00 0.00 0.00 179.25 180.80 1whd h GLU 50 N -1.00 0.18 -1.20 0.00 4.22 -1.79 -1.96 114.58 113.03 1whd h GLU 50 Ca -0.01 -0.01 0.35 0.00 0.08 0.00 0.00 59.36 59.77 1whd h GLU 50 Cb 0.24 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 1whd h GLU 50 CO 0.01 0.12 0.80 0.07 -2.18 0.00 0.00 179.01 177.83 1whd h ARG 51 N 0.19 0.19 0.04 1.92 0.11 -1.43 0.28 114.38 115.67 1whd h ARG 51 Ca 0.07 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 59.93 1whd h ARG 51 Cb 0.01 -0.04 0.02 0.00 1.11 0.00 0.00 29.97 31.07 1whd h ARG 51 CO -0.05 0.12 -0.83 0.00 0.10 0.00 0.00 179.97 179.32 1whd h ALA 52 N 1.53 0.05 0.00 0.08 0.00 -1.43 -3.48 119.26 116.02 1whd h ALA 52 Ca 0.67 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1whd h ALA 52 Cb 2.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1whd h ALA 52 CO -0.25 0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1whd n GLY 53 N 1.20 0.20 3.69 0.00 0.00 0.98 -5.00 105.19 106.26 1whd n GLY 53 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 4.20 -0.08 0.99 0.20 -1.03 -4.98 118.68 117.99 1whd s LEU 54 Ca 0.00 0.78 0.00 0.00 0.69 0.00 0.00 54.13 55.60 1whd s LEU 54 Cb 0.00 -2.75 -0.03 0.00 -0.43 0.00 0.00 46.19 42.98 1whd s LEU 54 CO 0.00 -0.13 -0.07 -1.58 -0.29 0.00 0.00 176.35 174.29 1whd s GLN 55 N 1.27 2.89 0.85 1.98 0.74 -1.26 -4.50 119.66 121.62 1whd s GLN 55 Ca 0.26 -0.55 -0.11 0.00 0.05 0.00 0.00 55.36 55.01 1whd s GLN 55 Cb -0.15 -2.63 0.10 0.00 1.10 0.00 0.00 33.01 31.42 1whd s GLN 55 CO 0.10 0.59 1.09 -1.14 -0.55 0.00 0.00 175.29 175.39 1whd s GLN 56 N -0.60 1.66 -1.44 1.67 0.74 -1.26 -3.71 119.66 116.72 1whd s GLN 56 Ca 0.09 0.92 -0.03 0.00 0.05 0.00 0.00 55.36 56.40 1whd s GLN 56 Cb -0.12 -1.85 0.00 0.00 1.10 0.00 0.00 33.01 32.15 1whd s GLN 56 CO 0.02 -1.99 0.35 1.28 -0.55 0.00 0.00 175.29 174.40 1whd n LEU 57 N -3.72 -2.31 -4.56 3.68 4.77 -1.26 -4.99 117.00 108.61 1whd n LEU 57 Ca 0.08 -0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.55 1whd n LEU 57 Cb 0.55 -2.67 -0.11 0.00 -2.33 0.00 0.00 43.42 38.86 1whd n LEU 57 CO 0.55 0.07 -0.32 -1.81 -1.33 0.00 0.00 177.39 174.55 1whd s ASP 58 N -2.55 5.09 0.27 -1.43 1.11 -1.24 -4.88 116.67 113.04 1whd s ASP 58 Ca 0.17 -0.04 -0.29 0.00 0.18 0.00 0.00 52.55 52.58 1whd s ASP 58 Cb -0.08 -1.80 -0.09 0.00 1.07 0.00 0.00 42.92 42.02 1whd s ASP 58 CO 0.22 0.20 1.04 -0.89 1.18 0.00 0.00 175.17 176.91 1whd s THR 59 N 0.21 3.70 -0.42 -1.27 2.01 -1.26 -2.69 115.64 115.92 1whd s THR 59 Ca -0.00 1.69 -0.21 0.00 0.31 0.00 0.00 61.69 63.49 1whd s THR 59 Cb -0.13 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1whd s THR 59 CO 0.02 0.38 0.64 -0.69 -0.69 0.00 0.00 174.62 174.28 1whd s VAL 60 N -1.20 4.84 -0.06 3.82 1.01 -1.02 -2.70 120.40 125.09 1whd s VAL 60 Ca 0.44 0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.63 1whd s VAL 60 Cb -0.29 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 31.91 1whd s VAL 60 CO 0.37 -0.53 -0.01 -0.07 0.00 0.00 0.00 175.10 174.86 1whd h LEU 61 N 9.62 0.00 -7.94 3.92 3.38 -1.48 -3.40 115.31 119.42 1whd h LEU 61 Ca -0.26 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.49 1whd h LEU 61 Cb 1.10 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.61 1whd h LEU 61 CO 0.88 0.28 -0.72 0.00 0.09 0.00 0.00 178.44 178.97 1whd s GLN 62 N -1.33 0.28 -0.06 1.13 -2.07 -1.17 -2.48 119.66 113.97 1whd s GLN 62 Ca -0.01 -0.43 0.05 0.00 -1.82 0.00 0.00 55.36 53.16 1whd s GLN 62 Cb 0.00 -0.05 -0.02 0.00 -1.09 0.00 0.00 33.01 31.85 1whd s GLN 62 CO 0.01 -0.00 -0.21 -1.17 -1.32 0.00 0.00 175.29 172.59 1whd s LEU 63 N -0.95 2.30 -1.59 2.60 2.96 0.23 -1.05 118.68 123.18 1whd s LEU 63 Ca -0.09 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 1whd s LEU 63 Cb -0.06 -1.44 0.09 0.00 0.50 0.00 0.00 46.19 45.28 1whd s LEU 63 CO -0.00 0.27 0.61 0.59 -1.32 0.00 0.00 176.35 176.50 1whd n ASN 64 N 2.80 -2.01 -2.13 3.68 3.02 0.77 0.82 115.26 122.20 1whd n ASN 64 Ca -0.17 -1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 53.18 1whd n ASN 64 Cb 0.52 -2.82 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 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 -4.41 -2.03 -4.30 3.52 1.02 -1.26 -5.00 120.64 108.18 1whd n GLU 65 Ca -0.09 0.83 -0.18 0.00 -0.02 0.00 0.00 57.16 57.70 1whd n GLU 65 Cb 0.57 -5.33 -0.13 0.00 -0.02 0.00 0.00 31.44 26.53 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 -5.02 0.79 -0.03 3.49 0.52 0.24 -5.12 118.95 113.82 1whd s ARG 66 Ca 0.06 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1whd s ARG 66 Cb -0.03 -0.75 -0.05 0.00 0.52 0.00 0.00 34.95 34.64 1whd s ARG 66 CO 0.07 0.19 1.47 -1.25 0.02 0.00 0.00 175.30 175.80 1whd s PRO 67 N -0.90 4.24 -0.05 3.54 0.04 -1.26 0.76 135.00 141.37 1whd s PRO 67 Ca 0.00 2.01 0.17 0.00 0.04 0.00 0.00 61.00 63.23 1whd s PRO 67 Cb -0.07 -3.72 0.33 0.00 0.04 0.00 0.00 34.50 31.08 1whd s PRO 67 CO 0.01 -0.68 1.14 1.33 0.04 0.00 0.00 177.00 178.84 1whd n VAL 68 N 5.00 0.58 0.14 -0.36 0.24 -1.03 -4.82 118.33 118.08 1whd n VAL 68 Ca 0.15 -1.34 -0.00 0.00 -2.04 0.00 0.00 64.34 61.11 1whd n VAL 68 Cb 0.43 0.55 0.27 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 0.71 0.09 -0.53 7.34 3.07 -1.74 -2.96 114.58 120.58 1whd h GLU 69 Ca -0.12 -0.05 -0.30 0.00 -0.50 0.00 0.00 59.36 58.40 1whd h GLU 69 Cb 1.55 -0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 29.28 1whd h GLU 69 CO 0.05 0.52 0.03 0.72 -1.40 0.00 0.00 179.01 178.93 1whd n HIS 70 N -4.01 1.68 -4.18 4.33 8.25 -1.26 -3.89 115.22 116.13 1whd n HIS 70 Ca -0.02 -1.81 -0.35 0.00 -0.26 0.00 0.00 57.72 55.28 1whd n HIS 70 Cb 0.47 -0.62 -0.08 0.00 1.12 0.00 0.00 29.99 30.88 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 3.31 0.31 4.41 0.52 -1.12 -4.86 118.94 118.18 1whd s TRP 71 Ca 0.49 0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.91 1whd s TRP 71 Cb 0.43 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.89 1whd s TRP 71 CO 0.01 0.56 0.50 0.15 0.02 0.00 0.00 176.95 178.20 1whd s LYS 72 N -1.08 3.49 0.36 4.98 1.02 -1.26 -2.74 119.74 124.51 1whd s LYS 72 Ca 0.15 -0.38 0.18 0.00 0.02 0.00 0.00 55.97 55.95 1whd s LYS 72 Cb -0.12 -2.72 1.27 0.00 -0.52 0.00 0.00 37.83 35.74 1whd s LYS 72 CO 0.05 0.23 1.57 0.00 -0.92 0.00 0.00 175.35 176.29 1whd h VAL 74 N 0.00 1.35 -0.10 0.00 -1.51 -1.93 0.11 116.25 114.17 1whd h VAL 74 Ca 0.82 -1.85 -0.13 0.00 -1.23 0.00 0.00 66.70 64.31 1whd h VAL 74 Cb 2.12 1.87 0.01 0.00 -2.13 0.00 0.00 31.29 33.15 1whd h VAL 74 CO -0.79 0.56 -0.43 -0.33 -1.23 0.00 0.00 177.57 175.34 1whd h GLU 75 N 0.28 0.47 0.27 5.19 5.08 0.26 -3.22 114.58 122.91 1whd h GLU 75 Ca 0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1whd h GLU 75 Cb 1.07 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1whd h GLU 75 CO 0.09 1.00 -0.13 1.25 -1.00 0.00 0.00 179.01 180.23 1whd h LEU 76 N 0.04 -0.31 -0.78 1.33 5.85 -0.52 -3.27 115.31 117.66 1whd h LEU 76 Ca -0.03 -0.13 0.27 0.00 0.84 0.00 0.00 57.88 58.83 1whd h LEU 76 Cb 1.08 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 42.04 1whd h LEU 76 CO 0.09 0.18 0.20 0.00 -0.34 0.00 0.00 178.44 178.57 1whd n ALA 77 N -2.68 0.59 -0.21 1.25 0.00 0.37 0.23 120.51 120.06 1whd n ALA 77 Ca -0.06 0.82 -0.06 0.00 0.00 0.00 0.00 53.44 54.13 1whd n ALA 77 Cb 0.21 -0.70 0.03 0.00 0.00 0.00 0.00 19.45 19.00 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 0.75 -0.01 0.00 3.86 -1.61 0.85 115.15 118.99 1whd h HIS 78 Ca 0.56 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.78 1whd h HIS 78 Cb 1.33 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 1whd h HIS 78 CO -0.22 0.48 0.00 1.49 0.86 0.00 0.00 177.93 180.55 1whd h GLU 79 N 0.80 0.01 0.61 2.45 4.57 0.29 -0.64 114.58 122.66 1whd h GLU 79 Ca 0.21 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1whd h GLU 79 Cb -0.07 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1whd h GLU 79 CO -0.04 0.29 -0.36 0.82 -1.18 0.00 0.00 179.01 178.54 1whd h ILE 80 N -0.27 0.26 -0.24 2.32 2.04 -1.03 -2.35 117.51 118.23 1whd h ILE 80 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1whd h ILE 80 Cb 0.29 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1whd h ILE 80 CO 0.00 0.00 0.18 0.08 0.00 0.00 0.00 178.15 178.41 1whd h ARG 81 N -0.91 0.01 -0.80 2.37 0.11 -0.89 -2.50 114.38 111.76 1whd h ARG 81 Ca -0.08 -0.00 0.17 0.00 0.10 0.00 0.00 59.98 60.18 1whd h ARG 81 Cb 0.73 -0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.66 1whd h ARG 81 CO 0.09 0.00 -0.11 1.03 0.10 0.00 0.00 179.97 181.08 1whd h SER 82 N 0.01 -0.59 -3.20 0.08 0.87 -0.54 -3.26 113.55 106.92 1whd h SER 82 Ca 0.12 0.23 -0.74 0.00 -1.23 0.00 0.00 61.79 60.16 1whd h SER 82 Cb 0.46 0.44 -0.26 0.00 -0.44 0.00 0.00 62.40 62.60 1whd h SER 82 CO -0.00 -0.24 -0.31 0.00 -0.53 0.00 0.00 176.83 175.75 1whd h PRO 84 N 8.69 0.81 0.00 0.00 0.13 -1.80 -3.36 132.00 136.47 1whd h PRO 84 Ca -0.26 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1whd h PRO 84 Cb 1.09 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1whd h PRO 84 CO 0.95 1.06 0.00 0.43 -0.23 0.00 0.00 178.00 180.21 1whd n SER 85 N -4.04 0.00 -4.02 1.44 7.64 -1.26 -4.43 113.62 108.95 1whd n SER 85 Ca -0.02 0.76 -0.10 0.00 1.01 0.00 0.00 58.87 60.52 1whd n SER 85 Cb 0.54 -0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.04 0.42 -0.02 1.43 2.02 -1.26 -2.03 118.70 117.22 1whd s GLU 86 Ca 0.00 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.28 1whd s GLU 86 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.22 1whd s GLU 86 CO 0.00 -0.02 -0.08 0.96 0.02 0.00 0.00 175.26 176.14 1whd s ILE 87 N -1.74 0.68 -0.20 -1.63 -5.25 -1.19 -4.76 121.20 107.10 1whd s ILE 87 Ca -0.11 -0.31 -0.06 0.00 -0.99 0.00 0.00 60.65 59.18 1whd s ILE 87 Cb -0.08 -0.61 -0.03 0.00 2.95 0.00 0.00 42.46 44.69 1whd s ILE 87 CO -0.02 0.22 0.03 -0.63 -1.79 0.00 0.00 174.94 172.75 1whd s ILE 88 N 0.19 4.23 -0.02 8.37 -1.09 -1.26 -2.82 121.20 128.79 1whd s ILE 88 Ca -0.03 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1whd s ILE 88 Cb -0.08 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1whd s ILE 88 CO 0.00 0.42 -0.06 -1.48 -1.23 0.00 0.00 174.94 172.59 1whd s LEU 89 N 0.95 1.78 -0.19 2.97 2.34 -1.21 -0.17 118.68 125.16 1whd s LEU 89 Ca 0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 54.13 54.07 1whd s LEU 89 Cb -0.14 -0.36 -0.01 0.00 -0.56 0.00 0.00 46.19 45.12 1whd s LEU 89 CO 0.02 0.03 -0.08 -0.22 -1.06 0.00 0.00 176.35 175.05 1whd s LEU 90 N 0.20 2.84 0.38 1.48 2.96 -0.22 -1.01 118.68 125.32 1whd s LEU 90 Ca -0.02 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1whd s LEU 90 Cb -0.07 -1.69 -0.07 0.00 0.50 0.00 0.00 46.19 44.86 1whd s LEU 90 CO -0.00 0.05 0.03 0.68 -1.32 0.00 0.00 176.35 175.79 1whd s VAL 91 N 1.03 1.70 -0.17 1.68 -7.23 -0.99 -1.18 120.40 115.24 1whd s VAL 91 Ca -0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 1whd s VAL 91 Cb -0.15 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 1whd s VAL 91 CO -0.01 0.00 0.05 0.86 -0.31 0.00 0.00 175.10 175.69 1whd s TRP 92 N -2.92 3.23 -0.01 2.82 -0.11 -1.10 -2.75 118.94 118.09 1whd s TRP 92 Ca 0.35 0.05 0.02 0.00 1.22 0.00 0.00 56.10 57.74 1whd s TRP 92 Cb 0.09 -2.04 0.00 0.00 -1.50 0.00 0.00 33.47 30.03 1whd s TRP 92 CO 0.17 0.17 -0.05 0.50 -4.62 0.00 0.00 176.95 173.12 1whd s ARG 93 N 0.23 0.49 -0.22 5.86 3.52 -1.20 -4.37 118.95 123.25 1whd s ARG 93 Ca 0.03 -0.17 -0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1whd s ARG 93 Cb -0.12 -0.49 -0.02 0.00 -1.56 0.00 0.00 34.95 32.76 1whd s ARG 93 CO 0.01 0.08 -0.01 0.08 -0.81 0.00 0.00 175.30 174.65 1whd s VAL 94 N 0.06 3.67 0.08 7.11 1.01 -1.26 -1.33 120.40 129.74 1whd s VAL 94 Ca -0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 1whd s VAL 94 Cb -0.04 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 1whd s VAL 94 CO -0.00 0.41 0.53 -0.55 0.00 0.00 0.00 175.10 175.48 1whd s SER 95 N 1.43 6.95 0.00 3.32 0.15 -1.26 -4.91 113.70 119.38 1whd s SER 95 Ca 0.05 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.85 1whd s SER 95 Cb -0.14 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1whd s SER 95 CO -0.01 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1whd n GLY 96 N 1.49 3.97 3.70 9.45 0.00 -1.26 -4.62 105.19 117.92 1whd n GLY 96 Ca -0.10 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.17 4.30 -0.08 1.61 0.04 -1.26 -4.96 135.00 132.48 1whd s PRO 97 Ca 0.00 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 1whd s PRO 97 Cb 0.00 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1whd s PRO 97 CO 0.00 -0.52 0.23 1.03 0.04 0.00 0.00 177.00 177.78 1whd h SER 98 N 7.44 -0.17 -2.43 6.66 0.87 -2.01 -3.47 113.55 120.45 1whd h SER 98 Ca -0.40 0.01 -0.45 0.00 -1.23 0.00 0.00 61.79 59.72 1whd h SER 98 Cb 1.19 0.04 0.02 0.00 -0.44 0.00 0.00 62.40 63.22 1whd h SER 98 CO 0.89 0.31 -0.17 -0.44 -0.53 0.00 0.00 176.83 176.88 1whd s SER 99 N -5.30 5.83 0.00 6.23 0.01 -1.26 -5.28 113.70 113.93 1whd s SER 99 Ca -0.03 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1whd s SER 99 Cb 0.00 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1whd s SER 99 CO 0.09 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.69