#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 -0.09 -0.13 1.61 0.15 -1.26 -5.11 113.70 108.87 1whd s SER 2 Ca 0.00 -0.18 -0.32 0.00 0.70 0.00 0.00 55.95 56.15 1whd s SER 2 Cb 0.00 0.23 -0.09 0.00 -1.71 0.00 0.00 66.02 64.45 1whd s SER 2 CO 0.00 -0.42 2.04 -0.24 1.20 0.00 0.00 173.24 175.81 1whd n SER 3 N -0.47 3.38 0.00 5.45 2.88 -1.26 -4.65 113.62 118.95 1whd n SER 3 Ca -0.08 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1whd n SER 3 Cb 0.62 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1whd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whd n GLY 4 N 5.10 -0.08 3.22 0.46 0.00 -1.26 -5.15 105.19 107.49 1whd n GLY 4 Ca 0.27 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 1whd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whd s SER 5 N 2.00 -0.28 -0.01 1.61 0.01 -1.26 -5.16 113.70 110.61 1whd s SER 5 Ca 0.00 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 57.84 1whd s SER 5 Cb 0.00 0.99 0.11 0.00 0.21 0.00 0.00 66.02 67.33 1whd s SER 5 CO 0.00 -0.21 1.14 -0.55 0.41 0.00 0.00 173.24 174.03 1whd s SER 6 N 2.05 -0.14 0.00 2.44 0.15 -1.26 -5.15 113.70 111.79 1whd s SER 6 Ca -0.05 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1whd s SER 6 Cb -0.11 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1whd s SER 6 CO -0.12 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.46 1whd n GLY 7 N -0.37 -0.26 2.98 9.45 0.00 -1.26 -5.10 105.19 110.64 1whd n GLY 7 Ca -0.06 0.80 -0.31 0.00 0.00 0.00 0.00 46.02 46.44 1whd n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1whd s GLU 8 N 0.00 2.74 0.00 1.61 2.02 -1.26 -4.97 118.70 118.84 1whd s GLU 8 Ca 0.00 -3.28 0.00 0.00 0.02 0.00 0.00 54.97 51.71 1whd s GLU 8 Cb 0.00 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1whd s GLU 8 CO 0.00 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.42 1whd n GLY 9 N 2.19 3.87 2.44 -1.39 0.00 -1.26 -5.08 105.19 105.94 1whd n GLY 9 Ca 0.19 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1whd n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1whd n ASP 10 N 0.00 2.07 -3.86 1.61 5.75 -1.26 -5.11 116.55 115.75 1whd n ASP 10 Ca 0.00 -3.05 -0.30 0.00 -0.01 0.00 0.00 54.79 51.43 1whd n ASP 10 Cb 0.00 -0.66 0.24 0.00 -1.03 0.00 0.00 41.12 39.66 1whd n ASP 10 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1whd s PRO 11 N -1.61 -1.15 -0.72 0.11 0.04 -1.26 -4.91 135.00 125.50 1whd s PRO 11 Ca 0.35 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 61.08 1whd s PRO 11 Cb 0.11 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 33.05 1whd s PRO 11 CO -0.09 -3.67 1.61 -1.21 0.04 0.00 0.00 177.00 173.68 1whd s GLU 12 N -5.39 2.92 -0.02 4.56 8.01 -1.26 -4.86 118.70 122.65 1whd s GLU 12 Ca 0.71 0.06 -0.13 0.00 0.01 0.00 0.00 54.97 55.62 1whd s GLU 12 Cb -0.10 -4.44 -0.07 0.00 -4.31 0.00 0.00 34.13 25.21 1whd s GLU 12 CO 0.56 -2.52 0.63 -0.97 0.01 0.00 0.00 175.26 172.97 1whd h ASN 13 N 12.31 -0.40 -3.07 -0.19 -0.73 -1.97 -3.46 115.58 118.08 1whd h ASN 13 Ca -0.20 0.01 -0.39 0.00 1.87 0.00 0.00 56.30 57.59 1whd h ASN 13 Cb 1.09 0.10 0.22 0.00 0.27 0.00 0.00 38.32 40.00 1whd h ASN 13 CO 1.26 -0.06 -0.10 -0.83 -0.37 0.00 0.00 177.43 177.33 1whd s GLY 14 N -2.60 1.43 0.04 1.57 0.00 -1.26 -4.73 107.32 101.77 1whd s GLY 14 Ca -0.07 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 1whd s GLY 14 CO 0.21 0.24 -0.03 -1.83 0.00 0.00 0.00 173.10 171.68 1whd s GLU 15 N -5.00 0.50 -0.09 2.90 -1.05 0.04 -4.96 118.70 111.02 1whd s GLU 15 Ca 0.69 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 54.24 1whd s GLU 15 Cb -0.15 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.67 1whd s GLU 15 CO 0.59 -0.08 1.11 0.15 0.95 0.00 0.00 175.26 177.97 1whd s LYS 16 N -2.88 4.37 -0.03 -4.83 -0.14 -1.26 -3.09 119.74 111.87 1whd s LYS 16 Ca -0.02 1.53 0.01 0.00 -1.36 0.00 0.00 55.97 56.12 1whd s LYS 16 Cb 0.00 -3.56 0.02 0.00 -1.68 0.00 0.00 37.83 32.61 1whd s LYS 16 CO -0.06 -0.41 -0.02 -0.51 -0.76 0.00 0.00 175.35 173.59 1whd s LEU 17 N 2.24 1.34 0.03 3.17 1.43 -1.20 -5.04 118.68 120.66 1whd s LEU 17 Ca 0.52 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1whd s LEU 17 Cb -0.21 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 1whd s LEU 17 CO 0.19 -0.06 0.27 -1.58 0.23 0.00 0.00 176.35 175.39 1whd s GLN 18 N 0.82 3.55 -0.06 1.70 0.74 -1.26 -3.13 119.66 122.02 1whd s GLN 18 Ca -0.09 -0.15 0.03 0.00 0.05 0.00 0.00 55.36 55.19 1whd s GLN 18 Cb -0.12 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.95 1whd s GLN 18 CO -0.01 0.62 -0.15 0.42 -0.55 0.00 0.00 175.29 175.62 1whd s ILE 19 N -1.39 1.29 -0.27 -2.34 -1.09 -0.82 -5.03 121.20 111.55 1whd s ILE 19 Ca 0.31 -0.61 -0.09 0.00 -2.23 0.00 0.00 60.65 58.03 1whd s ILE 19 Cb -0.13 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.58 1whd s ILE 19 CO 0.19 0.38 0.12 -0.89 -1.23 0.00 0.00 174.94 173.51 1whd s THR 20 N 0.34 4.61 -0.08 2.92 2.01 -1.26 -2.62 115.64 121.56 1whd s THR 20 Ca -0.10 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1whd s THR 20 Cb -0.14 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1whd s THR 20 CO 0.03 0.26 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.43 1whd s ILE 21 N 1.65 2.87 0.05 1.82 1.01 -0.98 -4.88 121.20 122.75 1whd s ILE 21 Ca 0.06 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1whd s ILE 21 Cb -0.16 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1whd s ILE 21 CO 0.06 0.56 -0.18 0.00 0.00 0.00 0.00 174.94 175.38 1whd s ARG 22 N -0.20 2.03 -0.35 2.79 1.70 -1.26 -1.38 118.95 122.27 1whd s ARG 22 Ca -0.00 -1.01 -0.39 0.00 -0.47 0.00 0.00 55.73 53.86 1whd s ARG 22 Cb -0.13 -2.17 -0.15 0.00 -0.57 0.00 0.00 34.95 31.93 1whd s ARG 22 CO 0.03 0.53 1.97 -2.13 -1.08 0.00 0.00 175.30 174.63 1whd n ARG 23 N 1.48 0.91 0.00 3.89 0.63 -0.49 -4.88 116.66 118.20 1whd n ARG 23 Ca -0.16 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1whd n ARG 23 Cb 0.52 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.31 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 5.62 -0.08 3.23 5.14 0.00 -1.13 -5.02 105.19 112.96 1whd n GLY 24 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.65 0.31 -1.72 1.61 1.02 -1.26 -4.91 119.74 114.13 1whd s LYS 25 Ca 0.00 1.00 -0.17 0.00 0.02 0.00 0.00 55.97 56.82 1whd s LYS 25 Cb 0.00 0.28 0.16 0.00 -0.52 0.00 0.00 37.83 37.75 1whd s LYS 25 CO 0.00 -0.26 0.66 -3.47 -0.92 0.00 0.00 175.35 171.36 1whd n ASP 26 N 5.39 -2.42 0.00 2.83 2.03 -1.26 -4.57 116.55 118.55 1whd n ASP 26 Ca -0.08 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.14 1whd n ASP 26 Cb 0.49 -2.41 0.00 0.00 -0.72 0.00 0.00 41.12 38.48 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 -1.43 0.19 0.70 0.27 0.00 -1.26 -4.98 105.19 98.68 1whd n GLY 27 Ca 0.03 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 6.61 0.00 0.00 1.61 3.72 -1.26 -2.82 117.46 125.32 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 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 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 2.47 3.84 3.88 1.37 0.00 -1.26 -4.17 105.19 111.31 1whd n GLY 29 Ca -0.17 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 3.45 -0.05 1.61 -0.71 -1.26 -4.10 117.98 116.92 1whd s PHE 30 Ca 0.00 0.83 0.06 0.00 -1.04 0.00 0.00 56.93 56.78 1whd s PHE 30 Cb 0.00 -2.22 -0.02 0.00 -1.21 0.00 0.00 43.02 39.57 1whd s PHE 30 CO 0.00 0.32 -0.22 0.99 -1.34 0.00 0.00 175.22 174.97 1whd s THR 31 N -1.74 2.34 -0.06 -4.49 2.01 -0.98 -5.02 115.64 107.70 1whd s THR 31 Ca 0.45 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 1whd s THR 31 Cb -0.12 -1.86 0.04 0.00 0.01 0.00 0.00 72.50 70.57 1whd s THR 31 CO 0.21 0.57 0.13 0.27 -0.69 0.00 0.00 174.62 175.11 1whd s ILE 32 N -0.38 -0.06 -0.20 1.82 -5.25 -1.26 -0.87 121.20 115.00 1whd s ILE 32 Ca 0.03 0.19 -0.07 0.00 -0.99 0.00 0.00 60.65 59.81 1whd s ILE 32 Cb -0.12 -0.21 0.09 0.00 2.95 0.00 0.00 42.46 45.16 1whd s ILE 32 CO 0.02 0.08 0.44 0.00 -1.79 0.00 0.00 174.94 173.68 1whd n ASP 35 N 3.60 3.61 -2.54 0.00 8.00 -1.26 -3.64 116.55 124.32 1whd n ASP 35 Ca -0.14 1.12 -0.35 0.00 0.71 0.00 0.00 54.79 56.13 1whd n ASP 35 Cb 0.56 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.07 1whd n ASP 35 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1whd n SER 36 N 2.77 0.39 -4.77 -2.24 3.41 -1.16 -4.17 113.62 107.84 1whd n SER 36 Ca 0.12 0.64 -0.35 0.00 -0.26 0.00 0.00 58.87 59.02 1whd n SER 36 Cb 0.34 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.97 3.36 0.33 4.33 0.04 -1.25 -4.96 135.00 137.82 1whd s PRO 37 Ca 0.54 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 1whd s PRO 37 Cb -0.77 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.67 1whd s PRO 37 CO 0.39 -0.84 0.90 0.08 0.04 0.00 0.00 177.00 177.57 1whd s VAL 38 N -1.77 4.33 0.26 -0.36 1.01 -1.24 -4.80 120.40 117.82 1whd s VAL 38 Ca 0.73 1.62 0.02 0.00 0.00 0.00 0.00 61.98 64.34 1whd s VAL 38 Cb -0.24 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1whd s VAL 38 CO 0.27 0.03 0.16 -0.60 0.00 0.00 0.00 175.10 174.96 1whd s ARG 39 N -2.35 1.43 0.17 2.72 3.52 -1.26 -1.85 118.95 121.34 1whd s ARG 39 Ca 0.52 -1.79 -0.10 0.00 -0.13 0.00 0.00 55.73 54.23 1whd s ARG 39 Cb -0.16 0.12 -0.07 0.00 -1.56 0.00 0.00 34.95 33.28 1whd s ARG 39 CO 0.21 -0.44 0.49 0.08 -0.81 0.00 0.00 175.30 174.83 1whd s VAL 40 N -3.83 4.98 -0.19 7.11 1.01 -0.64 -2.42 120.40 126.42 1whd s VAL 40 Ca 0.38 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 1whd s VAL 40 Cb 0.06 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1whd s VAL 40 CO 0.17 0.09 -0.24 1.67 0.00 0.00 0.00 175.10 176.78 1whd n GLN 41 N 0.31 0.52 -3.56 2.72 -0.06 -0.05 -4.00 117.38 113.27 1whd n GLN 41 Ca -0.03 0.36 -0.16 0.00 -2.00 0.00 0.00 57.00 55.17 1whd n GLN 41 Cb 0.52 -1.56 -0.06 0.00 -4.06 0.00 0.00 30.24 25.08 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 -2.73 -1.80 -0.14 1.69 0.00 -1.01 -4.72 121.76 113.04 1whd s ALA 42 Ca -0.26 1.54 -0.08 0.00 0.00 0.00 0.00 51.96 53.17 1whd s ALA 42 Cb 0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1whd s ALA 42 CO 0.39 -0.35 0.12 0.08 0.00 0.00 0.00 175.76 176.01 1whd s VAL 43 N -0.75 5.35 0.02 0.00 1.01 -1.26 -2.32 120.40 122.45 1whd s VAL 43 Ca -0.07 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1whd s VAL 43 Cb -0.01 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1whd s VAL 43 CO 0.06 0.56 1.20 -0.62 0.00 0.00 0.00 175.10 176.30 1whd s ASP 44 N -0.52 7.07 -0.37 3.32 -1.08 -1.26 -4.97 116.67 118.85 1whd s ASP 44 Ca 0.12 1.95 -0.29 0.00 -0.52 0.00 0.00 52.55 53.81 1whd s ASP 44 Cb -0.12 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.78 1whd s ASP 44 CO 0.02 -0.50 1.32 -0.94 0.52 0.00 0.00 175.17 175.59 1whd s SER 45 N 1.21 6.53 0.00 -0.34 1.04 -1.26 -3.33 113.70 117.55 1whd s SER 45 Ca 0.58 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1whd s SER 45 Cb -0.28 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1whd s SER 45 CO 0.27 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1whd n GLY 46 N 4.70 0.90 2.58 7.32 0.00 -1.26 -5.09 105.19 114.33 1whd n GLY 46 Ca 0.15 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.39 3.63 0.23 -0.02 0.00 -1.21 -5.00 105.19 102.42 1whd n GLY 47 Ca 0.00 -2.22 0.10 0.00 0.00 0.00 0.00 46.02 43.90 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 0.28 1.61 0.13 -1.90 -2.15 132.00 129.96 1whd h PRO 48 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1whd h PRO 48 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1whd h PRO 48 CO 0.45 0.22 -0.14 0.00 -0.23 0.00 0.00 178.00 178.31 1whd h ALA 49 N 1.78 -0.43 0.99 -0.56 0.00 -1.90 -3.04 119.26 116.09 1whd h ALA 49 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1whd h ALA 49 Cb 0.66 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1whd h ALA 49 CO 0.03 -0.41 -0.48 1.49 0.00 0.00 0.00 179.25 179.89 1whd h GLU 50 N -0.94 -1.28 -1.00 0.00 4.22 -1.77 -1.74 114.58 112.08 1whd h GLU 50 Ca -0.04 0.09 0.38 0.00 0.08 0.00 0.00 59.36 59.87 1whd h GLU 50 Cb 0.29 0.29 -0.18 0.00 0.50 0.00 0.00 28.75 29.65 1whd h GLU 50 CO 0.06 -0.85 0.46 0.00 -2.18 0.00 0.00 179.01 176.50 1whd h ARG 51 N -1.33 0.04 -0.45 1.92 3.08 -1.57 1.04 114.38 117.11 1whd h ARG 51 Ca -0.14 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1whd h ARG 51 Cb 1.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1whd h ARG 51 CO 0.22 0.03 -0.09 0.00 -1.07 0.00 0.00 179.97 179.07 1whd h ALA 52 N 1.98 0.62 0.00 0.04 0.00 -1.37 -3.47 119.26 117.06 1whd h ALA 52 Ca 0.79 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1whd h ALA 52 Cb 2.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1whd h ALA 52 CO -0.77 0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1whd n GLY 53 N -0.24 0.24 3.80 0.00 0.00 0.36 -4.93 105.19 104.42 1whd n GLY 53 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.30 0.03 0.99 0.20 -0.71 -4.93 118.68 118.56 1whd s LEU 54 Ca 0.00 0.37 0.07 0.00 0.69 0.00 0.00 54.13 55.25 1whd s LEU 54 Cb 0.00 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1whd s LEU 54 CO 0.00 0.29 -0.17 -1.58 -0.29 0.00 0.00 176.35 174.60 1whd s GLN 55 N -0.31 2.14 0.53 1.98 2.00 -1.26 -4.47 119.66 120.26 1whd s GLN 55 Ca 0.12 -0.94 -0.18 0.00 -2.00 0.00 0.00 55.36 52.36 1whd s GLN 55 Cb -0.12 -2.23 -0.07 0.00 0.80 0.00 0.00 33.01 31.40 1whd s GLN 55 CO 0.01 0.55 1.02 1.14 -0.50 0.00 0.00 175.29 177.52 1whd s GLN 56 N -1.40 3.70 -0.65 1.67 -2.07 -1.26 -3.91 119.66 115.74 1whd s GLN 56 Ca 0.15 1.19 -0.04 0.00 -1.82 0.00 0.00 55.36 54.83 1whd s GLN 56 Cb -0.11 -2.09 0.00 0.00 -1.09 0.00 0.00 33.01 29.73 1whd s GLN 56 CO 0.05 -0.50 0.52 1.28 -1.32 0.00 0.00 175.29 175.33 1whd n LEU 57 N -1.47 -2.58 -4.71 2.60 4.77 -1.26 -5.03 117.00 109.33 1whd n LEU 57 Ca 0.08 -0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 1whd n LEU 57 Cb 0.53 -1.68 -0.08 0.00 -2.33 0.00 0.00 43.42 39.86 1whd n LEU 57 CO 0.44 0.28 -0.31 -1.81 -1.33 0.00 0.00 177.39 174.66 1whd s ASP 58 N -3.11 5.24 -0.15 -1.43 1.01 -1.25 -4.87 116.67 112.11 1whd s ASP 58 Ca 0.26 -0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.37 1whd s ASP 58 Cb -0.11 -1.37 -0.05 0.00 1.01 0.00 0.00 42.92 42.40 1whd s ASP 58 CO 0.32 0.24 0.27 -0.89 0.21 0.00 0.00 175.17 175.32 1whd s THR 59 N -1.19 5.31 -0.25 -1.27 2.01 -1.26 -1.62 115.64 117.37 1whd s THR 59 Ca 0.23 0.49 -0.24 0.00 0.31 0.00 0.00 61.69 62.48 1whd s THR 59 Cb -0.12 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.79 1whd s THR 59 CO 0.14 0.44 0.83 -0.69 -0.69 0.00 0.00 174.62 174.64 1whd s VAL 60 N 0.16 4.83 -0.16 3.82 1.01 -0.77 -3.07 120.40 126.22 1whd s VAL 60 Ca 0.16 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.55 1whd s VAL 60 Cb -0.13 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1whd s VAL 60 CO 0.04 -0.09 -0.11 0.18 0.00 0.00 0.00 175.10 175.12 1whd n LEU 61 N 6.03 1.84 -3.71 3.92 4.77 -0.99 -4.43 117.00 124.42 1whd n LEU 61 Ca 0.05 0.55 -0.15 0.00 -0.03 0.00 0.00 56.01 56.44 1whd n LEU 61 Cb 0.48 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 1whd n LEU 61 CO 0.48 -0.26 -0.22 0.00 -1.33 0.00 0.00 177.39 176.06 1whd s GLN 62 N -2.33 0.08 -0.18 3.23 -2.07 -1.25 -2.75 119.66 114.39 1whd s GLN 62 Ca -0.20 0.47 -0.11 0.00 -1.82 0.00 0.00 55.36 53.71 1whd s GLN 62 Cb 0.04 -0.21 -0.05 0.00 -1.09 0.00 0.00 33.01 31.70 1whd s GLN 62 CO 0.33 -0.23 0.18 -1.17 -1.32 0.00 0.00 175.29 173.08 1whd s LEU 63 N 1.68 4.25 -1.47 2.60 1.98 0.16 -2.47 118.68 125.40 1whd s LEU 63 Ca -0.04 0.34 -0.11 0.00 -2.89 0.00 0.00 54.13 51.43 1whd s LEU 63 Cb -0.12 -2.17 0.06 0.00 0.66 0.00 0.00 46.19 44.62 1whd s LEU 63 CO -0.06 0.19 0.93 0.59 -1.89 0.00 0.00 176.35 176.12 1whd n ASN 64 N 3.30 -5.25 -1.97 3.68 5.03 0.16 -0.72 115.26 119.49 1whd n ASN 64 Ca -0.15 -0.62 -0.16 0.00 0.87 0.00 0.00 54.58 54.51 1whd n ASN 64 Cb 0.52 -4.19 0.00 0.00 -1.02 0.00 0.00 39.78 35.10 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 -4.58 -1.94 -4.30 3.52 1.02 -1.26 -5.01 120.64 108.08 1whd n GLU 65 Ca 0.01 0.76 -0.20 0.00 -0.02 0.00 0.00 57.16 57.71 1whd n GLU 65 Cb 0.55 -5.15 -0.13 0.00 -0.02 0.00 0.00 31.44 26.68 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 -4.97 0.90 -0.30 3.49 1.81 0.11 -5.10 118.95 114.89 1whd s ARG 66 Ca 0.06 -0.82 -0.29 0.00 -1.72 0.00 0.00 55.73 52.97 1whd s ARG 66 Cb -0.03 -0.92 -0.02 0.00 -0.45 0.00 0.00 34.95 33.54 1whd s ARG 66 CO 0.08 0.22 1.66 -1.25 -0.68 0.00 0.00 175.30 175.33 1whd s PRO 67 N -1.32 3.56 -0.06 3.54 0.04 -1.26 -0.66 135.00 138.84 1whd s PRO 67 Ca 0.01 1.45 0.09 0.00 0.04 0.00 0.00 61.00 62.59 1whd s PRO 67 Cb -0.08 -4.10 0.14 0.00 0.04 0.00 0.00 34.50 30.49 1whd s PRO 67 CO 0.02 -1.58 1.03 1.33 0.04 0.00 0.00 177.00 177.84 1whd n VAL 68 N 6.96 1.05 0.23 -0.36 0.24 -1.13 -4.77 118.33 120.55 1whd n VAL 68 Ca 0.20 -1.23 0.07 0.00 -2.04 0.00 0.00 64.34 61.35 1whd n VAL 68 Cb 0.46 0.19 0.60 0.00 -1.47 0.00 0.00 33.84 33.62 1whd n VAL 68 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1whd h GLU 69 N 0.00 0.05 -0.50 7.34 4.22 -1.73 -1.55 114.58 122.42 1whd h GLU 69 Ca 0.00 -0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.20 1whd h GLU 69 Cb 1.05 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 1whd h GLU 69 CO 0.00 0.06 0.09 1.58 -2.18 0.00 0.00 179.01 178.56 1whd n HIS 70 N -4.50 1.55 -4.10 0.92 -0.00 -1.26 -3.89 115.22 103.93 1whd n HIS 70 Ca -0.02 -1.58 -0.34 0.00 0.46 0.00 0.00 57.72 56.24 1whd n HIS 70 Cb 0.11 -0.58 -0.07 0.00 -0.12 0.00 0.00 29.99 29.33 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 -3.22 3.33 0.19 1.57 0.52 -0.58 -4.86 118.94 115.89 1whd s TRP 71 Ca 0.47 0.26 -0.06 0.00 0.02 0.00 0.00 56.10 56.80 1whd s TRP 71 Cb 0.42 -1.78 -0.06 0.00 -1.15 0.00 0.00 33.47 30.90 1whd s TRP 71 CO 0.03 0.57 0.45 0.15 0.02 0.00 0.00 176.95 178.17 1whd s LYS 72 N -1.52 3.65 0.23 4.98 1.02 -1.26 -2.99 119.74 123.86 1whd s LYS 72 Ca 0.21 -0.01 0.05 0.00 0.02 0.00 0.00 55.97 56.24 1whd s LYS 72 Cb -0.12 -2.77 0.66 0.00 -0.52 0.00 0.00 37.83 35.08 1whd s LYS 72 CO 0.11 0.38 1.11 0.00 -0.92 0.00 0.00 175.35 176.03 1whd h VAL 74 N 0.00 0.44 -0.57 0.00 2.07 -1.93 0.50 116.25 116.75 1whd h VAL 74 Ca 0.48 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1whd h VAL 74 Cb 1.09 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 1whd h VAL 74 CO -0.63 0.07 0.13 -0.33 0.02 0.00 0.00 177.57 176.83 1whd h GLU 75 N -0.93 0.26 0.48 1.57 3.07 -0.20 -2.33 114.58 116.52 1whd h GLU 75 Ca -0.06 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1whd h GLU 75 Cb 0.58 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1whd h GLU 75 CO 0.10 0.17 -0.23 1.25 -1.40 0.00 0.00 179.01 178.90 1whd h LEU 76 N 0.27 -0.55 -1.03 1.33 5.85 -0.61 -3.20 115.31 117.36 1whd h LEU 76 Ca 0.30 0.00 0.36 0.00 0.84 0.00 0.00 57.88 59.39 1whd h LEU 76 Cb 0.42 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 1whd h LEU 76 CO -0.37 -0.13 0.66 0.00 -0.34 0.00 0.00 178.44 178.25 1whd n ALA 77 N -2.72 1.03 -0.09 1.25 0.00 0.18 0.18 120.51 120.33 1whd n ALA 77 Ca -0.08 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 53.98 1whd n ALA 77 Cb 0.26 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 0.11 0.12 0.00 -0.00 -1.41 -0.54 115.15 113.43 1whd h HIS 78 Ca 0.68 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 61.06 1whd h HIS 78 Cb 2.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.56 1whd h HIS 78 CO -0.00 0.02 -0.06 1.49 -0.00 0.00 0.00 177.93 179.38 1whd h GLU 79 N 0.18 -0.15 -0.63 5.26 4.22 0.17 0.37 114.58 124.00 1whd h GLU 79 Ca 0.16 0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.74 1whd h GLU 79 Cb 0.17 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 1whd h GLU 79 CO -0.21 0.11 0.06 0.82 -2.18 0.00 0.00 179.01 177.62 1whd h ILE 80 N -0.42 0.53 -0.11 2.32 2.04 -1.26 -1.78 117.51 118.83 1whd h ILE 80 Ca -0.02 -0.06 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 1whd h ILE 80 Cb 0.34 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1whd h ILE 80 CO 0.03 0.03 -0.57 0.03 0.00 0.00 0.00 178.15 177.67 1whd h ARG 81 N 0.17 0.58 -0.81 2.37 2.47 -1.04 -3.25 114.38 114.86 1whd h ARG 81 Ca 0.33 -0.48 0.30 0.00 -1.26 0.00 0.00 59.98 58.87 1whd h ARG 81 Cb 0.54 0.10 -0.15 0.00 -1.65 0.00 0.00 29.97 28.81 1whd h ARG 81 CO -0.49 1.10 0.28 0.43 0.56 0.00 0.00 179.97 181.85 1whd n SER 82 N -4.16 0.14 -4.22 7.04 7.64 0.13 -3.01 113.62 117.18 1whd n SER 82 Ca -0.08 1.36 -0.41 0.00 1.01 0.00 0.00 58.87 60.75 1whd n SER 82 Cb 0.64 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 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 8.44 -0.08 0.00 0.00 0.13 -1.78 -3.37 132.00 135.34 1whd h PRO 84 Ca -0.21 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1whd h PRO 84 Cb 1.07 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1whd h PRO 84 CO 0.87 0.38 0.00 0.43 -0.23 0.00 0.00 178.00 179.45 1whd n SER 85 N -4.90 0.00 -3.99 1.44 7.64 -1.26 -3.82 113.62 108.74 1whd n SER 85 Ca -0.08 0.72 -0.09 0.00 1.01 0.00 0.00 58.87 60.42 1whd n SER 85 Cb 0.25 -0.22 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.88 0.94 -0.08 1.43 2.02 -1.26 -1.40 118.70 118.48 1whd s GLU 86 Ca 0.00 -1.17 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 1whd s GLU 86 Cb 0.00 0.32 0.03 0.00 0.10 0.00 0.00 34.13 34.58 1whd s GLU 86 CO 0.00 -0.30 0.21 0.96 0.02 0.00 0.00 175.26 176.15 1whd s ILE 87 N -3.95 -0.02 -0.31 -1.63 -5.25 -0.48 -4.79 121.20 104.77 1whd s ILE 87 Ca 0.14 0.06 -0.08 0.00 -0.99 0.00 0.00 60.65 59.77 1whd s ILE 87 Cb 0.05 -0.31 0.01 0.00 2.95 0.00 0.00 42.46 45.16 1whd s ILE 87 CO -0.04 0.02 0.12 -0.63 -1.79 0.00 0.00 174.94 172.63 1whd s ILE 88 N 0.54 4.24 -0.05 8.37 -1.09 -1.26 -2.31 121.20 129.64 1whd s ILE 88 Ca -0.04 -0.67 0.06 0.00 -2.23 0.00 0.00 60.65 57.78 1whd s ILE 88 Cb -0.05 -3.22 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1whd s ILE 88 CO -0.03 0.01 -0.23 -1.48 -1.23 0.00 0.00 174.94 171.98 1whd s LEU 89 N 1.54 2.18 -0.10 2.97 2.34 -1.08 0.35 118.68 126.88 1whd s LEU 89 Ca 0.03 -0.45 -0.00 0.00 0.06 0.00 0.00 54.13 53.77 1whd s LEU 89 Cb -0.18 -1.40 -0.03 0.00 -0.56 0.00 0.00 46.19 44.03 1whd s LEU 89 CO 0.04 0.28 -0.08 -0.22 -1.06 0.00 0.00 176.35 175.31 1whd s LEU 90 N -0.36 3.09 0.20 1.48 2.96 -1.03 -1.95 118.68 123.07 1whd s LEU 90 Ca 0.02 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1whd s LEU 90 Cb -0.12 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1whd s LEU 90 CO 0.02 0.29 0.14 0.68 -1.32 0.00 0.00 176.35 176.16 1whd s VAL 91 N -0.37 0.00 -0.16 1.68 -7.23 -1.18 -2.34 120.40 110.79 1whd s VAL 91 Ca 0.05 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.15 1whd s VAL 91 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1whd s VAL 91 CO 0.02 0.00 0.10 0.86 -0.31 0.00 0.00 175.10 175.78 1whd s TRP 92 N -4.14 3.41 0.06 2.82 -0.11 -1.18 -3.26 118.94 116.55 1whd s TRP 92 Ca 0.39 0.32 0.05 0.00 1.22 0.00 0.00 56.10 58.08 1whd s TRP 92 Cb 0.07 -2.03 -0.03 0.00 -1.50 0.00 0.00 33.47 29.98 1whd s TRP 92 CO 0.12 0.43 -0.14 0.50 -4.62 0.00 0.00 176.95 173.24 1whd s ARG 93 N -0.23 0.85 -0.11 5.86 3.52 -1.18 -4.48 118.95 123.18 1whd s ARG 93 Ca 0.10 -0.91 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 1whd s ARG 93 Cb -0.12 -0.86 0.01 0.00 -1.56 0.00 0.00 34.95 32.42 1whd s ARG 93 CO 0.01 0.20 -0.20 0.08 -0.81 0.00 0.00 175.30 174.58 1whd s VAL 94 N -1.17 1.77 -0.21 7.11 1.01 -1.26 -0.78 120.40 126.86 1whd s VAL 94 Ca -0.01 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1whd s VAL 94 Cb -0.09 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1whd s VAL 94 CO 0.02 0.50 -0.15 -0.55 0.00 0.00 0.00 175.10 174.91 1whd s SER 95 N 0.65 3.65 -0.08 3.32 0.15 -1.26 -4.98 113.70 115.15 1whd s SER 95 Ca -0.13 -0.96 0.04 0.00 0.70 0.00 0.00 55.95 55.61 1whd s SER 95 Cb -0.16 -1.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.66 1whd s SER 95 CO 0.03 -0.09 -0.21 -0.83 1.20 0.00 0.00 173.24 173.34 1whd s GLY 96 N 1.23 1.39 0.36 9.45 0.00 -1.26 -4.90 107.32 113.59 1whd s GLY 96 Ca -0.01 -0.99 0.27 0.00 0.00 0.00 0.00 44.72 43.99 1whd s GLY 96 CO -0.09 -0.52 1.81 -0.56 0.00 0.00 0.00 173.10 173.74 1whd h PRO 97 N 6.20 0.00 -6.05 2.90 0.13 -2.04 -3.44 132.00 129.71 1whd h PRO 97 Ca -0.30 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.22 1whd h PRO 97 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1whd h PRO 97 CO 0.49 0.00 1.41 0.45 -0.23 0.00 0.00 178.00 180.13 1whd n SER 98 N -2.52 3.10 -0.03 1.44 2.88 -1.26 -4.86 113.62 112.38 1whd n SER 98 Ca 0.01 0.39 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 1whd n SER 98 Cb 0.25 -1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 62.22 1whd n SER 98 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1whd h SER 99 N 13.45 -0.57 0.00 -3.46 4.64 -2.07 -3.55 113.55 122.00 1whd h SER 99 Ca -0.39 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1whd h SER 99 Cb 1.26 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1whd h SER 99 CO 0.97 -0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.32