#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 7.11 -0.11 1.61 0.15 -1.26 -5.00 113.70 116.20 1whd s SER 2 Ca 0.00 1.56 -0.12 0.00 0.70 0.00 0.00 55.95 58.09 1whd s SER 2 Cb 0.00 -2.48 -0.26 0.00 -1.71 0.00 0.00 66.02 61.57 1whd s SER 2 CO 0.00 -0.05 0.45 0.77 1.20 0.00 0.00 173.24 175.60 1whd h SER 3 N 3.11 0.39 0.00 5.45 4.64 -2.13 -3.48 113.55 121.53 1whd h SER 3 Ca -0.48 -0.87 0.00 0.00 -0.47 0.00 0.00 61.79 59.97 1whd h SER 3 Cb 1.19 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1whd h SER 3 CO 0.65 1.74 0.00 0.61 -0.87 0.00 0.00 176.83 178.96 1whd n GLY 4 N 1.83 1.19 4.47 -0.77 0.00 -1.26 -4.76 105.19 105.89 1whd n GLY 4 Ca -0.29 0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1whd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1whd n SER 5 N 2.76 -1.18 -4.62 1.61 3.41 -1.26 -4.87 113.62 109.46 1whd n SER 5 Ca 0.00 -1.24 -0.39 0.00 -0.26 0.00 0.00 58.87 56.98 1whd n SER 5 Cb 0.00 -1.67 -0.09 0.00 -0.26 0.00 0.00 64.21 62.19 1whd n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1whd s SER 6 N -3.55 6.29 0.00 4.04 1.04 -1.26 -5.02 113.70 115.24 1whd s SER 6 Ca 0.61 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1whd s SER 6 Cb -0.36 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1whd s SER 6 CO 1.02 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.68 1whd n GLY 7 N 4.54 1.95 2.91 7.32 0.00 -1.26 -5.15 105.19 115.50 1whd n GLY 7 Ca -0.08 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.85 1.31 -0.63 1.61 2.02 -1.26 -5.07 118.70 114.83 1whd s GLU 8 Ca 0.00 -0.21 -0.40 0.00 0.02 0.00 0.00 54.97 54.38 1whd s GLU 8 Cb 0.00 -1.32 -0.20 0.00 0.10 0.00 0.00 34.13 32.72 1whd s GLU 8 CO 0.00 -0.17 2.26 0.41 0.02 0.00 0.00 175.26 177.78 1whd n GLY 9 N 4.54 -0.24 3.61 -1.39 0.00 -1.26 -4.85 105.19 105.60 1whd n GLY 9 Ca -0.16 1.11 -0.42 0.00 0.00 0.00 0.00 46.02 46.55 1whd n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1whd s ASP 10 N 6.73 6.66 1.10 1.61 1.01 -1.26 -5.05 116.67 127.47 1whd s ASP 10 Ca 1.22 0.64 -0.16 0.00 0.71 0.00 0.00 52.55 54.97 1whd s ASP 10 Cb -1.41 -2.41 0.24 0.00 1.01 0.00 0.00 42.92 40.35 1whd s ASP 10 CO 0.60 -0.64 1.10 -2.16 0.21 0.00 0.00 175.17 174.29 1whd s PRO 11 N 3.00 -0.44 -0.62 8.23 0.04 -1.26 -5.00 135.00 138.95 1whd s PRO 11 Ca 0.33 0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.46 1whd s PRO 11 Cb -0.14 -1.66 0.16 0.00 0.04 0.00 0.00 34.50 32.90 1whd s PRO 11 CO 0.13 -3.25 0.55 -1.83 0.04 0.00 0.00 177.00 172.64 1whd s GLU 12 N -5.18 3.04 -1.69 4.56 -1.05 -1.26 -4.52 118.70 112.60 1whd s GLU 12 Ca 0.68 -2.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 1whd s GLU 12 Cb -0.14 -4.21 0.00 0.00 -0.44 0.00 0.00 34.13 29.34 1whd s GLU 12 CO 0.57 -1.27 0.00 -1.71 0.95 0.00 0.00 175.26 173.79 1whd n ASN 13 N 4.62 -4.89 0.00 0.83 5.15 -1.26 -4.71 115.26 115.00 1whd n ASN 13 Ca -0.02 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1whd n ASN 13 Cb 0.42 -4.24 0.00 0.00 -0.53 0.00 0.00 39.78 35.43 1whd n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1whd n GLY 14 N -0.63 1.94 3.23 8.20 0.00 -1.26 -4.52 105.19 112.15 1whd n GLY 14 Ca -0.19 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.60 1whd n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1whd s GLU 15 N -1.54 1.07 -0.21 1.61 1.03 0.69 -4.79 118.70 116.55 1whd s GLU 15 Ca 0.00 -1.51 -0.20 0.00 0.03 0.00 0.00 54.97 53.29 1whd s GLU 15 Cb 0.00 -0.23 -0.02 0.00 -0.80 0.00 0.00 34.13 33.08 1whd s GLU 15 CO 0.00 -0.13 0.61 0.15 -1.33 0.00 0.00 175.26 174.56 1whd s LYS 16 N -3.91 4.18 -0.03 -4.83 1.02 -1.26 -2.07 119.74 112.84 1whd s LYS 16 Ca 0.23 0.56 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1whd s LYS 16 Cb 0.06 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1whd s LYS 16 CO 0.03 -0.27 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.61 1whd s LEU 17 N 2.01 1.69 0.06 3.17 1.43 -1.02 -5.02 118.68 121.00 1whd s LEU 17 Ca 0.27 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1whd s LEU 17 Cb -0.16 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 1whd s LEU 17 CO 0.10 0.03 0.21 -1.58 0.23 0.00 0.00 176.35 175.34 1whd s GLN 18 N 0.35 3.43 -0.13 1.70 -0.44 -1.26 -2.35 119.66 120.95 1whd s GLN 18 Ca -0.05 -0.45 -0.03 0.00 -2.50 0.00 0.00 55.36 52.33 1whd s GLN 18 Cb -0.10 -3.03 0.05 0.00 -1.64 0.00 0.00 33.01 28.29 1whd s GLN 18 CO 0.00 0.61 0.04 0.42 0.50 0.00 0.00 175.29 176.86 1whd s ILE 19 N -1.51 0.23 -0.34 -2.34 -1.09 -0.86 -5.00 121.20 110.29 1whd s ILE 19 Ca 0.35 -0.12 -0.25 0.00 -2.23 0.00 0.00 60.65 58.40 1whd s ILE 19 Cb -0.13 -0.65 0.01 0.00 -1.58 0.00 0.00 42.46 40.12 1whd s ILE 19 CO 0.28 -0.04 0.88 -0.89 -1.23 0.00 0.00 174.94 173.95 1whd s THR 20 N 2.01 4.66 -0.18 2.92 2.01 -1.26 -3.67 115.64 122.12 1whd s THR 20 Ca 0.02 1.21 -0.08 0.00 0.31 0.00 0.00 61.69 63.16 1whd s THR 20 Cb -0.15 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1whd s THR 20 CO -0.07 -0.43 0.09 -0.63 -0.69 0.00 0.00 174.62 172.89 1whd s ILE 21 N 3.29 5.02 -0.24 1.82 1.01 -0.99 -4.94 121.20 126.18 1whd s ILE 21 Ca 0.36 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 1whd s ILE 21 Cb -0.13 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 1whd s ILE 21 CO 0.16 0.47 -0.01 -0.60 0.00 0.00 0.00 174.94 174.97 1whd s ARG 22 N 0.20 3.32 -0.50 2.79 3.52 -1.26 -1.92 118.95 125.11 1whd s ARG 22 Ca 0.06 -0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 54.68 1whd s ARG 22 Cb -0.12 -3.12 -0.15 0.00 -1.56 0.00 0.00 34.95 30.00 1whd s ARG 22 CO -0.00 -0.26 1.78 -2.13 -0.81 0.00 0.00 175.30 173.88 1whd n ARG 23 N 4.82 0.00 0.00 5.12 0.63 -0.03 -4.84 116.66 122.36 1whd n ARG 23 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1whd n ARG 23 Cb 0.50 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.25 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 5.58 -2.25 0.17 5.14 0.00 -0.80 -4.88 105.19 108.16 1whd n GLY 24 Ca 0.45 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1whd n GLY 24 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1whd h LYS 25 N 0.00 0.52 -3.12 1.61 3.11 -1.93 -3.39 116.57 113.38 1whd h LYS 25 Ca 0.00 -0.05 -0.57 0.00 -2.81 0.00 0.00 60.65 57.22 1whd h LYS 25 Cb 0.00 -0.11 -0.40 0.00 -1.00 0.00 0.00 32.23 30.73 1whd h LYS 25 CO 0.00 0.40 -0.77 0.16 -2.81 0.00 0.00 179.45 176.43 1whd s ASP 26 N -5.64 3.68 0.00 4.20 -4.77 -1.26 -5.09 116.67 107.80 1whd s ASP 26 Ca -0.13 -1.77 0.00 0.00 -3.30 0.00 0.00 52.55 47.35 1whd s ASP 26 Cb 0.10 -0.68 0.00 0.00 -1.09 0.00 0.00 42.92 41.25 1whd s ASP 26 CO 0.73 -0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.82 1whd n GLY 27 N 4.65 -2.13 0.28 2.12 0.00 -1.26 -4.59 105.19 104.26 1whd n GLY 27 Ca 0.01 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.67 0.00 1.61 0.04 -1.90 -2.13 116.94 113.89 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 0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1whd h PHE 28 CO 0.00 -0.34 0.00 0.41 -0.60 0.00 0.00 178.31 177.78 1whd n GLY 29 N -1.37 3.67 3.93 -1.45 0.00 -1.26 -3.74 105.19 104.97 1whd n GLY 29 Ca -0.04 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 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 3.49 -0.00 1.61 -0.71 -1.26 -3.90 117.98 117.20 1whd s PHE 30 Ca 0.00 0.25 0.05 0.00 -1.04 0.00 0.00 56.93 56.19 1whd s PHE 30 Cb 0.00 -1.78 -0.01 0.00 -1.21 0.00 0.00 43.02 40.02 1whd s PHE 30 CO 0.00 0.44 -0.17 0.99 -1.34 0.00 0.00 175.22 175.14 1whd s THR 31 N -1.80 1.35 -0.09 -4.49 2.01 -0.90 -5.03 115.64 106.69 1whd s THR 31 Ca 0.37 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 1whd s THR 31 Cb -0.11 -1.14 0.04 0.00 0.01 0.00 0.00 72.50 71.30 1whd s THR 31 CO 0.29 0.34 0.22 0.27 -0.69 0.00 0.00 174.62 175.05 1whd s ILE 32 N -0.46 -0.03 -0.22 1.82 -5.25 -1.26 -1.22 121.20 114.58 1whd s ILE 32 Ca 0.06 0.12 -0.08 0.00 -0.99 0.00 0.00 60.65 59.76 1whd s ILE 32 Cb -0.07 -0.34 0.09 0.00 2.95 0.00 0.00 42.46 45.09 1whd s ILE 32 CO -0.00 0.05 0.47 0.00 -1.79 0.00 0.00 174.94 173.67 1whd s ASP 35 N -1.35 7.33 -0.18 0.00 1.01 -1.26 -2.54 116.67 119.69 1whd s ASP 35 Ca 0.08 1.61 -0.25 0.00 0.71 0.00 0.00 52.55 54.70 1whd s ASP 35 Cb -0.01 -2.54 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 1whd s ASP 35 CO -0.06 -0.18 0.80 -0.24 0.21 0.00 0.00 175.17 175.70 1whd n SER 36 N 3.57 0.44 -4.77 0.27 2.88 -1.24 -4.15 113.62 110.61 1whd n SER 36 Ca 0.04 0.67 -0.35 0.00 -1.33 0.00 0.00 58.87 57.90 1whd n SER 36 Cb 0.51 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1whd n SER 36 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1whd s PRO 37 N 1.08 3.33 0.23 -1.46 0.04 -1.26 -4.99 135.00 131.97 1whd s PRO 37 Ca 0.57 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.96 1whd s PRO 37 Cb -0.80 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 1whd s PRO 37 CO 0.41 -0.87 0.82 0.08 0.04 0.00 0.00 177.00 177.49 1whd s VAL 38 N -1.80 4.35 0.38 -0.36 1.01 -1.25 -4.87 120.40 117.87 1whd s VAL 38 Ca 0.72 1.66 0.04 0.00 0.00 0.00 0.00 61.98 64.40 1whd s VAL 38 Cb -0.24 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1whd s VAL 38 CO 0.28 0.34 0.10 -0.60 0.00 0.00 0.00 175.10 175.22 1whd s ARG 39 N -1.60 1.83 0.10 2.72 3.52 -1.26 -1.93 118.95 122.34 1whd s ARG 39 Ca 0.42 -2.09 -0.13 0.00 -0.13 0.00 0.00 55.73 53.80 1whd s ARG 39 Cb -0.21 -0.69 -0.06 0.00 -1.56 0.00 0.00 34.95 32.43 1whd s ARG 39 CO 0.25 -0.38 0.49 0.08 -0.81 0.00 0.00 175.30 174.93 1whd s VAL 40 N -3.26 4.94 -0.13 7.11 1.01 -0.39 -3.17 120.40 126.52 1whd s VAL 40 Ca 0.28 0.74 -0.10 0.00 0.00 0.00 0.00 61.98 62.90 1whd s VAL 40 Cb 0.05 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1whd s VAL 40 CO 0.14 0.32 -0.19 1.67 0.00 0.00 0.00 175.10 177.04 1whd n GLN 41 N 1.01 0.40 -3.58 2.72 7.27 -0.35 -3.88 117.38 120.97 1whd n GLN 41 Ca -0.07 0.39 -0.15 0.00 0.07 0.00 0.00 57.00 57.24 1whd n GLN 41 Cb 0.52 -1.47 -0.06 0.00 2.41 0.00 0.00 30.24 31.64 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 -2.82 -1.40 -0.08 1.69 0.00 -0.98 -4.69 121.76 113.48 1whd s ALA 42 Ca -0.16 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.61 1whd s ALA 42 Cb 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1whd s ALA 42 CO 0.24 -0.44 -0.16 0.08 0.00 0.00 0.00 175.76 175.48 1whd s VAL 43 N -1.95 2.83 0.05 0.00 1.01 -1.26 -2.12 120.40 118.95 1whd s VAL 43 Ca -0.08 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 1whd s VAL 43 Cb -0.01 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 1whd s VAL 43 CO 0.02 0.56 1.26 -0.62 0.00 0.00 0.00 175.10 176.32 1whd s ASP 44 N -0.21 7.00 -0.44 3.32 2.15 -1.25 -4.96 116.67 122.27 1whd s ASP 44 Ca -0.00 2.06 -0.29 0.00 0.43 0.00 0.00 52.55 54.75 1whd s ASP 44 Cb -0.13 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1whd s ASP 44 CO 0.03 -0.55 1.35 -0.44 -0.17 0.00 0.00 175.17 175.39 1whd s SER 45 N 1.23 6.39 0.00 -0.34 0.01 -1.26 -3.23 113.70 116.50 1whd s SER 45 Ca 0.60 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1whd s SER 45 Cb -0.30 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1whd s SER 45 CO 0.28 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 173.12 1whd n GLY 46 N 5.05 1.06 2.50 3.44 0.00 -1.26 -5.10 105.19 110.87 1whd n GLY 46 Ca 0.15 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.45 3.75 0.20 -0.02 0.00 -1.20 -4.97 105.19 102.50 1whd n GLY 47 Ca 0.00 -2.31 0.15 0.00 0.00 0.00 0.00 46.02 43.86 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 0.00 1.61 0.13 -1.88 -1.83 132.00 130.03 1whd h PRO 48 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1whd h PRO 48 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1whd h PRO 48 CO 0.48 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.22 1whd h ALA 49 N 2.14 0.00 0.62 -0.56 0.00 -1.89 -3.25 119.26 116.32 1whd h ALA 49 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1whd h ALA 49 Cb 0.42 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1whd h ALA 49 CO 0.00 0.03 -0.30 1.49 0.00 0.00 0.00 179.25 180.47 1whd h GLU 50 N -1.00 -0.81 -1.00 0.00 4.57 -1.76 -1.49 114.58 113.09 1whd h GLU 50 Ca -0.00 0.06 0.40 0.00 -1.18 0.00 0.00 59.36 58.64 1whd h GLU 50 Cb 0.07 0.18 -0.17 0.00 -0.16 0.00 0.00 28.75 28.67 1whd h GLU 50 CO -0.00 -0.50 0.55 0.00 -1.18 0.00 0.00 179.01 177.88 1whd h ARG 51 N -1.12 0.05 -0.41 1.92 3.08 -1.55 1.08 114.38 117.45 1whd h ARG 51 Ca -0.09 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1whd h ARG 51 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1whd h ARG 51 CO 0.14 0.04 -0.20 0.00 -1.07 0.00 0.00 179.97 178.88 1whd h ALA 52 N 1.97 0.57 0.00 0.04 0.00 -1.57 -3.47 119.26 116.81 1whd h ALA 52 Ca 0.83 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1whd h ALA 52 Cb 2.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1whd h ALA 52 CO -0.74 0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1whd n GLY 53 N -0.06 0.26 3.72 0.00 0.00 0.37 -4.96 105.19 104.52 1whd n GLY 53 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 4.24 -0.07 0.99 0.20 -0.59 -4.89 118.68 118.56 1whd s LEU 54 Ca 0.00 0.56 -0.02 0.00 0.69 0.00 0.00 54.13 55.35 1whd s LEU 54 Cb 0.00 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.29 1whd s LEU 54 CO 0.00 0.07 0.04 -1.58 -0.29 0.00 0.00 176.35 174.59 1whd s GLN 55 N 0.53 3.05 0.64 1.98 0.74 -1.26 -4.51 119.66 120.83 1whd s GLN 55 Ca 0.18 -0.39 -0.13 0.00 0.05 0.00 0.00 55.36 55.07 1whd s GLN 55 Cb -0.13 -2.86 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1whd s GLN 55 CO 0.05 0.70 1.06 -1.14 -0.55 0.00 0.00 175.29 175.41 1whd s GLN 56 N -1.10 3.14 -1.51 1.67 0.74 -1.26 -3.68 119.66 117.67 1whd s GLN 56 Ca 0.16 1.08 -0.06 0.00 0.05 0.00 0.00 55.36 56.58 1whd s GLN 56 Cb -0.12 -2.01 0.02 0.00 1.10 0.00 0.00 33.01 32.00 1whd s GLN 56 CO 0.05 -0.94 0.67 1.28 -0.55 0.00 0.00 175.29 175.80 1whd n LEU 57 N -2.56 -2.63 -4.93 3.68 4.77 -1.25 -4.98 117.00 109.10 1whd n LEU 57 Ca 0.08 -0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 55.45 1whd n LEU 57 Cb 0.53 -2.88 -0.03 0.00 -2.33 0.00 0.00 43.42 38.72 1whd n LEU 57 CO 0.51 0.28 0.05 -0.62 -1.33 0.00 0.00 177.39 176.28 1whd s ASP 58 N -2.79 6.38 -0.28 -1.43 -1.08 -1.24 -4.79 116.67 111.44 1whd s ASP 58 Ca 0.36 0.43 -0.10 0.00 -0.52 0.00 0.00 52.55 52.71 1whd s ASP 58 Cb -0.16 -2.02 -0.05 0.00 -1.46 0.00 0.00 42.92 39.23 1whd s ASP 58 CO 0.44 -0.08 0.17 -0.89 0.52 0.00 0.00 175.17 175.34 1whd s THR 59 N -1.93 5.14 -0.38 1.71 2.01 -1.26 -1.26 115.64 119.67 1whd s THR 59 Ca 0.39 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 62.21 1whd s THR 59 Cb -0.11 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1whd s THR 59 CO 0.30 0.25 1.80 -0.69 -0.69 0.00 0.00 174.62 175.59 1whd s VAL 60 N 1.73 3.47 -0.08 3.82 1.01 -0.81 -3.24 120.40 126.30 1whd s VAL 60 Ca 0.07 0.45 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 1whd s VAL 60 Cb -0.16 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1whd s VAL 60 CO 0.10 -0.50 -0.00 -0.07 0.00 0.00 0.00 175.10 174.63 1whd h LEU 61 N 14.16 0.00 -7.62 3.92 3.38 -1.66 -3.41 115.31 124.08 1whd h LEU 61 Ca -0.32 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 1whd h LEU 61 Cb 1.17 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.66 1whd h LEU 61 CO 1.07 0.42 -0.54 0.00 0.09 0.00 0.00 178.44 179.47 1whd s GLN 62 N -1.46 0.22 -0.09 1.13 -2.07 -1.15 -2.98 119.66 113.26 1whd s GLN 62 Ca -0.00 0.09 0.03 0.00 -1.82 0.00 0.00 55.36 53.66 1whd s GLN 62 Cb 0.00 0.10 0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1whd s GLN 62 CO 0.00 -0.04 -0.20 -1.17 -1.32 0.00 0.00 175.29 172.57 1whd s LEU 63 N -0.18 1.93 -0.94 2.60 2.96 0.10 -0.47 118.68 124.67 1whd s LEU 63 Ca -0.03 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1whd s LEU 63 Cb -0.02 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1whd s LEU 63 CO 0.00 0.10 0.80 0.59 -1.32 0.00 0.00 176.35 176.53 1whd n ASN 64 N 3.73 -3.95 -2.23 3.68 5.03 0.32 -2.33 115.26 119.50 1whd n ASN 64 Ca -0.20 -0.56 -0.06 0.00 0.87 0.00 0.00 54.58 54.63 1whd n ASN 64 Cb 0.52 -4.40 -0.01 0.00 -1.02 0.00 0.00 39.78 34.87 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 -3.28 -2.32 -4.27 3.52 0.28 -1.26 -4.90 120.64 108.41 1whd n GLU 65 Ca -0.15 0.33 -0.18 0.00 -0.16 0.00 0.00 57.16 57.00 1whd n GLU 65 Cb 0.62 -4.80 -0.14 0.00 1.43 0.00 0.00 31.44 28.56 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 -4.55 0.71 0.07 3.44 0.52 -0.98 -5.13 118.95 113.04 1whd s ARG 66 Ca 0.00 -0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 54.37 1whd s ARG 66 Cb 0.00 -0.66 -0.07 0.00 0.52 0.00 0.00 34.95 34.74 1whd s ARG 66 CO 0.00 0.17 1.39 -1.25 0.02 0.00 0.00 175.30 175.63 1whd s PRO 67 N -0.78 4.31 -0.06 3.54 0.04 -1.26 -0.72 135.00 140.07 1whd s PRO 67 Ca -0.00 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.19 1whd s PRO 67 Cb -0.06 -3.38 0.24 0.00 0.04 0.00 0.00 34.50 31.34 1whd s PRO 67 CO 0.00 -0.48 1.11 1.33 0.04 0.00 0.00 177.00 179.00 1whd n VAL 68 N 4.22 0.68 0.23 -0.36 0.24 -1.16 -4.81 118.33 117.37 1whd n VAL 68 Ca 0.12 -1.19 0.07 0.00 -2.04 0.00 0.00 64.34 61.30 1whd n VAL 68 Cb 0.43 0.39 0.54 0.00 -1.47 0.00 0.00 33.84 33.73 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 0.43 0.00 -0.55 7.34 5.08 -1.79 -2.21 114.58 122.87 1whd h GLU 69 Ca -0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 1whd h GLU 69 Cb 1.41 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.54 1whd h GLU 69 CO 0.03 0.21 0.16 0.72 -1.00 0.00 0.00 179.01 179.13 1whd n HIS 70 N -4.02 1.80 -4.33 4.33 8.25 -1.26 -4.34 115.22 115.64 1whd n HIS 70 Ca -0.02 -1.35 -0.35 0.00 -0.26 0.00 0.00 57.72 55.74 1whd n HIS 70 Cb 0.29 -0.59 -0.09 0.00 1.12 0.00 0.00 29.99 30.72 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 -3.08 3.17 0.32 4.41 0.52 -0.83 -4.97 118.94 118.47 1whd s TRP 71 Ca 0.49 0.19 0.01 0.00 0.02 0.00 0.00 56.10 56.81 1whd s TRP 71 Cb 0.41 -1.78 0.06 0.00 -1.15 0.00 0.00 33.47 31.02 1whd s TRP 71 CO 0.08 0.48 0.44 1.63 0.02 0.00 0.00 176.95 179.60 1whd n LYS 72 N 1.99 0.39 0.01 4.98 5.02 -1.26 -3.71 118.16 125.58 1whd n LYS 72 Ca -0.18 -1.28 -0.04 0.00 -2.02 0.00 0.00 58.31 54.79 1whd n LYS 72 Cb 0.53 -0.27 0.19 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.42 1.32 -0.12 0.00 -1.51 -1.95 -1.62 116.25 112.80 1whd h VAL 74 Ca 0.06 -2.61 -0.21 0.00 -1.23 0.00 0.00 66.70 62.72 1whd h VAL 74 Cb 0.70 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 32.66 1whd h VAL 74 CO 0.05 0.78 -0.76 -0.33 -1.23 0.00 0.00 177.57 176.09 1whd h GLU 75 N 0.21 0.61 0.17 5.19 4.39 -1.91 -3.25 114.58 119.99 1whd h GLU 75 Ca -0.19 -0.50 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 1whd h GLU 75 Cb 1.97 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1whd h GLU 75 CO 0.24 1.12 -0.08 1.25 -1.16 0.00 0.00 179.01 180.38 1whd h LEU 76 N 0.41 -0.20 -0.65 1.33 5.85 -0.67 -3.30 115.31 118.08 1whd h LEU 76 Ca -0.04 0.01 0.27 0.00 0.84 0.00 0.00 57.88 58.96 1whd h LEU 76 Cb 1.36 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 42.33 1whd h LEU 76 CO 0.14 0.11 0.36 0.00 -0.34 0.00 0.00 178.44 178.71 1whd n ALA 77 N -2.50 0.67 -0.13 1.25 0.00 -0.61 0.14 120.51 119.33 1whd n ALA 77 Ca -0.03 0.65 -0.05 0.00 0.00 0.00 0.00 53.44 54.01 1whd n ALA 77 Cb 0.09 -0.66 0.01 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 -0.59 -0.35 0.00 -0.00 -1.63 0.20 115.15 112.78 1whd h HIS 78 Ca 0.55 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.94 1whd h HIS 78 Cb 1.46 0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 29.18 1whd h HIS 78 CO -0.01 -0.31 0.11 0.93 -0.00 0.00 0.00 177.93 178.65 1whd h GLU 79 N -0.15 0.55 -1.01 5.26 4.39 0.10 -0.54 114.58 123.19 1whd h GLU 79 Ca 0.20 -0.12 0.09 0.00 0.34 0.00 0.00 59.36 59.87 1whd h GLU 79 Cb 0.46 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 1whd h GLU 79 CO -0.51 0.58 0.64 0.82 -1.16 0.00 0.00 179.01 179.38 1whd h ILE 80 N 0.42 1.01 0.00 3.13 2.04 -1.06 -0.70 117.51 122.34 1whd h ILE 80 Ca 0.11 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 1whd h ILE 80 Cb 0.26 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 1whd h ILE 80 CO -0.00 0.20 -0.58 0.08 0.00 0.00 0.00 178.15 177.85 1whd h ARG 81 N 1.09 0.00 -0.76 2.37 0.11 -0.40 -3.30 114.38 113.50 1whd h ARG 81 Ca 0.47 0.00 0.17 0.00 0.10 0.00 0.00 59.98 60.71 1whd h ARG 81 Cb 0.32 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.27 1whd h ARG 81 CO -0.22 0.58 -0.07 0.66 0.10 0.00 0.00 179.97 181.02 1whd h SER 82 N 0.00 -0.50 -3.61 0.08 4.64 0.50 -3.29 113.55 111.38 1whd h SER 82 Ca -0.01 0.21 -0.67 0.00 -0.47 0.00 0.00 61.79 60.85 1whd h SER 82 Cb 1.30 0.40 -0.38 0.00 -0.31 0.00 0.00 62.40 63.41 1whd h SER 82 CO 0.07 -0.21 -0.65 0.00 -0.87 0.00 0.00 176.83 175.17 1whd h PRO 84 N 7.80 -0.05 0.00 0.00 0.13 -1.79 -3.36 132.00 134.74 1whd h PRO 84 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1whd h PRO 84 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1whd h PRO 84 CO 0.59 0.42 0.00 0.43 -0.23 0.00 0.00 178.00 179.22 1whd n SER 85 N -4.88 0.00 -4.09 1.44 7.64 -1.26 -4.10 113.62 108.37 1whd n SER 85 Ca -0.08 0.96 -0.07 0.00 1.01 0.00 0.00 58.87 60.68 1whd n SER 85 Cb 0.25 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.89 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1whd s GLU 86 N -2.85 0.60 0.03 1.43 2.12 -1.26 -0.85 118.70 117.92 1whd s GLU 86 Ca 0.00 -1.20 -0.07 0.00 0.36 0.00 0.00 54.97 54.06 1whd s GLU 86 Cb 0.00 0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.59 1whd s GLU 86 CO 0.00 -0.11 0.13 0.96 -0.54 0.00 0.00 175.26 175.71 1whd s ILE 87 N -3.84 0.11 -0.25 -3.70 -4.36 -0.81 -4.72 121.20 103.63 1whd s ILE 87 Ca 0.06 -0.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.54 1whd s ILE 87 Cb 0.07 -0.78 0.06 0.00 1.25 0.00 0.00 42.46 43.06 1whd s ILE 87 CO -0.10 -0.52 -0.11 -0.63 0.24 0.00 0.00 174.94 173.83 1whd s ILE 88 N -2.29 2.07 -0.04 8.37 1.01 -1.26 -2.34 121.20 126.72 1whd s ILE 88 Ca -0.08 -1.51 0.05 0.00 0.00 0.00 0.00 60.65 59.12 1whd s ILE 88 Cb -0.03 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1whd s ILE 88 CO -0.03 0.02 -0.20 -1.48 0.00 0.00 0.00 174.94 173.25 1whd s LEU 89 N 1.16 1.99 -0.14 2.97 2.34 -1.24 -0.52 118.68 125.24 1whd s LEU 89 Ca -0.07 -0.40 -0.02 0.00 0.06 0.00 0.00 54.13 53.69 1whd s LEU 89 Cb -0.19 -1.11 -0.02 0.00 -0.56 0.00 0.00 46.19 44.31 1whd s LEU 89 CO -0.06 0.21 -0.06 -0.22 -1.06 0.00 0.00 176.35 175.16 1whd s LEU 90 N -0.17 3.12 0.33 1.48 2.96 0.38 -2.02 118.68 124.75 1whd s LEU 90 Ca -0.00 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1whd s LEU 90 Cb -0.11 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1whd s LEU 90 CO 0.02 0.19 0.06 0.68 -1.32 0.00 0.00 176.35 175.97 1whd s VAL 91 N 0.25 1.18 -0.13 1.68 -7.23 -0.99 -1.68 120.40 113.48 1whd s VAL 91 Ca -0.04 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.07 1whd s VAL 91 Cb -0.14 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 1whd s VAL 91 CO 0.04 0.00 0.09 0.86 -0.31 0.00 0.00 175.10 175.77 1whd s TRP 92 N -3.30 3.40 0.02 2.82 -0.11 -1.20 -2.43 118.94 118.14 1whd s TRP 92 Ca 0.36 0.34 0.04 0.00 1.22 0.00 0.00 56.10 58.06 1whd s TRP 92 Cb 0.09 -1.95 -0.02 0.00 -1.50 0.00 0.00 33.47 30.10 1whd s TRP 92 CO 0.16 0.52 -0.12 0.50 -4.62 0.00 0.00 176.95 173.39 1whd s ARG 93 N -0.60 0.85 -0.06 5.86 3.52 -0.88 -4.54 118.95 123.10 1whd s ARG 93 Ca 0.12 -0.57 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 1whd s ARG 93 Cb -0.12 -0.82 0.00 0.00 -1.56 0.00 0.00 34.95 32.45 1whd s ARG 93 CO 0.02 0.21 -0.18 0.54 -0.81 0.00 0.00 175.30 175.09 1whd s VAL 94 N -0.61 1.53 0.24 7.11 0.11 -1.26 -0.23 120.40 127.30 1whd s VAL 94 Ca 0.02 -0.74 -0.22 0.00 -2.93 0.00 0.00 61.98 58.10 1whd s VAL 94 Cb -0.06 -1.33 -0.09 0.00 -1.53 0.00 0.00 36.38 33.37 1whd s VAL 94 CO 0.00 0.44 0.80 -0.55 -3.33 0.00 0.00 175.10 172.46 1whd s SER 95 N 0.26 7.19 0.00 3.54 0.15 -1.26 -4.75 113.70 118.83 1whd s SER 95 Ca -0.10 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1whd s SER 95 Cb -0.14 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1whd s SER 95 CO 0.04 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1whd n GLY 96 N 0.79 -2.41 0.00 9.45 0.00 -1.26 -4.87 105.19 106.89 1whd n GLY 96 Ca -0.01 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 0.10 0.49 -2.50 1.61 -0.04 -1.26 -4.50 135.00 128.90 1whd n PRO 97 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1whd n PRO 97 Cb 0.00 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.08 1whd n PRO 97 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1whd s SER 98 N -1.87 6.55 -0.46 3.54 0.01 -1.26 -4.93 113.70 115.28 1whd s SER 98 Ca 0.17 -2.24 -0.36 0.00 1.31 0.00 0.00 55.95 54.83 1whd s SER 98 Cb 0.08 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.59 1whd s SER 98 CO 0.13 -1.47 2.25 -0.24 0.41 0.00 0.00 173.24 174.32 1whd n SER 99 N 9.30 1.61 0.00 2.44 2.88 -1.26 -5.21 113.62 123.38 1whd n SER 99 Ca 0.47 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1whd n SER 99 Cb 0.47 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1whd n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42