#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd n SER 2 N 0.00 0.98 -4.40 1.61 7.64 -1.26 -4.98 113.62 113.21 1whd n SER 2 Ca 0.00 0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.58 1whd n SER 2 Cb 0.00 -0.34 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 1whd n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1whd s SER 3 N -5.72 6.08 0.00 6.43 0.15 -1.26 -4.83 113.70 114.55 1whd s SER 3 Ca -0.04 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1whd s SER 3 Cb 0.01 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1whd s SER 3 CO 0.06 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1whd n GLY 4 N 5.16 -0.18 0.41 9.45 0.00 -1.26 -4.96 105.19 113.81 1whd n GLY 4 Ca -0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1whd n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1whd h SER 5 N 0.00 -1.45 -4.48 1.61 0.87 -1.96 -3.46 113.55 104.69 1whd h SER 5 Ca 0.00 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1whd h SER 5 Cb 0.00 0.56 -0.21 0.00 -0.44 0.00 0.00 62.40 62.31 1whd h SER 5 CO 0.00 -0.43 0.25 -0.44 -0.53 0.00 0.00 176.83 175.67 1whd s SER 6 N -4.47 -0.62 -0.09 6.23 0.01 -1.26 -4.93 113.70 108.57 1whd s SER 6 Ca -0.13 0.87 -0.13 0.00 1.31 0.00 0.00 55.95 57.86 1whd s SER 6 Cb 0.06 0.76 -0.28 0.00 0.21 0.00 0.00 66.02 66.77 1whd s SER 6 CO 0.52 -0.44 0.55 1.23 0.41 0.00 0.00 173.24 175.51 1whd h GLY 7 N 3.53 0.33 -6.61 3.44 0.00 -1.99 -3.47 103.07 98.30 1whd h GLY 7 Ca -0.26 -0.85 -0.53 0.00 0.00 0.00 0.00 47.33 45.69 1whd h GLY 7 CO 0.27 0.74 -0.78 -1.84 0.00 0.00 0.00 176.54 174.93 1whd n GLU 8 N -3.76 -0.79 0.00 4.80 0.28 -1.26 -4.79 120.64 115.12 1whd n GLU 8 Ca -0.26 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 1whd n GLU 8 Cb 0.98 -3.82 0.00 0.00 1.43 0.00 0.00 31.44 30.02 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1whd n GLY 9 N -1.23 -2.86 3.87 -1.84 0.00 -1.26 -4.47 105.19 97.39 1whd n GLY 9 Ca 0.03 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.94 6.61 0.12 1.61 -4.77 -1.26 -5.04 116.67 110.99 1whd s ASP 10 Ca 0.00 1.09 -0.31 0.00 -3.30 0.00 0.00 52.55 50.03 1whd s ASP 10 Cb 0.00 -2.30 -0.08 0.00 -1.09 0.00 0.00 42.92 39.45 1whd s ASP 10 CO 0.00 -0.26 1.36 -2.16 0.70 0.00 0.00 175.17 174.81 1whd s PRO 11 N -3.37 4.34 -0.35 2.11 0.04 -1.26 -5.01 135.00 131.50 1whd s PRO 11 Ca 0.51 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.50 1whd s PRO 11 Cb -0.10 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1whd s PRO 11 CO 0.25 -0.40 0.14 -2.00 0.04 0.00 0.00 177.00 175.03 1whd s GLU 12 N 0.98 2.74 -0.07 4.56 2.56 -1.26 -4.98 118.70 123.22 1whd s GLU 12 Ca 0.63 -1.11 -0.01 0.00 0.00 0.00 0.00 54.97 54.47 1whd s GLU 12 Cb -0.36 -3.55 -0.00 0.00 2.00 0.00 0.00 34.13 32.22 1whd s GLU 12 CO 0.31 -0.66 -0.03 -0.91 -0.56 0.00 0.00 175.26 173.41 1whd h ASN 13 N 8.30 0.00 -3.00 -1.70 2.35 -1.95 -3.48 115.58 116.11 1whd h ASN 13 Ca -0.25 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.04 1whd h ASN 13 Cb 1.09 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.50 1whd h ASN 13 CO 0.62 0.38 -0.02 -0.83 -1.65 0.00 0.00 177.43 175.94 1whd s GLY 14 N -3.20 1.58 0.04 2.83 0.00 -1.26 -3.79 107.32 103.52 1whd s GLY 14 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.71 1whd s GLY 14 CO 0.04 -0.75 0.03 -1.83 0.00 0.00 0.00 173.10 170.58 1whd s GLU 15 N -4.68 0.51 -0.18 2.90 -1.05 -0.19 -4.94 118.70 111.07 1whd s GLU 15 Ca 0.50 -0.82 -0.29 0.00 -0.15 0.00 0.00 54.97 54.21 1whd s GLU 15 Cb -0.10 0.19 -0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1whd s GLU 15 CO 0.40 -0.11 1.08 0.15 0.95 0.00 0.00 175.26 177.73 1whd s LYS 16 N -2.58 4.30 -0.02 -4.83 1.02 -1.26 -3.09 119.74 113.28 1whd s LYS 16 Ca -0.05 1.44 0.04 0.00 0.02 0.00 0.00 55.97 57.41 1whd s LYS 16 Cb -0.02 -3.63 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 1whd s LYS 16 CO -0.05 -0.55 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.17 1whd s LEU 17 N 2.90 1.97 0.12 3.17 1.43 -1.06 -5.03 118.68 122.18 1whd s LEU 17 Ca 0.47 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 1whd s LEU 17 Cb -0.17 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 1whd s LEU 17 CO 0.11 0.16 0.42 -1.58 0.23 0.00 0.00 176.35 175.69 1whd s GLN 18 N -0.19 3.73 -0.21 1.70 0.74 -1.26 -2.79 119.66 121.38 1whd s GLN 18 Ca 0.03 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.54 1whd s GLN 18 Cb -0.07 -2.90 0.06 0.00 1.10 0.00 0.00 33.01 31.20 1whd s GLN 18 CO 0.00 0.49 -0.00 0.42 -0.55 0.00 0.00 175.29 175.65 1whd s ILE 19 N -1.54 0.95 -0.64 -2.34 -1.09 -0.76 -5.01 121.20 110.76 1whd s ILE 19 Ca 0.38 -0.82 -0.25 0.00 -2.23 0.00 0.00 60.65 57.73 1whd s ILE 19 Cb -0.13 -1.34 0.05 0.00 -1.58 0.00 0.00 42.46 39.46 1whd s ILE 19 CO 0.21 -0.15 1.07 -0.89 -1.23 0.00 0.00 174.94 173.94 1whd s THR 20 N 1.67 4.15 0.12 2.92 2.01 -1.26 -3.38 115.64 121.86 1whd s THR 20 Ca -0.03 0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 1whd s THR 20 Cb -0.18 -4.71 -0.07 0.00 0.01 0.00 0.00 72.50 67.55 1whd s THR 20 CO -0.07 -1.46 0.55 -0.63 -0.69 0.00 0.00 174.62 172.32 1whd s ILE 21 N 4.57 4.83 -0.25 1.82 1.01 -1.07 -4.92 121.20 127.19 1whd s ILE 21 Ca 0.30 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.88 1whd s ILE 21 Cb -0.12 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.62 1whd s ILE 21 CO 0.15 0.33 -0.09 -0.60 0.00 0.00 0.00 174.94 174.73 1whd s ARG 22 N -1.72 2.49 -0.46 2.79 3.52 -1.26 -2.48 118.95 121.82 1whd s ARG 22 Ca 0.35 -1.19 -0.44 0.00 -0.13 0.00 0.00 55.73 54.32 1whd s ARG 22 Cb -0.16 -2.91 -0.19 0.00 -1.56 0.00 0.00 34.95 30.13 1whd s ARG 22 CO 0.19 -0.50 1.85 -2.13 -0.81 0.00 0.00 175.30 173.90 1whd n ARG 23 N 4.54 0.20 0.00 5.12 0.63 -0.69 -4.76 116.66 121.71 1whd n ARG 23 Ca -0.15 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1whd n ARG 23 Cb 0.44 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.72 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 5.45 1.22 3.71 5.14 0.00 -1.24 -4.96 105.19 114.50 1whd n GLY 24 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 1whd n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1whd s LYS 25 N 1.89 4.53 -1.32 1.61 -2.85 -1.26 -3.99 119.74 118.35 1whd s LYS 25 Ca 0.00 1.32 -0.14 0.00 -1.00 0.00 0.00 55.97 56.15 1whd s LYS 25 Cb 0.00 -3.46 0.01 0.00 -2.06 0.00 0.00 37.83 32.32 1whd s LYS 25 CO 0.00 -0.05 0.50 -0.25 0.10 0.00 0.00 175.35 175.65 1whd n ASP 26 N 3.95 -2.28 0.00 0.03 9.92 -1.26 -4.08 116.55 122.84 1whd n ASP 26 Ca 0.05 -1.13 0.00 0.00 -0.53 0.00 0.00 54.79 53.18 1whd n ASP 26 Cb 0.51 -2.53 0.00 0.00 -0.64 0.00 0.00 41.12 38.46 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1whd n GLY 27 N -2.05 0.87 3.56 0.44 0.00 -1.26 -4.26 105.19 102.50 1whd n GLY 27 Ca -0.21 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 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 1.54 0.61 1.61 0.08 -1.26 -3.64 117.98 116.92 1whd s PHE 28 Ca 0.00 1.12 0.20 0.00 0.12 0.00 0.00 56.93 58.37 1whd s PHE 28 Cb 0.00 -3.83 0.68 0.00 -0.57 0.00 0.00 43.02 39.29 1whd s PHE 28 CO 0.00 -1.81 1.21 0.41 -0.10 0.00 0.00 175.22 174.93 1whd n GLY 29 N 6.66 -0.69 3.86 4.36 0.00 -1.26 -4.29 105.19 113.83 1whd n GLY 29 Ca 0.40 0.27 -0.33 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.30 3.50 0.03 1.61 -0.71 -1.26 -3.94 117.98 112.91 1whd s PHE 30 Ca -0.02 0.94 0.06 0.00 -1.04 0.00 0.00 56.93 56.86 1whd s PHE 30 Cb 0.10 -2.29 -0.02 0.00 -1.21 0.00 0.00 43.02 39.60 1whd s PHE 30 CO 0.35 0.34 -0.17 0.99 -1.34 0.00 0.00 175.22 175.39 1whd s THR 31 N -1.66 1.35 -0.03 -4.49 2.01 -0.83 -5.02 115.64 106.97 1whd s THR 31 Ca 0.43 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1whd s THR 31 Cb -0.13 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1whd s THR 31 CO 0.20 0.17 -0.01 0.27 -0.69 0.00 0.00 174.62 174.57 1whd s ILE 32 N -0.70 0.20 -0.19 1.82 -4.36 -1.26 -1.39 121.20 115.32 1whd s ILE 32 Ca 0.05 0.04 -0.07 0.00 -0.26 0.00 0.00 60.65 60.41 1whd s ILE 32 Cb -0.08 -0.28 0.08 0.00 1.25 0.00 0.00 42.46 43.44 1whd s ILE 32 CO 0.01 0.14 0.41 0.00 0.24 0.00 0.00 174.94 175.73 1whd s ASP 35 N -1.58 6.96 -0.25 0.00 1.47 -1.26 -2.11 116.67 119.90 1whd s ASP 35 Ca 0.09 1.16 -0.25 0.00 1.18 0.00 0.00 52.55 54.72 1whd s ASP 35 Cb -0.01 -2.40 -0.11 0.00 -0.34 0.00 0.00 42.92 40.06 1whd s ASP 35 CO -0.05 -0.10 0.85 -1.54 0.68 0.00 0.00 175.17 175.00 1whd n SER 36 N 3.75 0.61 -4.77 2.11 3.41 -1.06 -4.07 113.62 113.59 1whd n SER 36 Ca -0.02 0.64 -0.34 0.00 -0.26 0.00 0.00 58.87 58.89 1whd n SER 36 Cb 0.51 -0.48 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 3.19 0.54 4.33 0.04 -1.25 -4.92 135.00 138.45 1whd s PRO 37 Ca 0.56 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 1whd s PRO 37 Cb -0.80 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 1whd s PRO 37 CO 0.43 -0.97 0.96 0.08 0.04 0.00 0.00 177.00 177.55 1whd s VAL 38 N -1.94 4.67 0.35 -0.36 1.01 -1.25 -4.87 120.40 118.00 1whd s VAL 38 Ca 0.71 0.93 0.03 0.00 0.00 0.00 0.00 61.98 63.65 1whd s VAL 38 Cb -0.23 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1whd s VAL 38 CO 0.31 -0.87 0.39 -0.13 0.00 0.00 0.00 175.10 174.81 1whd s ARG 39 N -4.55 1.89 0.06 2.72 0.52 -1.26 -2.00 118.95 116.33 1whd s ARG 39 Ca 0.55 -1.93 -0.12 0.00 -0.52 0.00 0.00 55.73 53.72 1whd s ARG 39 Cb -0.10 0.39 -0.06 0.00 0.52 0.00 0.00 34.95 35.70 1whd s ARG 39 CO 0.42 -0.75 0.42 0.08 0.02 0.00 0.00 175.30 175.48 1whd s VAL 40 N -3.14 5.05 -0.24 3.52 1.01 -0.33 -2.98 120.40 123.29 1whd s VAL 40 Ca 0.36 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 1whd s VAL 40 Cb 0.01 -3.67 -0.16 0.00 0.00 0.00 0.00 36.38 32.55 1whd s VAL 40 CO 0.25 0.37 -0.06 1.67 0.00 0.00 0.00 175.10 177.34 1whd n GLN 41 N 1.18 0.60 -3.60 2.72 7.27 -0.49 -3.91 117.38 121.14 1whd n GLN 41 Ca -0.10 0.39 -0.08 0.00 0.07 0.00 0.00 57.00 57.28 1whd n GLN 41 Cb 0.52 -1.62 -0.05 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 -2.45 -1.99 -0.14 1.69 0.00 -0.96 -4.88 121.76 113.02 1whd s ALA 42 Ca -0.33 1.69 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 1whd s ALA 42 Cb 0.10 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1whd s ALA 42 CO 0.56 -0.27 -0.11 0.08 0.00 0.00 0.00 175.76 176.01 1whd s VAL 43 N -0.81 3.18 -0.61 0.00 1.01 -1.26 -1.97 120.40 119.94 1whd s VAL 43 Ca 0.02 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 1whd s VAL 43 Cb -0.02 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.04 1whd s VAL 43 CO -0.02 0.52 1.30 -0.62 0.00 0.00 0.00 175.10 176.27 1whd s ASP 44 N 0.38 6.26 -0.26 3.32 -1.08 -1.25 -4.95 116.67 119.08 1whd s ASP 44 Ca -0.09 0.05 -0.33 0.00 -0.52 0.00 0.00 52.55 51.66 1whd s ASP 44 Cb -0.16 -2.55 -0.09 0.00 -1.46 0.00 0.00 42.92 38.66 1whd s ASP 44 CO 0.05 -1.65 2.15 -0.24 0.52 0.00 0.00 175.17 176.00 1whd n SER 45 N 9.11 2.73 0.00 -0.34 2.88 -1.26 -0.28 113.62 126.45 1whd n SER 45 Ca 0.09 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1whd n SER 45 Cb 0.49 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1whd n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whd n GLY 46 N 5.94 2.50 3.30 0.46 0.00 -1.26 -5.09 105.19 111.04 1whd n GLY 46 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.35 1.41 0.42 -0.02 0.00 0.61 -4.73 107.32 102.66 1whd s GLY 47 Ca 0.00 -0.78 0.29 0.00 0.00 0.00 0.00 44.72 44.23 1whd s GLY 47 CO 0.00 0.23 1.87 -0.56 0.00 0.00 0.00 173.10 174.63 1whd h PRO 48 N -3.43 0.00 0.04 2.90 0.13 -1.86 -2.89 132.00 126.89 1whd h PRO 48 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 1whd h PRO 48 Cb 1.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1whd h PRO 48 CO 0.29 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 177.71 1whd h ALA 49 N 2.12 -0.02 0.13 -0.56 0.00 -1.89 -3.27 119.26 115.77 1whd h ALA 49 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1whd h ALA 49 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1whd h ALA 49 CO 0.00 0.15 -0.06 1.49 0.00 0.00 0.00 179.25 180.83 1whd h GLU 50 N -0.63 -0.17 -0.98 0.00 4.81 -1.77 -2.12 114.58 113.72 1whd h GLU 50 Ca -0.06 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.49 1whd h GLU 50 Cb 1.21 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.48 1whd h GLU 50 CO 0.07 0.00 0.48 0.07 -0.73 0.00 0.00 179.01 178.90 1whd h ARG 51 N -0.32 0.27 0.55 1.92 0.11 -1.66 -1.59 114.38 113.66 1whd h ARG 51 Ca -0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 1whd h ARG 51 Cb 0.26 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.28 1whd h ARG 51 CO 0.03 0.18 -0.26 0.00 0.10 0.00 0.00 179.97 180.02 1whd h ALA 52 N 1.84 -0.77 0.00 0.08 0.00 -1.55 -3.48 119.26 115.39 1whd h ALA 52 Ca 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1whd h ALA 52 Cb 1.56 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1whd h ALA 52 CO -0.63 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 178.31 1whd n GLY 53 N -0.17 0.00 3.75 0.00 0.00 -0.60 -5.03 105.19 103.16 1whd n GLY 53 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 4.46 0.37 0.99 0.20 -0.84 -5.00 118.68 118.85 1whd s LEU 54 Ca 0.00 1.39 0.08 0.00 0.69 0.00 0.00 54.13 56.30 1whd s LEU 54 Cb 0.00 -3.15 -0.07 0.00 -0.43 0.00 0.00 46.19 42.54 1whd s LEU 54 CO 0.00 0.07 -0.04 -1.58 -0.29 0.00 0.00 176.35 174.51 1whd s GLN 55 N -0.24 1.91 0.20 1.98 0.74 -1.26 -4.65 119.66 118.34 1whd s GLN 55 Ca 0.36 -1.98 -0.06 0.00 0.05 0.00 0.00 55.36 53.73 1whd s GLN 55 Cb -0.20 -1.71 -0.06 0.00 1.10 0.00 0.00 33.01 32.13 1whd s GLN 55 CO 0.22 0.06 0.47 -1.14 -0.55 0.00 0.00 175.29 174.35 1whd s GLN 56 N -3.67 3.69 -1.12 1.67 0.74 -1.26 -4.18 119.66 115.53 1whd s GLN 56 Ca 0.34 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.81 1whd s GLN 56 Cb 0.05 -2.73 0.00 0.00 1.10 0.00 0.00 33.01 31.43 1whd s GLN 56 CO 0.18 0.36 0.00 1.28 -0.55 0.00 0.00 175.29 176.56 1whd n LEU 57 N -0.21 -1.45 -4.85 3.68 4.77 -1.25 -4.98 117.00 112.71 1whd n LEU 57 Ca -0.01 0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.64 1whd n LEU 57 Cb 0.52 -1.96 -0.06 0.00 -2.33 0.00 0.00 43.42 39.60 1whd n LEU 57 CO 0.47 -0.23 0.05 -1.81 -1.33 0.00 0.00 177.39 174.54 1whd s ASP 58 N -2.51 6.70 -0.14 -1.43 1.11 -1.26 -4.77 116.67 114.36 1whd s ASP 58 Ca 0.00 0.83 -0.18 0.00 0.18 0.00 0.00 52.55 53.38 1whd s ASP 58 Cb 0.00 -2.20 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 1whd s ASP 58 CO 0.00 0.30 0.49 -0.89 1.18 0.00 0.00 175.17 176.26 1whd s THR 59 N -1.15 5.16 -0.66 -1.27 2.01 -1.26 -1.19 115.64 117.28 1whd s THR 59 Ca 0.24 0.96 -0.27 0.00 0.31 0.00 0.00 61.69 62.93 1whd s THR 59 Cb -0.15 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.55 1whd s THR 59 CO 0.13 0.28 1.45 -0.69 -0.69 0.00 0.00 174.62 175.10 1whd s VAL 60 N 0.94 3.66 -0.01 3.82 1.01 -0.85 -2.93 120.40 126.04 1whd s VAL 60 Ca 0.25 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.48 1whd s VAL 60 Cb -0.15 -4.57 -0.10 0.00 0.00 0.00 0.00 36.38 31.55 1whd s VAL 60 CO 0.10 -1.46 0.84 -0.07 0.00 0.00 0.00 175.10 174.51 1whd h LEU 61 N 13.82 -0.56 -7.37 3.92 -0.00 -1.07 -3.32 115.31 120.73 1whd h LEU 61 Ca -0.27 0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 57.48 1whd h LEU 61 Cb 1.09 0.15 -0.26 0.00 -0.00 0.00 0.00 40.66 41.63 1whd h LEU 61 CO 1.24 -0.22 -0.36 0.00 -0.00 0.00 0.00 178.44 179.10 1whd s GLN 62 N -3.79 0.35 -0.09 1.13 -2.07 -0.95 -1.47 119.66 112.76 1whd s GLN 62 Ca -0.10 0.51 0.05 0.00 -1.82 0.00 0.00 55.36 54.00 1whd s GLN 62 Cb 0.01 0.10 -0.00 0.00 -1.09 0.00 0.00 33.01 32.02 1whd s GLN 62 CO 0.29 -0.08 -0.24 -1.17 -1.32 0.00 0.00 175.29 172.77 1whd s LEU 63 N 0.55 2.08 -1.05 2.60 2.96 -0.17 -0.57 118.68 125.08 1whd s LEU 63 Ca -0.03 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1whd s LEU 63 Cb -0.05 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1whd s LEU 63 CO -0.03 0.18 0.89 0.59 -1.32 0.00 0.00 176.35 176.66 1whd n ASN 64 N 3.35 -3.39 -2.46 3.68 5.03 0.80 -2.14 115.26 120.12 1whd n ASN 64 Ca -0.19 -0.59 -0.08 0.00 0.87 0.00 0.00 54.58 54.60 1whd n ASN 64 Cb 0.53 -4.73 -0.00 0.00 -1.02 0.00 0.00 39.78 34.55 1whd n ASN 64 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1whd n GLU 65 N -3.59 -2.52 -4.42 3.52 0.28 -1.26 -4.91 120.64 107.74 1whd n GLU 65 Ca -0.20 0.37 -0.19 0.00 -0.16 0.00 0.00 57.16 56.98 1whd n GLU 65 Cb 0.64 -4.93 -0.15 0.00 1.43 0.00 0.00 31.44 28.43 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1whd s ARG 66 N -5.02 0.83 -0.16 3.44 0.52 -0.91 -5.11 118.95 112.54 1whd s ARG 66 Ca 0.00 -0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 54.57 1whd s ARG 66 Cb 0.00 -0.80 -0.03 0.00 0.52 0.00 0.00 34.95 34.64 1whd s ARG 66 CO 0.00 0.20 1.57 -1.25 0.02 0.00 0.00 175.30 175.84 1whd s PRO 67 N -0.17 3.98 -0.01 3.54 0.04 -1.26 -1.00 135.00 140.11 1whd s PRO 67 Ca 0.03 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1whd s PRO 67 Cb -0.05 -3.98 0.03 0.00 0.04 0.00 0.00 34.50 30.54 1whd s PRO 67 CO -0.00 -1.07 0.82 1.33 0.04 0.00 0.00 177.00 178.13 1whd n VAL 68 N 5.96 0.63 0.26 -0.36 0.24 -1.13 -4.77 118.33 119.16 1whd n VAL 68 Ca 0.18 -0.66 0.18 0.00 -2.04 0.00 0.00 64.34 61.99 1whd n VAL 68 Cb 0.44 0.62 0.89 0.00 -1.47 0.00 0.00 33.84 34.32 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 0.00 -0.17 7.34 4.22 -1.36 0.85 114.58 125.46 1whd h GLU 69 Ca 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 1whd h GLU 69 Cb 0.81 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 1whd h GLU 69 CO 0.00 0.00 -0.43 0.72 -2.18 0.00 0.00 179.01 177.12 1whd n HIS 70 N -3.35 0.58 -4.08 0.92 8.25 -1.26 -3.78 115.22 112.50 1whd n HIS 70 Ca 0.00 -1.63 -0.29 0.00 -0.26 0.00 0.00 57.72 55.55 1whd n HIS 70 Cb 0.34 -0.33 -0.07 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.29 3.13 0.05 4.41 0.52 0.29 -4.80 118.94 119.25 1whd s TRP 71 Ca 0.41 0.03 -0.01 0.00 0.02 0.00 0.00 56.10 56.54 1whd s TRP 71 Cb 0.38 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 31.10 1whd s TRP 71 CO -0.04 0.51 0.22 0.15 0.02 0.00 0.00 176.95 177.81 1whd s LYS 72 N -2.58 3.46 0.22 4.98 1.02 -1.26 -2.57 119.74 123.00 1whd s LYS 72 Ca 0.29 -0.37 0.09 0.00 0.02 0.00 0.00 55.97 56.00 1whd s LYS 72 Cb -0.11 -3.03 0.71 0.00 -0.52 0.00 0.00 37.83 34.87 1whd s LYS 72 CO 0.22 0.61 0.97 0.00 -0.92 0.00 0.00 175.35 176.23 1whd h VAL 74 N 0.00 0.84 -0.40 0.00 -1.51 -1.93 0.55 116.25 113.80 1whd h VAL 74 Ca 0.47 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1whd h VAL 74 Cb 1.18 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.51 1whd h VAL 74 CO -0.51 0.13 0.27 -0.33 -1.23 0.00 0.00 177.57 175.90 1whd h GLU 75 N -0.63 0.53 0.35 5.19 4.39 0.12 -2.77 114.58 121.76 1whd h GLU 75 Ca -0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1whd h GLU 75 Cb 0.45 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1whd h GLU 75 CO 0.05 0.35 -0.17 1.25 -1.16 0.00 0.00 179.01 179.34 1whd h LEU 76 N 0.55 -0.40 -0.75 1.33 5.85 -0.55 -3.22 115.31 118.11 1whd h LEU 76 Ca 0.15 0.01 0.30 0.00 0.84 0.00 0.00 57.88 59.18 1whd h LEU 76 Cb -0.06 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 40.95 1whd h LEU 76 CO -0.03 -0.12 0.43 0.00 -0.34 0.00 0.00 178.44 178.38 1whd n ALA 77 N -2.49 0.76 0.04 1.25 0.00 0.19 0.16 120.51 120.42 1whd n ALA 77 Ca -0.06 0.68 -0.11 0.00 0.00 0.00 0.00 53.44 53.95 1whd n ALA 77 Cb 0.19 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.40 -0.82 0.00 -0.00 -1.50 0.20 115.15 112.64 1whd h HIS 78 Ca 0.59 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.96 1whd h HIS 78 Cb 1.65 0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 29.20 1whd h HIS 78 CO -0.01 -0.23 0.44 0.93 -0.00 0.00 0.00 177.93 179.07 1whd h GLU 79 N -0.24 1.16 -0.00 5.26 4.39 0.15 -0.59 114.58 124.71 1whd h GLU 79 Ca 0.06 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1whd h GLU 79 Cb 0.32 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1whd h GLU 79 CO -0.17 0.86 0.00 0.82 -1.16 0.00 0.00 179.01 179.36 1whd h ILE 80 N 1.15 1.10 0.00 3.13 2.04 -0.90 -2.38 117.51 121.65 1whd h ILE 80 Ca 0.29 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1whd h ILE 80 Cb 0.05 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1whd h ILE 80 CO -0.04 0.08 -0.01 0.08 0.00 0.00 0.00 178.15 178.26 1whd h ARG 81 N -0.12 0.00 -0.71 2.37 0.11 -0.44 -2.74 114.38 112.85 1whd h ARG 81 Ca 0.00 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.10 1whd h ARG 81 Cb 0.13 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.17 1whd h ARG 81 CO -0.00 0.01 0.47 0.66 0.10 0.00 0.00 179.97 181.21 1whd h SER 82 N 0.00 0.79 -3.55 0.08 4.64 -0.55 -3.35 113.55 111.61 1whd h SER 82 Ca -0.00 -0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.62 1whd h SER 82 Cb 0.36 -0.19 -0.36 0.00 -0.31 0.00 0.00 62.40 61.89 1whd h SER 82 CO 0.00 0.56 -0.60 0.00 -0.87 0.00 0.00 176.83 175.93 1whd h PRO 84 N 7.92 -0.01 0.00 0.00 0.13 -1.79 -3.37 132.00 134.89 1whd h PRO 84 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1whd h PRO 84 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1whd h PRO 84 CO 0.65 0.48 0.00 0.43 -0.23 0.00 0.00 178.00 179.33 1whd n SER 85 N -4.86 0.00 -4.17 1.44 7.64 -1.26 -4.35 113.62 108.06 1whd n SER 85 Ca -0.08 0.74 -0.11 0.00 1.01 0.00 0.00 58.87 60.43 1whd n SER 85 Cb 0.25 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.96 0.94 -0.04 1.43 2.02 -1.26 -1.70 118.70 118.14 1whd s GLU 86 Ca 0.00 -1.44 -0.01 0.00 0.02 0.00 0.00 54.97 53.54 1whd s GLU 86 Cb 0.00 0.05 0.03 0.00 0.10 0.00 0.00 34.13 34.31 1whd s GLU 86 CO 0.00 -0.19 0.08 0.96 0.02 0.00 0.00 175.26 176.13 1whd s ILE 87 N -3.89 -0.05 -0.50 -1.63 -4.36 -1.03 -4.74 121.20 105.00 1whd s ILE 87 Ca 0.21 0.17 -0.15 0.00 -0.26 0.00 0.00 60.65 60.62 1whd s ILE 87 Cb 0.07 -0.14 0.10 0.00 1.25 0.00 0.00 42.46 43.74 1whd s ILE 87 CO 0.01 0.07 0.44 -0.63 0.24 0.00 0.00 174.94 175.06 1whd s ILE 88 N 0.93 5.14 -0.12 8.37 -1.09 -1.26 -2.61 121.20 130.56 1whd s ILE 88 Ca -0.07 -1.31 -0.00 0.00 -2.23 0.00 0.00 60.65 57.03 1whd s ILE 88 Cb -0.10 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.57 1whd s ILE 88 CO -0.04 -0.72 -0.12 -1.48 -1.23 0.00 0.00 174.94 171.35 1whd s LEU 89 N 1.60 2.77 -0.20 2.97 2.34 -1.22 -0.14 118.68 126.80 1whd s LEU 89 Ca 0.04 -0.30 -0.04 0.00 0.06 0.00 0.00 54.13 53.89 1whd s LEU 89 Cb -0.27 -1.62 -0.01 0.00 -0.56 0.00 0.00 46.19 43.72 1whd s LEU 89 CO 0.04 0.18 -0.04 -0.22 -1.06 0.00 0.00 176.35 175.26 1whd s LEU 90 N 0.24 2.99 0.37 1.48 2.96 0.27 -1.83 118.68 125.16 1whd s LEU 90 Ca -0.08 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1whd s LEU 90 Cb -0.15 -1.75 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1whd s LEU 90 CO 0.05 0.03 0.03 0.68 -1.32 0.00 0.00 176.35 175.82 1whd s VAL 91 N 1.16 1.65 -0.16 1.68 -7.23 -1.12 -0.41 120.40 115.97 1whd s VAL 91 Ca 0.02 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 1whd s VAL 91 Cb -0.14 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1whd s VAL 91 CO -0.00 -0.01 0.04 0.86 -0.31 0.00 0.00 175.10 175.67 1whd s TRP 92 N -2.96 3.21 0.05 2.82 -0.11 -1.15 -2.56 118.94 118.25 1whd s TRP 92 Ca 0.35 0.04 0.05 0.00 1.22 0.00 0.00 56.10 57.76 1whd s TRP 92 Cb 0.09 -2.01 -0.02 0.00 -1.50 0.00 0.00 33.47 30.02 1whd s TRP 92 CO 0.17 0.19 -0.14 0.50 -4.62 0.00 0.00 176.95 173.05 1whd s ARG 93 N 0.15 0.85 -0.21 5.86 3.52 -1.18 -4.44 118.95 123.49 1whd s ARG 93 Ca 0.03 -0.83 -0.04 0.00 -0.13 0.00 0.00 55.73 54.77 1whd s ARG 93 Cb -0.13 -0.85 -0.01 0.00 -1.56 0.00 0.00 34.95 32.41 1whd s ARG 93 CO 0.01 0.20 -0.04 0.08 -0.81 0.00 0.00 175.30 174.73 1whd s VAL 94 N -1.05 3.40 -0.35 7.11 1.01 -1.26 -1.02 120.40 128.24 1whd s VAL 94 Ca -0.01 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1whd s VAL 94 Cb -0.09 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1whd s VAL 94 CO 0.02 0.43 0.44 -0.44 0.00 0.00 0.00 175.10 175.54 1whd s SER 95 N 1.37 6.25 0.00 3.32 0.01 -1.25 -4.90 113.70 118.51 1whd s SER 95 Ca 0.05 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1whd s SER 95 Cb -0.14 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1whd s SER 95 CO -0.02 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1whd n GLY 96 N 4.88 0.85 3.56 3.44 0.00 -1.26 -4.75 105.19 111.90 1whd n GLY 96 Ca -0.07 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.00 2.56 -0.81 1.61 0.04 -1.26 -4.92 135.00 130.22 1whd s PRO 97 Ca 0.00 -0.29 -0.22 0.00 0.04 0.00 0.00 61.00 60.53 1whd s PRO 97 Cb 0.00 -5.06 0.08 0.00 0.04 0.00 0.00 34.50 29.56 1whd s PRO 97 CO 0.00 -3.38 1.12 -1.12 0.04 0.00 0.00 177.00 173.66 1whd s SER 98 N 8.03 6.37 -0.11 6.66 0.01 -1.26 -4.96 113.70 128.43 1whd s SER 98 Ca 0.70 -1.35 -0.25 0.00 1.31 0.00 0.00 55.95 56.36 1whd s SER 98 Cb -0.07 -2.45 0.06 0.00 0.21 0.00 0.00 66.02 63.78 1whd s SER 98 CO -0.01 -1.37 0.60 -0.44 0.41 0.00 0.00 173.24 172.44 1whd s SER 99 N 3.85 -0.58 0.00 2.44 0.01 -1.26 -5.25 113.70 112.91 1whd s SER 99 Ca 0.30 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1whd s SER 99 Cb -0.10 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1whd s SER 99 CO 0.01 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.83