#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnt s SER 2 N 0.00 6.31 -0.08 1.61 0.01 -1.26 -5.08 113.70 115.22 2dnt s SER 2 Ca 0.00 0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.32 2dnt s SER 2 Cb 0.00 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 2dnt s SER 2 CO 0.00 -0.16 0.54 -0.44 0.41 0.00 0.00 173.24 173.59 2dnt s SER 3 N -3.93 6.81 0.31 2.44 0.01 -1.26 -5.02 113.70 113.06 2dnt s SER 3 Ca 0.37 0.97 -0.29 0.00 1.31 0.00 0.00 55.95 58.31 2dnt s SER 3 Cb -0.09 -2.33 -0.13 0.00 0.21 0.00 0.00 66.02 63.68 2dnt s SER 3 CO 0.32 0.02 1.31 0.61 0.41 0.00 0.00 173.24 175.91 2dnt n GLY 4 N 2.97 0.60 3.26 3.44 0.00 -1.26 -5.00 105.19 109.21 2dnt n GLY 4 Ca -0.06 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 2dnt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dnt s SER 5 N -0.16 -0.43 0.43 1.61 1.04 -1.26 -5.17 113.70 109.77 2dnt s SER 5 Ca 0.59 0.91 0.06 0.00 0.48 0.00 0.00 55.95 57.99 2dnt s SER 5 Cb -0.59 0.91 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2dnt s SER 5 CO 0.59 -0.20 0.59 -0.55 0.98 0.00 0.00 173.24 174.65 2dnt s SER 6 N 1.72 5.65 0.00 7.02 0.15 -1.26 -5.06 113.70 121.92 2dnt s SER 6 Ca -0.07 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2dnt s SER 6 Cb -0.09 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 2dnt s SER 6 CO -0.13 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.15 2dnt n GLY 7 N -1.91 3.93 0.06 9.45 0.00 -1.26 -5.04 105.19 110.41 2dnt n GLY 7 Ca 0.07 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 2dnt n GLY 7 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2dnt h MET 8 N 0.00 0.00 -4.66 1.61 0.00 -2.09 -3.50 114.93 106.29 2dnt h MET 8 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 59.70 59.71 2dnt h MET 8 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.60 31.52 2dnt h MET 8 CO 0.00 0.41 -1.18 0.00 0.00 0.00 0.00 176.91 176.14 2dnt n ALA 9 N -2.83 -3.55 -1.21 6.32 0.00 -1.26 -4.89 120.51 113.09 2dnt n ALA 9 Ca -0.06 1.56 0.15 0.00 0.00 0.00 0.00 53.44 55.10 2dnt n ALA 9 Cb 0.23 -3.06 -0.06 0.00 0.00 0.00 0.00 19.45 16.56 2dnt n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dnt n SER 10 N 1.16 -7.22 -3.75 0.00 2.88 -1.26 -4.94 113.62 100.49 2dnt n SER 10 Ca -0.25 0.90 -0.17 0.00 -1.33 0.00 0.00 58.87 58.02 2dnt n SER 10 Cb 0.39 -3.95 -0.17 0.00 -0.75 0.00 0.00 64.21 59.74 2dnt n SER 10 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2dnt s GLU 11 N -3.16 -0.02 0.89 -1.46 2.02 -1.26 -5.14 118.70 110.56 2dnt s GLU 11 Ca 0.00 0.24 -0.10 0.00 0.02 0.00 0.00 54.97 55.12 2dnt s GLU 11 Cb 0.00 -0.35 0.13 0.00 0.10 0.00 0.00 34.13 34.01 2dnt s GLU 11 CO 0.00 -0.21 1.14 -1.21 0.02 0.00 0.00 175.26 174.99 2dnt s GLU 12 N 1.39 1.23 0.02 1.61 8.01 -1.26 -4.95 118.70 124.76 2dnt s GLU 12 Ca -0.05 1.48 -0.06 0.00 0.01 0.00 0.00 54.97 56.35 2dnt s GLU 12 Cb -0.13 -1.76 -0.03 0.00 -4.31 0.00 0.00 34.13 27.91 2dnt s GLU 12 CO -0.03 -2.46 1.10 1.37 0.01 0.00 0.00 175.26 175.25 2dnt h LEU 13 N -1.74 -0.29 -7.00 1.80 -0.00 -2.06 -3.45 115.31 102.57 2dnt h LEU 13 Ca -0.43 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2dnt h LEU 13 Cb 1.26 0.11 -0.21 0.00 -0.00 0.00 0.00 40.66 41.81 2dnt h LEU 13 CO 0.43 -0.11 0.09 -0.31 -0.00 0.00 0.00 178.44 178.54 2dnt s TYR 14 N -3.51 -0.92 0.00 0.17 2.02 -1.26 -5.10 117.35 108.75 2dnt s TYR 14 Ca -0.03 2.00 0.07 0.00 -0.37 0.00 0.00 57.07 58.74 2dnt s TYR 14 Cb 0.01 0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 42.01 2dnt s TYR 14 CO 0.11 -0.45 -0.22 -1.83 -1.57 0.00 0.00 175.55 171.59 2dnt s GLU 15 N 1.05 2.11 0.03 -0.62 -1.05 -1.26 -5.08 118.70 113.88 2dnt s GLU 15 Ca -0.05 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.53 2dnt s GLU 15 Cb -0.05 -2.12 -0.09 0.00 -0.44 0.00 0.00 34.13 31.43 2dnt s GLU 15 CO -0.10 0.56 1.98 0.28 0.95 0.00 0.00 175.26 178.92 2dnt n VAL 16 N 2.09 0.77 -0.04 1.83 0.31 -1.26 -4.86 118.33 117.18 2dnt n VAL 16 Ca -0.16 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 63.90 2dnt n VAL 16 Cb 0.52 -2.31 -0.11 0.00 -0.91 0.00 0.00 33.84 31.03 2dnt n VAL 16 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2dnt h GLU 17 N 10.58 -0.03 0.00 5.55 4.81 -1.95 -3.50 114.58 130.04 2dnt h GLU 17 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2dnt h GLU 17 Cb 1.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2dnt h GLU 17 CO 0.94 0.70 0.00 2.89 -0.73 0.00 0.00 179.01 182.81 2dnt n ARG 18 N -4.74 0.00 -3.18 1.92 1.85 -1.26 -4.97 116.66 106.28 2dnt n ARG 18 Ca -0.09 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.37 2dnt n ARG 18 Cb 0.36 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.71 2dnt n ARG 18 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2dnt s ILE 19 N -2.00 5.10 -0.39 8.89 -1.09 -1.26 -1.86 121.20 128.60 2dnt s ILE 19 Ca 0.00 1.16 0.14 0.00 -2.23 0.00 0.00 60.65 59.73 2dnt s ILE 19 Cb 0.00 -3.92 -0.19 0.00 -1.58 0.00 0.00 42.46 36.78 2dnt s ILE 19 CO 0.00 0.25 0.48 0.52 -1.23 0.00 0.00 174.94 174.96 2dnt n VAL 20 N 3.96 0.00 -3.68 2.92 0.31 0.51 -4.94 118.33 117.40 2dnt n VAL 20 Ca -0.04 -0.24 -0.02 0.00 -0.01 0.00 0.00 64.34 64.04 2dnt n VAL 20 Cb 0.51 0.64 -0.01 0.00 -0.91 0.00 0.00 33.84 34.07 2dnt n VAL 20 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dnt s ASP 21 N -2.93 -0.14 -0.23 4.52 -1.08 -1.10 -4.96 116.67 110.76 2dnt s ASP 21 Ca 0.01 -0.25 -0.20 0.00 -0.52 0.00 0.00 52.55 51.58 2dnt s ASP 21 Cb 0.10 0.33 0.06 0.00 -1.46 0.00 0.00 42.92 41.95 2dnt s ASP 21 CO 0.59 -0.61 0.60 -0.75 0.52 0.00 0.00 175.17 175.53 2dnt s LYS 22 N -2.88 0.69 0.30 4.34 2.20 -1.26 0.19 119.74 123.31 2dnt s LYS 22 Ca 0.12 0.86 -0.14 0.00 -0.36 0.00 0.00 55.97 56.46 2dnt s LYS 22 Cb 0.01 0.32 0.05 0.00 -1.51 0.00 0.00 37.83 36.70 2dnt s LYS 22 CO -0.01 -0.09 0.72 0.54 -0.36 0.00 0.00 175.35 176.14 2dnt n ARG 23 N 2.90 0.87 -4.38 4.03 5.12 0.67 -4.97 116.66 120.91 2dnt n ARG 23 Ca -0.14 -1.74 -0.24 0.00 -1.93 0.00 0.00 57.85 53.79 2dnt n ARG 23 Cb 0.56 2.21 -0.09 0.00 -1.16 0.00 0.00 32.46 33.98 2dnt n ARG 23 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2dnt s LYS 24 N -2.07 2.01 0.42 5.56 2.20 -1.26 0.17 119.74 126.77 2dnt s LYS 24 Ca 0.15 -1.67 0.08 0.00 -0.36 0.00 0.00 55.97 54.16 2dnt s LYS 24 Cb -0.04 -1.93 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 2dnt s LYS 24 CO 0.09 0.26 0.58 -0.80 -0.36 0.00 0.00 175.35 175.12 2dnt s ASN 25 N -3.64 5.65 0.54 1.43 0.01 0.13 -4.90 114.94 114.16 2dnt s ASN 25 Ca 0.32 -0.39 0.23 0.00 -0.71 0.00 0.00 52.86 52.31 2dnt s ASN 25 Cb -0.03 -0.70 1.40 0.00 0.41 0.00 0.00 41.25 42.33 2dnt s ASN 25 CO 0.18 -0.77 2.06 0.50 -1.51 0.00 0.00 177.10 177.57 2dnt h LYS 26 N 0.62 0.00 -0.09 -0.60 3.11 -2.01 0.31 116.57 117.91 2dnt h LYS 26 Ca -0.40 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.27 2dnt h LYS 26 Cb 1.28 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 2dnt h LYS 26 CO 0.46 0.00 -0.66 0.87 -2.81 0.00 0.00 179.45 177.30 2dnt h LYS 27 N 0.00 0.37 0.00 1.90 1.57 -2.05 -3.47 116.57 114.89 2dnt h LYS 27 Ca 0.14 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2dnt h LYS 27 Cb 0.60 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2dnt h LYS 27 CO -0.00 0.90 0.00 0.41 -0.57 0.00 0.00 179.45 180.19 2dnt n GLY 28 N 0.43 1.29 3.73 3.86 0.00 0.11 -5.10 105.19 109.50 2dnt n GLY 28 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2dnt n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dnt s LYS 29 N -0.23 4.65 0.01 1.61 -0.14 -1.26 -4.68 119.74 119.70 2dnt s LYS 29 Ca 0.00 1.54 -0.30 0.00 -1.36 0.00 0.00 55.97 55.85 2dnt s LYS 29 Cb 0.00 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 2dnt s LYS 29 CO 0.00 0.15 1.07 0.99 -0.76 0.00 0.00 175.35 176.80 2dnt s THR 30 N 0.01 4.53 0.10 2.17 2.01 -1.26 -0.70 115.64 122.50 2dnt s THR 30 Ca 0.48 1.82 0.09 0.00 0.31 0.00 0.00 61.69 64.39 2dnt s THR 30 Cb -0.25 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 2dnt s THR 30 CO 0.31 0.12 -0.23 -1.83 -0.69 0.00 0.00 174.62 172.31 2dnt s GLU 31 N 1.18 1.26 -0.10 4.92 -1.05 0.45 -2.34 118.70 123.02 2dnt s GLU 31 Ca 0.54 -1.18 -0.01 0.00 -0.15 0.00 0.00 54.97 54.18 2dnt s GLU 31 Cb -0.24 -1.56 0.03 0.00 -0.44 0.00 0.00 34.13 31.92 2dnt s GLU 31 CO 0.27 0.37 -0.05 0.71 0.95 0.00 0.00 175.26 177.52 2dnt s TYR 32 N -1.07 1.22 -0.29 4.83 2.02 0.27 -0.24 117.35 124.08 2dnt s TYR 32 Ca 0.09 -0.57 -0.29 0.00 -0.37 0.00 0.00 57.07 55.93 2dnt s TYR 32 Cb -0.10 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 2dnt s TYR 32 CO 0.04 -0.46 1.58 -1.17 -1.57 0.00 0.00 175.55 173.98 2dnt s LEU 33 N 1.80 3.75 0.23 -1.29 2.96 0.50 -2.45 118.68 124.18 2dnt s LEU 33 Ca 0.05 1.36 0.11 0.00 -0.22 0.00 0.00 54.13 55.43 2dnt s LEU 33 Cb -0.13 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 2dnt s LEU 33 CO -0.07 -1.37 -0.15 0.54 -1.32 0.00 0.00 176.35 173.98 2dnt s VAL 34 N 5.51 2.81 0.59 1.68 0.11 -1.22 0.19 120.40 130.08 2dnt s VAL 34 Ca 0.70 -2.03 0.05 0.00 -2.93 0.00 0.00 61.98 57.77 2dnt s VAL 34 Cb -0.21 -2.43 0.08 0.00 -1.53 0.00 0.00 36.38 32.29 2dnt s VAL 34 CO 0.30 -0.25 0.82 -0.13 -3.33 0.00 0.00 175.10 172.51 2dnt s ARG 35 N -3.15 2.22 0.30 1.54 0.52 -0.78 -4.30 118.95 115.31 2dnt s ARG 35 Ca 0.27 -1.30 -0.19 0.00 -0.52 0.00 0.00 55.73 53.99 2dnt s ARG 35 Cb -0.07 -2.54 0.06 0.00 0.52 0.00 0.00 34.95 32.92 2dnt s ARG 35 CO 0.15 -0.94 0.90 -1.58 0.02 0.00 0.00 175.30 173.85 2dnt s TRP 36 N -2.78 0.10 0.25 -0.53 0.52 -1.26 -3.56 118.94 111.68 2dnt s TRP 36 Ca 0.62 -0.65 0.09 0.00 0.02 0.00 0.00 56.10 56.17 2dnt s TRP 36 Cb -0.07 0.78 -0.05 0.00 -1.15 0.00 0.00 33.47 32.98 2dnt s TRP 36 CO 0.40 -1.29 -0.14 0.15 0.02 0.00 0.00 176.95 176.09 2dnt s LYS 37 N -2.26 1.51 0.00 4.98 1.02 -1.26 -4.80 119.74 118.94 2dnt s LYS 37 Ca 0.18 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.47 2dnt s LYS 37 Cb -0.04 -1.37 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 2dnt s LYS 37 CO 0.09 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.13 2dnt n GLY 38 N -0.52 2.01 3.80 -3.33 0.00 -1.26 -4.96 105.19 100.92 2dnt n GLY 38 Ca -0.06 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2dnt n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dnt s TYR 39 N 0.00 2.92 0.51 1.61 1.13 -1.26 -4.98 117.35 117.28 2dnt s TYR 39 Ca 0.00 1.51 -0.23 0.00 -1.41 0.00 0.00 57.07 56.94 2dnt s TYR 39 Cb 0.00 -3.02 -0.06 0.00 -1.10 0.00 0.00 41.96 37.78 2dnt s TYR 39 CO 0.00 -1.26 1.39 -0.25 -2.51 0.00 0.00 175.55 172.91 2dnt n ASP 40 N -2.29 2.91 0.20 -0.18 9.92 -1.26 -4.88 116.55 120.97 2dnt n ASP 40 Ca 0.09 1.03 0.05 0.00 -0.53 0.00 0.00 54.79 55.43 2dnt n ASP 40 Cb 0.53 -1.59 0.43 0.00 -0.64 0.00 0.00 41.12 39.85 2dnt n ASP 40 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2dnt h SER 41 N 1.74 0.00 -0.33 -2.24 0.87 -1.94 -2.14 113.55 109.50 2dnt h SER 41 Ca -0.51 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 59.90 2dnt h SER 41 Cb 1.29 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.16 2dnt h SER 41 CO 0.58 0.31 0.19 -0.62 -0.53 0.00 0.00 176.83 176.77 2dnt n GLU 42 N -3.97 1.61 -0.08 2.24 1.02 -1.26 -3.19 120.64 117.02 2dnt n GLU 42 Ca -0.02 -1.08 0.02 0.00 -0.02 0.00 0.00 57.16 56.06 2dnt n GLU 42 Cb 0.38 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 2dnt n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dnt n ASP 43 N -0.03 1.19 -3.61 1.62 9.92 -0.81 -5.09 116.55 119.75 2dnt n ASP 43 Ca 0.19 -1.88 -0.33 0.00 -0.53 0.00 0.00 54.79 52.24 2dnt n ASP 43 Cb 0.86 -0.10 0.02 0.00 -0.64 0.00 0.00 41.12 41.26 2dnt n ASP 43 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2dnt n ASP 44 N -0.44 -4.22 -4.22 -2.24 5.68 -1.19 -4.98 116.55 104.93 2dnt n ASP 44 Ca 0.03 0.37 -0.13 0.00 -0.50 0.00 0.00 54.79 54.56 2dnt n ASP 44 Cb 0.45 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 39.63 2dnt n ASP 44 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2dnt s THR 45 N -1.75 1.01 -0.32 2.12 -1.32 -1.26 -5.11 115.64 109.01 2dnt s THR 45 Ca 0.43 -2.02 -0.03 0.00 -1.21 0.00 0.00 61.69 58.85 2dnt s THR 45 Cb -0.30 -1.80 0.05 0.00 -1.51 0.00 0.00 72.50 68.94 2dnt s THR 45 CO 0.65 -0.78 0.05 0.26 -2.21 0.00 0.00 174.62 172.59 2dnt s TRP 46 N -3.43 3.28 -0.13 9.09 0.52 -1.26 -3.41 118.94 123.60 2dnt s TRP 46 Ca 0.15 -1.75 -0.06 0.00 0.02 0.00 0.00 56.10 54.46 2dnt s TRP 46 Cb 0.03 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.07 2dnt s TRP 46 CO -0.01 -0.79 0.09 -1.21 0.02 0.00 0.00 176.95 175.05 2dnt s GLU 47 N 1.30 3.47 0.35 4.98 0.41 -1.03 -4.79 118.70 123.40 2dnt s GLU 47 Ca -0.03 -0.24 -0.26 0.00 -0.41 0.00 0.00 54.97 54.03 2dnt s GLU 47 Cb -0.20 -3.12 -0.09 0.00 -1.78 0.00 0.00 34.13 28.94 2dnt s GLU 47 CO 0.00 0.65 1.07 -1.25 -0.49 0.00 0.00 175.26 175.23 2dnt s PRO 48 N -0.67 4.37 0.41 0.39 0.04 -1.26 0.94 135.00 139.23 2dnt s PRO 48 Ca 0.12 1.63 0.23 0.00 0.04 0.00 0.00 61.00 63.01 2dnt s PRO 48 Cb -0.12 -2.82 1.22 0.00 0.04 0.00 0.00 34.50 32.82 2dnt s PRO 48 CO 0.02 0.02 1.71 1.49 0.04 0.00 0.00 177.00 180.29 2dnt h GLU 49 N 3.07 0.27 -0.28 4.56 4.81 -1.81 1.56 114.58 126.75 2dnt h GLU 49 Ca -0.48 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2dnt h GLU 49 Cb 1.21 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2dnt h GLU 49 CO 0.64 0.18 0.17 0.37 -0.73 0.00 0.00 179.01 179.64 2dnt h GLN 50 N 0.27 0.37 0.09 1.92 4.15 -1.91 -1.33 115.11 118.68 2dnt h GLN 50 Ca 0.68 -0.03 -0.26 0.00 0.77 0.00 0.00 58.65 59.82 2dnt h GLN 50 Cb 1.90 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.51 2dnt h GLN 50 CO -0.35 0.26 -1.16 0.45 -1.93 0.00 0.00 178.83 176.09 2dnt h HIS 51 N 0.38 0.43 -0.11 3.99 3.86 0.18 -3.36 115.15 120.52 2dnt h HIS 51 Ca 0.10 -0.30 -0.71 0.00 -1.16 0.00 0.00 60.37 58.30 2dnt h HIS 51 Cb -0.02 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.39 2dnt h HIS 51 CO 0.00 1.21 3.17 1.28 0.86 0.00 0.00 177.93 184.45 2dnt n LEU 52 N -3.54 7.17 -4.75 2.43 4.77 -0.44 -4.93 117.00 117.71 2dnt n LEU 52 Ca -0.07 -4.22 -0.40 0.00 -0.03 0.00 0.00 56.01 51.29 2dnt n LEU 52 Cb 0.98 -1.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 2dnt n LEU 52 CO 0.52 1.29 0.48 -0.69 -1.33 0.00 0.00 177.39 177.66 2dnt s VAL 53 N 2.79 4.61 0.00 4.08 1.01 -1.26 -3.21 120.40 128.42 2dnt s VAL 53 Ca 0.50 1.67 0.00 0.00 0.00 0.00 0.00 61.98 64.15 2dnt s VAL 53 Cb 0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2dnt s VAL 53 CO -0.08 0.41 0.00 -3.20 0.00 0.00 0.00 175.10 172.23 2dnt n ASN 54 N 2.42 -3.93 -0.99 3.32 2.85 -1.26 -4.79 115.26 112.88 2dnt n ASN 54 Ca -0.03 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.52 2dnt n ASN 54 Cb 0.50 -1.98 0.27 0.00 1.24 0.00 0.00 39.78 39.80 2dnt n ASN 54 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dnt h GLU 56 N 2.14 0.30 -0.07 0.00 5.08 -1.87 -2.75 114.58 117.41 2dnt h GLU 56 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2dnt h GLU 56 Cb 1.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2dnt h GLU 56 CO 0.23 0.20 -0.05 1.49 -1.00 0.00 0.00 179.01 179.88 2dnt h GLU 57 N 0.31 -0.01 -0.82 2.33 4.57 -1.97 1.44 114.58 120.44 2dnt h GLU 57 Ca 0.31 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.58 2dnt h GLU 57 Cb 0.45 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.93 2dnt h GLU 57 CO -0.37 -0.00 -0.56 1.88 -1.18 0.00 0.00 179.01 178.77 2dnt h TYR 58 N -0.01 -1.77 -0.29 0.92 0.05 -1.86 0.72 116.97 114.73 2dnt h TYR 58 Ca 0.01 0.11 0.07 0.00 0.05 0.00 0.00 58.73 58.97 2dnt h TYR 58 Cb 0.04 0.88 -0.07 0.00 1.01 0.00 0.00 36.73 38.59 2dnt h TYR 58 CO -0.88 -0.41 -0.16 0.82 -1.05 0.00 0.00 178.16 176.48 2dnt h ILE 59 N -0.12 0.53 0.12 -2.88 2.04 -1.05 0.84 117.51 116.99 2dnt h ILE 59 Ca 0.15 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.02 2dnt h ILE 59 Cb 0.48 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2dnt h ILE 59 CO -0.84 0.00 -0.40 0.45 0.00 0.00 0.00 178.15 177.36 2dnt h HIS 60 N -0.12 -1.15 -0.42 1.37 3.86 0.50 0.91 115.15 120.09 2dnt h HIS 60 Ca 0.15 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.48 2dnt h HIS 60 Cb 0.35 0.49 -0.08 0.00 1.06 0.00 0.00 27.41 29.23 2dnt h HIS 60 CO -0.35 -0.46 -0.14 0.22 0.86 0.00 0.00 177.93 178.06 2dnt h ASP 61 N -0.59 -0.49 -1.01 2.45 1.82 0.75 0.15 116.42 119.50 2dnt h ASP 61 Ca -0.01 0.14 0.12 0.00 -0.39 0.00 0.00 57.03 56.89 2dnt h ASP 61 Cb 0.58 0.30 -0.09 0.00 0.68 0.00 0.00 39.33 40.81 2dnt h ASP 61 CO -0.20 -0.17 0.63 0.15 -1.61 0.00 0.00 179.24 178.04 2dnt h PHE 62 N -0.05 1.15 -0.16 0.28 3.57 0.14 0.83 116.94 122.70 2dnt h PHE 62 Ca 0.20 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2dnt h PHE 62 Cb 0.36 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2dnt h PHE 62 CO -0.40 0.45 0.07 -0.91 -2.23 0.00 0.00 178.31 175.29 2dnt h ASN 63 N 1.00 0.22 0.53 0.41 2.35 0.34 0.34 115.58 120.77 2dnt h ASN 63 Ca 0.50 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 2dnt h ASN 63 Cb 0.50 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2dnt h ASN 63 CO -0.27 0.31 -0.39 0.03 -1.65 0.00 0.00 177.43 175.47 2dnt h ARG 64 N 0.11 -0.86 -0.70 0.81 2.47 0.34 1.15 114.38 117.71 2dnt h ARG 64 Ca 0.05 0.06 0.13 0.00 -1.26 0.00 0.00 59.98 58.96 2dnt h ARG 64 Cb 0.16 0.19 -0.09 0.00 -1.65 0.00 0.00 29.97 28.58 2dnt h ARG 64 CO -0.01 -0.57 0.24 0.00 0.56 0.00 0.00 179.97 180.19 2dnt h ARG 65 N -0.89 0.37 0.27 0.04 2.47 -0.84 -2.86 114.38 112.93 2dnt h ARG 65 Ca -0.06 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2dnt h ARG 65 Cb 0.75 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 2dnt h ARG 65 CO 0.02 0.24 -0.13 1.25 0.56 0.00 0.00 179.97 181.91 2dnt h HIS 66 N 0.38 -0.33 -3.26 3.04 2.76 -0.50 -3.46 115.15 113.78 2dnt h HIS 66 Ca 0.38 -0.01 -0.21 0.00 -2.20 0.00 0.00 60.37 58.32 2dnt h HIS 66 Cb 0.56 0.11 -0.29 0.00 1.55 0.00 0.00 27.41 29.34 2dnt h HIS 66 CO -0.20 -0.21 -0.55 0.99 -1.30 0.00 0.00 177.93 176.66 2dnt s THR 67 N -3.24 -0.03 -0.20 6.26 2.01 0.39 -5.06 115.64 115.77 2dnt s THR 67 Ca -0.05 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 2dnt s THR 67 Cb 0.01 -0.26 -0.09 0.00 0.01 0.00 0.00 72.50 72.17 2dnt s THR 67 CO 0.16 0.04 -0.23 -0.62 -0.69 0.00 0.00 174.62 173.28 2dnt n GLU 68 N 3.72 0.53 -3.33 4.92 1.02 -1.23 -3.69 120.64 122.58 2dnt n GLU 68 Ca -0.21 0.35 -0.35 0.00 -0.02 0.00 0.00 57.16 56.94 2dnt n GLU 68 Cb 0.55 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 2dnt n GLU 68 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2dnt s LYS 69 N -2.57 3.99 -0.31 3.49 2.47 -1.26 -5.00 119.74 120.55 2dnt s LYS 69 Ca -0.28 0.52 -0.05 0.00 -1.56 0.00 0.00 55.97 54.60 2dnt s LYS 69 Cb 0.07 -2.88 0.27 0.00 -1.46 0.00 0.00 37.83 33.82 2dnt s LYS 69 CO 0.42 0.44 1.26 1.04 0.16 0.00 0.00 175.35 178.67 2dnt n GLN 70 N 0.66 0.03 -3.64 4.03 1.13 -1.26 -5.16 117.38 113.17 2dnt n GLN 70 Ca -0.04 -0.55 -0.04 0.00 -1.94 0.00 0.00 57.00 54.42 2dnt n GLN 70 Cb 0.52 0.02 -0.07 0.00 0.11 0.00 0.00 30.24 30.82 2dnt n GLN 70 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2dnt s LYS 71 N 0.20 0.27 -0.27 -1.09 2.20 -1.26 -5.14 119.74 114.65 2dnt s LYS 71 Ca 0.25 0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 56.22 2dnt s LYS 71 Cb 0.19 0.11 0.14 0.00 -1.51 0.00 0.00 37.83 36.77 2dnt s LYS 71 CO -0.07 -0.04 0.38 -2.00 -0.36 0.00 0.00 175.35 173.26 2dnt s GLU 72 N 0.45 0.37 -0.20 4.03 2.56 -1.26 -5.14 118.70 119.51 2dnt s GLU 72 Ca 0.01 0.28 -0.29 0.00 0.00 0.00 0.00 54.97 54.97 2dnt s GLU 72 Cb -0.04 -0.45 0.14 0.00 2.00 0.00 0.00 34.13 35.77 2dnt s GLU 72 CO -0.11 -0.84 1.07 -1.12 -0.56 0.00 0.00 175.26 173.69 2dnt s SER 73 N 2.52 -0.32 -0.24 -1.70 0.01 -1.26 -5.18 113.70 107.53 2dnt s SER 73 Ca 0.11 0.39 -0.27 0.00 1.31 0.00 0.00 55.95 57.49 2dnt s SER 73 Cb -0.14 0.32 0.14 0.00 0.21 0.00 0.00 66.02 66.55 2dnt s SER 73 CO -0.23 -0.26 1.10 -0.83 0.41 0.00 0.00 173.24 173.42 2dnt s GLY 74 N -0.90 -0.11 -1.00 3.44 0.00 -1.26 -5.04 107.32 102.46 2dnt s GLY 74 Ca 0.01 2.58 -0.07 0.00 0.00 0.00 0.00 44.72 47.23 2dnt s GLY 74 CO -0.01 1.51 2.53 -1.55 0.00 0.00 0.00 173.10 175.58 2dnt n PRO 75 N 1.48 2.54 0.00 2.90 -0.04 -1.26 -4.65 135.00 135.97 2dnt n PRO 75 Ca -0.10 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 2dnt n PRO 75 Cb 0.57 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2dnt n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dnt n SER 76 N 3.71 0.00 -3.69 3.54 2.88 -1.26 -5.16 113.62 113.65 2dnt n SER 76 Ca 0.54 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.89 2dnt n SER 76 Cb 0.26 0.00 -0.18 0.00 -0.75 0.00 0.00 64.21 63.55 2dnt n SER 76 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dnt s SER 77 N 0.00 0.96 0.00 -3.46 1.04 -1.26 -5.13 113.70 105.85 2dnt s SER 77 Ca 0.00 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2dnt s SER 77 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2dnt s SER 77 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60