#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 5.22 -0.17 1.61 0.01 -1.26 -5.07 113.70 114.04 1whd s SER 2 Ca 0.00 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.34 1whd s SER 2 Cb 0.00 -0.04 -0.13 0.00 0.21 0.00 0.00 66.02 66.05 1whd s SER 2 CO 0.00 -1.09 0.13 0.28 0.41 0.00 0.00 173.24 172.97 1whd h SER 3 N 0.44 0.00 -3.17 2.44 0.02 -2.15 -3.51 113.55 107.61 1whd h SER 3 Ca -0.34 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1whd h SER 3 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1whd h SER 3 CO 0.45 1.13 0.00 0.61 -1.14 0.00 0.00 176.83 177.88 1whd n GLY 4 N 1.54 4.28 3.40 -3.77 0.00 -1.26 -5.16 105.19 104.22 1whd n GLY 4 Ca -0.19 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 1whd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whd s SER 5 N 0.00 2.16 -0.14 1.61 1.04 -1.26 -5.17 113.70 111.94 1whd s SER 5 Ca 0.00 -1.31 -0.31 0.00 0.48 0.00 0.00 55.95 54.82 1whd s SER 5 Cb 0.00 -0.05 0.13 0.00 0.10 0.00 0.00 66.02 66.20 1whd s SER 5 CO 0.00 -0.56 1.04 -0.55 0.98 0.00 0.00 173.24 174.16 1whd s SER 6 N -3.41 -0.30 0.03 7.02 0.15 -1.26 -5.15 113.70 110.77 1whd s SER 6 Ca 0.33 0.21 -0.23 0.00 0.70 0.00 0.00 55.95 56.96 1whd s SER 6 Cb 0.07 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1whd s SER 6 CO 0.13 -0.36 0.69 -0.83 1.20 0.00 0.00 173.24 174.07 1whd s GLY 7 N -1.59 2.71 -0.67 9.45 0.00 -1.26 -4.96 107.32 111.01 1whd s GLY 7 Ca 0.03 0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.66 1whd s GLY 7 CO -0.03 0.92 2.42 1.18 0.00 0.00 0.00 173.10 177.60 1whd n GLU 8 N 2.73 0.75 -4.01 2.90 -0.58 -1.26 -4.89 120.64 116.27 1whd n GLU 8 Ca -0.05 -0.43 -0.26 0.00 -0.42 0.00 0.00 57.16 56.01 1whd n GLU 8 Cb 0.51 -3.46 -0.04 0.00 -0.57 0.00 0.00 31.44 27.88 1whd n GLU 8 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1whd n GLY 9 N 6.40 3.36 3.85 0.62 0.00 -1.26 -5.13 105.19 113.04 1whd n GLY 9 Ca 0.44 -2.33 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 -3.50 6.70 0.12 1.61 -4.77 -1.26 -5.06 116.67 110.51 1whd s ASP 10 Ca 0.09 0.85 -0.31 0.00 -3.30 0.00 0.00 52.55 49.88 1whd s ASP 10 Cb -0.01 -2.20 -0.08 0.00 -1.09 0.00 0.00 42.92 39.54 1whd s ASP 10 CO 0.06 0.28 1.36 -2.16 0.70 0.00 0.00 175.17 175.41 1whd s PRO 11 N -1.36 4.34 -0.58 2.11 0.04 -1.26 -4.92 135.00 133.37 1whd s PRO 11 Ca 0.26 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.08 1whd s PRO 11 Cb -0.15 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 1whd s PRO 11 CO 0.14 -0.39 2.21 -1.21 0.04 0.00 0.00 177.00 177.78 1whd s GLU 12 N 0.95 2.24 0.00 4.56 2.02 -1.26 -4.87 118.70 122.35 1whd s GLU 12 Ca 0.63 0.96 -0.01 0.00 0.02 0.00 0.00 54.97 56.57 1whd s GLU 12 Cb -0.36 -4.57 -0.00 0.00 0.10 0.00 0.00 34.13 29.30 1whd s GLU 12 CO 0.31 -3.23 1.01 -0.91 0.02 0.00 0.00 175.26 172.46 1whd h ASN 13 N 16.97 -0.04 -4.39 -0.19 2.35 -1.93 -3.42 115.58 124.93 1whd h ASN 13 Ca -0.20 0.01 -0.49 0.00 -0.55 0.00 0.00 56.30 55.07 1whd h ASN 13 Cb 1.19 0.02 0.10 0.00 0.05 0.00 0.00 38.32 39.68 1whd h ASN 13 CO 1.17 -0.01 0.37 -0.83 -1.65 0.00 0.00 177.43 176.48 1whd s GLY 14 N -1.03 1.62 0.04 2.83 0.00 -1.26 -4.40 107.32 105.12 1whd s GLY 14 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.40 1whd s GLY 14 CO 0.01 0.09 -0.06 1.85 0.00 0.00 0.00 173.10 175.00 1whd s GLU 15 N -5.29 0.47 -0.31 2.90 2.56 -0.36 -4.96 118.70 113.72 1whd s GLU 15 Ca 0.60 -0.76 -0.29 0.00 0.00 0.00 0.00 54.97 54.52 1whd s GLU 15 Cb -0.13 -0.13 -0.01 0.00 2.00 0.00 0.00 34.13 35.87 1whd s GLU 15 CO 0.53 0.00 1.46 0.15 -0.56 0.00 0.00 175.26 176.85 1whd s LYS 16 N -1.77 3.74 0.18 4.30 -0.14 -1.26 -3.15 119.74 121.64 1whd s LYS 16 Ca -0.10 1.30 0.10 0.00 -1.36 0.00 0.00 55.97 55.91 1whd s LYS 16 Cb -0.08 -3.99 -0.04 0.00 -1.68 0.00 0.00 37.83 32.03 1whd s LYS 16 CO -0.01 -1.36 -0.22 -0.51 -0.76 0.00 0.00 175.35 172.49 1whd s LEU 17 N 5.12 2.42 0.02 3.17 1.43 -0.88 -5.02 118.68 124.95 1whd s LEU 17 Ca 0.64 -0.85 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1whd s LEU 17 Cb -0.19 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1whd s LEU 17 CO 0.28 0.08 -0.18 -1.58 0.23 0.00 0.00 176.35 175.18 1whd s GLN 18 N -2.65 1.30 -0.07 1.70 0.74 -1.26 -1.31 119.66 118.11 1whd s GLN 18 Ca 0.18 -0.78 0.02 0.00 0.05 0.00 0.00 55.36 54.84 1whd s GLN 18 Cb -0.07 -1.33 0.01 0.00 1.10 0.00 0.00 33.01 32.72 1whd s GLN 18 CO 0.09 0.35 -0.13 0.42 -0.55 0.00 0.00 175.29 175.46 1whd s ILE 19 N -0.66 1.20 -0.31 -2.34 -1.09 -0.86 -5.02 121.20 112.13 1whd s ILE 19 Ca 0.06 -0.52 -0.11 0.00 -2.23 0.00 0.00 60.65 57.85 1whd s ILE 19 Cb -0.08 -1.09 -0.02 0.00 -1.58 0.00 0.00 42.46 39.69 1whd s ILE 19 CO 0.01 0.37 0.18 -0.89 -1.23 0.00 0.00 174.94 173.38 1whd s THR 20 N 0.60 4.94 -0.17 2.92 2.01 -1.26 -3.13 115.64 121.55 1whd s THR 20 Ca -0.14 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 1whd s THR 20 Cb -0.16 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1whd s THR 20 CO 0.04 0.11 0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 1whd s ILE 21 N 1.68 5.45 -0.33 1.82 1.01 -1.08 -4.87 121.20 124.88 1whd s ILE 21 Ca 0.06 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1whd s ILE 21 Cb -0.17 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 38.93 1whd s ILE 21 CO 0.08 0.52 0.05 -0.60 0.00 0.00 0.00 174.94 174.99 1whd s ARG 22 N -0.22 2.34 -0.25 2.79 3.52 -1.26 -2.58 118.95 123.27 1whd s ARG 22 Ca 0.11 -1.38 -0.43 0.00 -0.13 0.00 0.00 55.73 53.90 1whd s ARG 22 Cb -0.11 -3.29 -0.19 0.00 -1.56 0.00 0.00 34.95 29.79 1whd s ARG 22 CO 0.01 -0.72 1.41 -2.13 -0.81 0.00 0.00 175.30 173.05 1whd n ARG 23 N 4.63 0.22 0.00 5.12 0.63 -0.96 -4.58 116.66 121.72 1whd n ARG 23 Ca -0.10 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1whd n ARG 23 Cb 0.43 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.73 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 3.03 0.35 3.18 5.14 0.00 -1.20 -4.89 105.19 110.79 1whd n GLY 24 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 3.09 -1.56 1.61 3.01 -1.26 -4.74 119.74 119.89 1whd s LYS 25 Ca 0.00 -2.69 -0.05 0.00 -1.01 0.00 0.00 55.97 52.21 1whd s LYS 25 Cb 0.00 -4.02 0.05 0.00 -1.01 0.00 0.00 37.83 32.85 1whd s LYS 25 CO 0.00 -1.23 0.30 -3.47 0.51 0.00 0.00 175.35 171.46 1whd n ASP 26 N 3.36 -0.30 0.00 2.83 -0.08 -1.26 -4.89 116.55 116.21 1whd n ASP 26 Ca 0.13 -1.15 0.00 0.00 -1.51 0.00 0.00 54.79 52.26 1whd n ASP 26 Cb 0.40 -2.21 0.00 0.00 2.34 0.00 0.00 41.12 41.65 1whd n ASP 26 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1whd n GLY 27 N -2.07 0.88 0.16 0.27 0.00 -1.26 -5.04 105.19 98.13 1whd n GLY 27 Ca -0.22 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 1whd n GLY 27 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1whd h PHE 28 N 0.00 0.08 0.00 1.61 0.04 -1.93 -3.18 116.94 113.56 1whd h PHE 28 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1whd h PHE 28 Cb 0.00 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1whd h PHE 28 CO 0.00 -0.02 0.00 0.41 -0.60 0.00 0.00 178.31 178.10 1whd n GLY 29 N -1.25 3.29 3.86 -1.45 0.00 -1.26 -4.08 105.19 104.30 1whd n GLY 29 Ca 0.02 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.04 3.49 -0.06 1.61 -0.71 -1.26 -2.45 117.98 118.56 1whd s PHE 30 Ca 0.00 0.93 0.06 0.00 -1.04 0.00 0.00 56.93 56.88 1whd s PHE 30 Cb 0.00 -2.29 -0.01 0.00 -1.21 0.00 0.00 43.02 39.51 1whd s PHE 30 CO 0.00 0.33 -0.24 0.95 -1.34 0.00 0.00 175.22 174.92 1whd s THR 31 N -1.69 2.17 -0.04 -4.49 -4.23 -0.16 -4.99 115.64 102.21 1whd s THR 31 Ca 0.44 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1whd s THR 31 Cb -0.12 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 71.96 1whd s THR 31 CO 0.20 0.57 0.08 0.27 -0.54 0.00 0.00 174.62 175.20 1whd s ILE 32 N -0.20 -0.12 -0.18 2.99 -5.25 -1.26 0.16 121.20 117.34 1whd s ILE 32 Ca -0.02 0.35 -0.07 0.00 -0.99 0.00 0.00 60.65 59.92 1whd s ILE 32 Cb -0.13 -0.16 0.08 0.00 2.95 0.00 0.00 42.46 45.19 1whd s ILE 32 CO 0.03 0.15 0.39 0.00 -1.79 0.00 0.00 174.94 173.72 1whd s ASP 35 N -3.19 4.18 -0.27 0.00 1.01 -1.26 -1.04 116.67 116.09 1whd s ASP 35 Ca 0.23 -0.29 -0.26 0.00 0.71 0.00 0.00 52.55 52.94 1whd s ASP 35 Cb -0.01 -1.65 -0.11 0.00 1.01 0.00 0.00 42.92 42.16 1whd s ASP 35 CO -0.00 0.16 0.88 -1.54 0.21 0.00 0.00 175.17 174.88 1whd n SER 36 N 3.60 0.65 -4.77 0.27 3.41 -1.01 -4.00 113.62 111.77 1whd n SER 36 Ca -0.18 0.64 -0.36 0.00 -0.26 0.00 0.00 58.87 58.71 1whd n SER 36 Cb 0.53 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.69 3.52 0.28 4.33 0.04 -1.26 -4.96 135.00 138.64 1whd s PRO 37 Ca 0.58 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 1whd s PRO 37 Cb -0.82 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 1whd s PRO 37 CO 0.45 -0.73 0.72 0.08 0.04 0.00 0.00 177.00 177.56 1whd s VAL 38 N -1.68 4.65 0.13 -0.36 1.01 -1.26 -4.92 120.40 117.97 1whd s VAL 38 Ca 0.69 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.73 1whd s VAL 38 Cb -0.26 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1whd s VAL 38 CO 0.30 -0.04 -0.03 -0.13 0.00 0.00 0.00 175.10 175.20 1whd s ARG 39 N -2.62 0.95 0.29 2.72 1.81 -1.26 -1.24 118.95 119.60 1whd s ARG 39 Ca 0.50 -1.42 -0.24 0.00 -1.72 0.00 0.00 55.73 52.84 1whd s ARG 39 Cb -0.12 -0.19 -0.09 0.00 -0.45 0.00 0.00 34.95 34.09 1whd s ARG 39 CO 0.19 -0.08 0.88 0.08 -0.68 0.00 0.00 175.30 175.68 1whd s VAL 40 N -3.67 4.31 -0.17 3.52 1.01 -0.97 -3.11 120.40 121.33 1whd s VAL 40 Ca 0.18 1.67 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 1whd s VAL 40 Cb 0.06 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 1whd s VAL 40 CO -0.01 0.17 0.00 -0.61 0.00 0.00 0.00 175.10 174.66 1whd h GLN 41 N 3.27 0.00 -1.50 2.72 4.15 -0.59 -3.34 115.11 119.82 1whd h GLN 41 Ca -0.47 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.18 1whd h GLN 41 Cb 1.19 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.69 1whd h GLN 41 CO 0.65 0.47 0.79 0.00 -1.93 0.00 0.00 178.83 178.80 1whd s ALA 42 N -2.56 -2.05 -0.15 3.38 0.00 -0.99 -4.75 121.76 114.65 1whd s ALA 42 Ca -0.21 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1whd s ALA 42 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1whd s ALA 42 CO 0.39 -0.56 -0.08 0.08 0.00 0.00 0.00 175.76 175.59 1whd s VAL 43 N -2.29 3.49 0.43 0.00 1.01 -1.26 -0.99 120.40 120.79 1whd s VAL 43 Ca 0.08 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1whd s VAL 43 Cb -0.01 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.78 1whd s VAL 43 CO -0.05 0.50 1.14 -0.62 0.00 0.00 0.00 175.10 176.07 1whd s ASP 44 N 0.43 6.42 -0.42 3.32 2.15 -1.02 -4.99 116.67 122.56 1whd s ASP 44 Ca -0.07 2.25 -0.23 0.00 0.43 0.00 0.00 52.55 54.93 1whd s ASP 44 Cb -0.15 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1whd s ASP 44 CO 0.04 -0.74 0.79 -0.94 -0.17 0.00 0.00 175.17 174.15 1whd s SER 45 N -1.35 6.46 0.00 -0.34 1.04 -1.26 -3.85 113.70 114.40 1whd s SER 45 Ca 0.60 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1whd s SER 45 Cb -0.27 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1whd s SER 45 CO 0.34 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1whd n GLY 46 N 4.83 1.91 3.69 7.32 0.00 -1.26 -5.13 105.19 116.55 1whd n GLY 46 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 2.69 0.52 -0.02 0.00 -1.25 -5.03 107.32 102.23 1whd s GLY 47 Ca 0.00 -1.54 0.33 0.00 0.00 0.00 0.00 44.72 43.51 1whd s GLY 47 CO 0.00 -2.12 1.97 -0.56 0.00 0.00 0.00 173.10 172.39 1whd h PRO 48 N 1.56 0.00 0.16 2.90 0.13 -1.81 -2.86 132.00 132.08 1whd h PRO 48 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1whd h PRO 48 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1whd h PRO 48 CO 0.77 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.47 1whd h ALA 49 N 2.03 -0.21 0.56 -0.56 0.00 -1.88 -2.87 119.26 116.33 1whd h ALA 49 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1whd h ALA 49 Cb 0.47 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1whd h ALA 49 CO 0.00 -0.33 -0.27 1.49 0.00 0.00 0.00 179.25 180.14 1whd h GLU 50 N -0.79 -0.72 -0.87 0.00 4.81 -1.77 -1.54 114.58 113.70 1whd h GLU 50 Ca -0.02 0.05 0.22 0.00 -0.13 0.00 0.00 59.36 59.48 1whd h GLU 50 Cb 0.53 0.16 -0.15 0.00 0.63 0.00 0.00 28.75 29.92 1whd h GLU 50 CO 0.04 -0.43 0.09 0.00 -0.73 0.00 0.00 179.01 177.98 1whd h ARG 51 N -0.91 0.10 -0.26 1.92 3.08 -1.65 1.02 114.38 117.68 1whd h ARG 51 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1whd h ARG 51 Cb 0.63 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1whd h ARG 51 CO 0.13 0.07 0.14 0.00 -1.07 0.00 0.00 179.97 179.23 1whd h ALA 52 N 1.82 1.76 0.00 0.04 0.00 -1.40 -3.46 119.26 118.03 1whd h ALA 52 Ca 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1whd h ALA 52 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1whd h ALA 52 CO -0.75 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1whd n GLY 53 N -1.40 1.09 3.69 0.00 0.00 0.35 -4.96 105.19 103.95 1whd n GLY 53 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 4.17 -0.12 0.99 0.20 -0.60 -4.99 118.68 118.33 1whd s LEU 54 Ca 0.00 0.24 0.02 0.00 0.69 0.00 0.00 54.13 55.08 1whd s LEU 54 Cb 0.00 -2.18 -0.00 0.00 -0.43 0.00 0.00 46.19 43.58 1whd s LEU 54 CO 0.00 0.09 -0.20 -1.58 -0.29 0.00 0.00 176.35 174.37 1whd s GLN 55 N 0.79 3.14 1.17 1.98 0.74 -1.26 -4.45 119.66 121.78 1whd s GLN 55 Ca 0.10 -0.82 -0.17 0.00 0.05 0.00 0.00 55.36 54.52 1whd s GLN 55 Cb -0.13 -2.43 0.22 0.00 1.10 0.00 0.00 33.01 31.78 1whd s GLN 55 CO 0.03 0.15 0.45 0.00 -0.55 0.00 0.00 175.29 175.37 1whd n GLN 56 N 3.64 -2.83 -3.25 1.67 10.64 -1.26 -4.16 117.38 121.83 1whd n GLN 56 Ca -0.19 -0.83 -0.15 0.00 -1.83 0.00 0.00 57.00 54.00 1whd n GLN 56 Cb 0.53 -1.70 0.08 0.00 -0.86 0.00 0.00 30.24 28.28 1whd n GLN 56 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1whd n LEU 57 N -2.88 -3.73 -4.06 2.61 4.77 -1.25 -5.01 117.00 107.45 1whd n LEU 57 Ca 0.06 -0.53 -0.28 0.00 -0.03 0.00 0.00 56.01 55.23 1whd n LEU 57 Cb 0.50 -2.77 -0.17 0.00 -2.33 0.00 0.00 43.42 38.65 1whd n LEU 57 CO 0.38 0.35 -0.49 -1.81 -1.33 0.00 0.00 177.39 174.48 1whd s ASP 58 N -4.12 2.31 -0.27 -1.43 1.11 -1.26 -4.93 116.67 108.09 1whd s ASP 58 Ca 0.04 -0.40 -0.29 0.00 0.18 0.00 0.00 52.55 52.08 1whd s ASP 58 Cb -0.02 -1.04 0.01 0.00 1.07 0.00 0.00 42.92 42.94 1whd s ASP 58 CO 0.63 0.03 1.17 -0.89 1.18 0.00 0.00 175.17 177.29 1whd s THR 59 N 0.88 4.40 -0.02 -1.27 2.01 -1.26 -2.28 115.64 118.09 1whd s THR 59 Ca -0.09 1.63 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 1whd s THR 59 Cb -0.15 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 1whd s THR 59 CO 0.00 -0.35 1.72 -0.69 -0.69 0.00 0.00 174.62 174.61 1whd s VAL 60 N 3.73 3.42 -0.09 3.82 1.01 -0.37 -2.65 120.40 129.27 1whd s VAL 60 Ca 0.50 0.54 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 1whd s VAL 60 Cb -0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1whd s VAL 60 CO 0.16 -0.04 -0.13 0.18 0.00 0.00 0.00 175.10 175.26 1whd n LEU 61 N 7.10 1.03 -3.90 3.92 4.77 0.56 -4.46 117.00 126.02 1whd n LEU 61 Ca 0.18 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1whd n LEU 61 Cb 0.42 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1whd n LEU 61 CO 0.64 -0.45 -0.23 0.00 -1.33 0.00 0.00 177.39 176.02 1whd s GLN 62 N -1.81 0.44 0.01 3.23 -2.07 -1.22 -2.56 119.66 115.69 1whd s GLN 62 Ca -0.11 -0.47 0.07 0.00 -1.82 0.00 0.00 55.36 53.03 1whd s GLN 62 Cb 0.01 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1whd s GLN 62 CO 0.16 -0.10 -0.21 -1.17 -1.32 0.00 0.00 175.29 172.65 1whd s LEU 63 N -1.43 2.10 -1.80 2.60 2.96 0.88 -0.81 118.68 123.18 1whd s LEU 63 Ca -0.15 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.12 1whd s LEU 63 Cb -0.08 -1.04 0.19 0.00 0.50 0.00 0.00 46.19 45.76 1whd s LEU 63 CO 0.01 0.22 0.59 0.59 -1.32 0.00 0.00 176.35 176.43 1whd n ASN 64 N 2.24 -1.91 -2.38 3.68 5.03 -1.06 0.19 115.26 121.05 1whd n ASN 64 Ca -0.16 -1.18 -0.17 0.00 0.87 0.00 0.00 54.58 53.93 1whd n ASN 64 Cb 0.53 -1.94 0.03 0.00 -1.02 0.00 0.00 39.78 37.38 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 -4.20 -3.82 -4.34 3.52 1.02 -1.26 -5.01 120.64 106.55 1whd n GLU 65 Ca 0.05 0.70 -0.18 0.00 -0.02 0.00 0.00 57.16 57.71 1whd n GLU 65 Cb 0.49 -5.13 -0.14 0.00 -0.02 0.00 0.00 31.44 26.64 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 -5.43 0.73 -0.36 3.49 0.52 0.50 -5.11 118.95 113.30 1whd s ARG 66 Ca 0.24 -0.41 -0.28 0.00 -0.52 0.00 0.00 55.73 54.75 1whd s ARG 66 Cb -0.10 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.66 1whd s ARG 66 CO 0.29 0.19 1.70 -1.25 0.02 0.00 0.00 175.30 176.25 1whd s PRO 67 N -0.44 3.38 -0.00 3.54 0.04 -1.26 -0.09 135.00 140.17 1whd s PRO 67 Ca 0.02 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.41 1whd s PRO 67 Cb -0.05 -4.16 0.19 0.00 0.04 0.00 0.00 34.50 30.53 1whd s PRO 67 CO -0.00 -1.80 1.16 1.33 0.04 0.00 0.00 177.00 177.72 1whd n VAL 68 N 7.32 1.01 0.06 -0.36 0.24 -1.11 -4.60 118.33 120.89 1whd n VAL 68 Ca 0.21 -1.01 0.04 0.00 -2.04 0.00 0.00 64.34 61.54 1whd n VAL 68 Cb 0.47 0.49 0.21 0.00 -1.47 0.00 0.00 33.84 33.54 1whd n VAL 68 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1whd n GLU 69 N 0.10 0.05 -0.17 7.34 4.71 -1.06 -0.57 120.64 131.04 1whd n GLU 69 Ca 0.07 0.55 0.08 0.00 -0.01 0.00 0.00 57.16 57.85 1whd n GLU 69 Cb 0.36 -1.66 0.12 0.00 -1.01 0.00 0.00 31.44 29.25 1whd n GLU 69 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1whd n HIS 70 N -1.76 0.00 -3.79 -0.32 -0.00 -1.26 -4.10 115.22 103.99 1whd n HIS 70 Ca -0.00 -0.83 -0.32 0.00 -0.00 0.00 0.00 57.72 56.57 1whd n HIS 70 Cb 0.01 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.99 29.82 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1whd s TRP 71 N -2.35 3.52 0.28 1.57 0.52 0.26 -4.81 118.94 117.94 1whd s TRP 71 Ca 0.26 0.46 0.04 0.00 0.02 0.00 0.00 56.10 56.88 1whd s TRP 71 Cb 0.23 -1.92 0.05 0.00 -1.15 0.00 0.00 33.47 30.68 1whd s TRP 71 CO 0.02 0.55 0.39 1.63 0.02 0.00 0.00 176.95 179.56 1whd n LYS 72 N 0.52 0.73 -0.05 4.98 5.02 -1.26 -2.39 118.16 125.71 1whd n LYS 72 Ca -0.06 -1.44 -0.11 0.00 -2.02 0.00 0.00 58.31 54.67 1whd n LYS 72 Cb 0.52 -0.14 -0.05 0.00 -0.02 0.00 0.00 35.03 35.33 1whd n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1whd h VAL 74 N 0.10 1.30 -0.30 0.00 -1.51 -1.96 0.77 116.25 114.64 1whd h VAL 74 Ca 0.06 -1.33 -0.10 0.00 -1.23 0.00 0.00 66.70 64.09 1whd h VAL 74 Cb 0.25 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1whd h VAL 74 CO -0.00 0.43 -0.25 -0.33 -1.23 0.00 0.00 177.57 176.19 1whd h GLU 75 N 0.41 0.59 0.08 5.19 4.39 -1.93 -2.91 114.58 120.40 1whd h GLU 75 Ca 0.06 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1whd h GLU 75 Cb 0.74 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1whd h GLU 75 CO 0.05 0.79 -0.04 1.25 -1.16 0.00 0.00 179.01 179.90 1whd h LEU 76 N 0.52 -0.09 -1.67 1.33 5.85 -0.19 -3.23 115.31 117.83 1whd h LEU 76 Ca 0.07 -0.51 0.33 0.00 0.84 0.00 0.00 57.88 58.62 1whd h LEU 76 Cb 0.70 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 1whd h LEU 76 CO 0.05 0.54 0.80 0.00 -0.34 0.00 0.00 178.44 179.49 1whd h ALA 77 N -0.08 2.74 -1.00 1.25 0.00 -0.87 0.32 119.26 121.63 1whd h ALA 77 Ca -0.01 0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.17 1whd h ALA 77 Cb 0.60 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1whd h ALA 77 CO 0.02 -1.15 0.67 1.25 0.00 0.00 0.00 179.25 180.03 1whd h HIS 78 N 0.17 0.46 0.00 0.00 -0.00 -1.53 -2.03 115.15 112.22 1whd h HIS 78 Ca 0.62 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 61.01 1whd h HIS 78 Cb 2.06 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 29.33 1whd h HIS 78 CO -0.00 0.07 -0.01 0.93 -0.00 0.00 0.00 177.93 178.92 1whd h GLU 79 N 0.31 0.00 -0.58 5.26 4.39 -0.52 -2.74 114.58 120.69 1whd h GLU 79 Ca 0.53 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.31 1whd h GLU 79 Cb 1.51 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.08 1whd h GLU 79 CO -0.19 0.00 -0.27 -0.89 -1.16 0.00 0.00 179.01 176.50 1whd n ILE 80 N -2.55 -0.34 -0.24 3.13 2.08 -1.13 0.25 119.36 120.58 1whd n ILE 80 Ca -0.00 1.37 -0.08 0.00 0.56 0.00 0.00 62.75 64.60 1whd n ILE 80 Cb 0.00 -1.77 0.05 0.00 -0.75 0.00 0.00 39.64 37.17 1whd n ILE 80 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 1whd h ARG 81 N 0.00 1.11 -0.89 0.38 2.47 -1.55 -3.12 114.38 112.78 1whd h ARG 81 Ca 0.16 -0.30 0.17 0.00 -1.26 0.00 0.00 59.98 58.75 1whd h ARG 81 Cb 0.30 -0.13 -0.16 0.00 -1.65 0.00 0.00 29.97 28.33 1whd h ARG 81 CO -0.56 1.02 -0.26 0.45 0.56 0.00 0.00 179.97 181.18 1whd n SER 82 N -4.21 -0.39 -4.18 7.04 2.88 0.71 -3.25 113.62 112.21 1whd n SER 82 Ca 0.04 1.54 -0.39 0.00 -1.33 0.00 0.00 58.87 58.74 1whd n SER 82 Cb 0.30 -0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 63.22 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 8.30 0.85 0.00 0.00 0.13 -1.75 -3.34 132.00 136.17 1whd h PRO 84 Ca -0.18 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1whd h PRO 84 Cb 1.06 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1whd h PRO 84 CO 0.79 1.09 0.00 0.45 -0.23 0.00 0.00 178.00 180.10 1whd n SER 85 N -4.05 0.00 -3.75 1.44 2.88 -1.26 -4.20 113.62 104.68 1whd n SER 85 Ca -0.02 0.96 -0.12 0.00 -1.33 0.00 0.00 58.87 58.36 1whd n SER 85 Cb 0.55 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.46 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1whd s GLU 86 N -2.86 0.77 0.01 -1.46 -6.30 -1.25 -2.25 118.70 105.36 1whd s GLU 86 Ca 0.00 -0.40 -0.02 0.00 -2.50 0.00 0.00 54.97 52.06 1whd s GLU 86 Cb 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 34.13 34.45 1whd s GLU 86 CO 0.00 -0.24 0.01 0.96 0.02 0.00 0.00 175.26 176.01 1whd s ILE 87 N -2.16 0.09 -0.10 -3.70 -5.25 -1.07 -4.79 121.20 104.22 1whd s ILE 87 Ca -0.08 -0.77 0.00 0.00 -0.99 0.00 0.00 60.65 58.82 1whd s ILE 87 Cb -0.02 -0.27 -0.02 0.00 2.95 0.00 0.00 42.46 45.09 1whd s ILE 87 CO -0.01 -0.42 -0.10 -0.63 -1.79 0.00 0.00 174.94 171.99 1whd s ILE 88 N -1.29 3.34 -0.02 8.37 1.01 -1.26 -2.65 121.20 128.70 1whd s ILE 88 Ca -0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1whd s ILE 88 Cb -0.08 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1whd s ILE 88 CO -0.00 0.55 0.04 -1.48 0.00 0.00 0.00 174.94 174.05 1whd s LEU 89 N -0.14 1.39 -0.06 2.97 2.34 -1.18 -2.56 118.68 121.43 1whd s LEU 89 Ca 0.00 0.08 -0.01 0.00 0.06 0.00 0.00 54.13 54.26 1whd s LEU 89 Cb -0.13 0.06 -0.03 0.00 -0.56 0.00 0.00 46.19 45.52 1whd s LEU 89 CO 0.03 -0.08 0.02 -0.22 -1.06 0.00 0.00 176.35 175.04 1whd s LEU 90 N 0.63 3.64 0.19 1.48 2.96 0.01 -2.02 118.68 125.56 1whd s LEU 90 Ca -0.05 0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1whd s LEU 90 Cb -0.07 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1whd s LEU 90 CO -0.02 0.35 0.20 0.68 -1.32 0.00 0.00 176.35 176.24 1whd s VAL 91 N -0.96 0.02 -0.20 1.68 -7.23 -0.42 -0.33 120.40 112.96 1whd s VAL 91 Ca 0.16 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1whd s VAL 91 Cb -0.11 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1whd s VAL 91 CO 0.05 -0.11 0.01 0.86 -0.31 0.00 0.00 175.10 175.60 1whd s TRP 92 N -4.09 3.06 0.11 2.82 -0.11 -1.09 -2.08 118.94 117.57 1whd s TRP 92 Ca 0.31 -0.39 0.10 0.00 1.22 0.00 0.00 56.10 57.35 1whd s TRP 92 Cb 0.05 -2.09 -0.04 0.00 -1.50 0.00 0.00 33.47 29.89 1whd s TRP 92 CO 0.08 -0.20 -0.26 0.50 -4.62 0.00 0.00 176.95 172.45 1whd s ARG 93 N 0.97 1.46 -0.30 5.86 3.52 -1.19 -4.23 118.95 125.05 1whd s ARG 93 Ca 0.02 -1.29 0.03 0.00 -0.13 0.00 0.00 55.73 54.36 1whd s ARG 93 Cb -0.14 -1.88 0.07 0.00 -1.56 0.00 0.00 34.95 31.45 1whd s ARG 93 CO 0.02 0.45 -0.04 0.08 -0.81 0.00 0.00 175.30 175.01 1whd s VAL 94 N -1.01 2.31 -0.11 7.11 1.01 -1.26 -1.22 120.40 127.23 1whd s VAL 94 Ca 0.13 -1.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.15 1whd s VAL 94 Cb -0.10 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1whd s VAL 94 CO 0.05 -0.26 0.17 -0.55 0.00 0.00 0.00 175.10 174.52 1whd s SER 95 N 1.07 6.44 0.00 3.32 0.15 -1.26 -4.92 113.70 118.49 1whd s SER 95 Ca -0.01 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1whd s SER 95 Cb -0.20 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1whd s SER 95 CO -0.06 0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1whd n GLY 96 N 1.97 1.14 0.00 9.45 0.00 -1.26 -4.71 105.19 111.78 1whd n GLY 96 Ca -0.19 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.66 1whd n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1whd n PRO 97 N -1.07 0.49 -1.09 1.61 -0.04 -1.26 -4.88 135.00 128.75 1whd n PRO 97 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1whd n PRO 97 Cb 0.00 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1whd n PRO 97 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1whd n SER 98 N -0.88 -0.08 -4.72 3.54 3.41 -1.26 -4.88 113.62 108.76 1whd n SER 98 Ca 0.09 0.85 -0.37 0.00 -0.26 0.00 0.00 58.87 59.17 1whd n SER 98 Cb 0.04 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.25 1whd n SER 98 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1whd s SER 99 N -0.05 6.55 0.00 4.04 1.04 -1.26 -5.20 113.70 118.81 1whd s SER 99 Ca 0.65 0.64 0.21 0.00 0.48 0.00 0.00 55.95 57.93 1whd s SER 99 Cb -0.91 -2.23 1.23 0.00 0.10 0.00 0.00 66.02 64.21 1whd s SER 99 CO 0.42 0.05 1.62 0.61 0.98 0.00 0.00 173.24 176.91