#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup h SER 2 N 0.00 0.14 -4.25 1.61 0.02 -2.13 -3.47 113.55 105.47 2cup h SER 2 Ca 0.00 -0.68 -0.51 0.00 -0.84 0.00 0.00 61.79 59.75 2cup h SER 2 Cb 0.00 -0.04 0.17 0.00 0.14 0.00 0.00 62.40 62.67 2cup h SER 2 CO 0.00 1.53 0.25 -0.44 -1.14 0.00 0.00 176.83 177.03 2cup s SER 3 N -6.87 3.39 0.00 3.07 0.01 -1.26 -4.75 113.70 107.29 2cup s SER 3 Ca -0.25 2.03 0.00 0.00 1.31 0.00 0.00 55.95 59.04 2cup s SER 3 Cb 0.05 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2cup s SER 3 CO 0.66 -2.78 0.00 0.61 0.41 0.00 0.00 173.24 172.14 2cup n GLY 4 N -0.28 -0.65 3.40 3.44 0.00 -1.26 -5.10 105.19 104.75 2cup n GLY 4 Ca 0.11 0.24 -0.58 0.00 0.00 0.00 0.00 46.02 45.79 2cup n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cup n SER 5 N 0.00 1.31 -4.73 1.61 2.88 -1.26 -4.81 113.62 108.62 2cup n SER 5 Ca 0.00 0.71 -0.42 0.00 -1.33 0.00 0.00 58.87 57.83 2cup n SER 5 Cb 0.00 -1.01 -0.02 0.00 -0.75 0.00 0.00 64.21 62.43 2cup n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cup n SER 6 N 7.49 3.65 -4.28 -3.46 2.88 -1.26 -4.87 113.62 113.76 2cup n SER 6 Ca 0.46 1.14 -0.25 0.00 -1.33 0.00 0.00 58.87 58.90 2cup n SER 6 Cb 0.04 -1.56 -0.03 0.00 -0.75 0.00 0.00 64.21 61.91 2cup n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cup n GLY 7 N 2.24 3.27 3.83 0.46 0.00 -1.26 -2.31 105.19 111.42 2cup n GLY 7 Ca 0.09 -2.31 -0.33 0.00 0.00 0.00 0.00 46.02 43.47 2cup n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cup n VAL 9 N 0.99 0.00 -0.08 0.00 0.24 -0.88 -2.48 118.33 116.12 2cup n VAL 9 Ca -0.11 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 2cup n VAL 9 Cb 0.52 0.86 -0.05 0.00 -1.47 0.00 0.00 33.84 33.71 2cup n VAL 9 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2cup h GLU 10 N 1.48 0.00 -0.50 7.34 4.22 -1.95 -3.39 114.58 121.78 2cup h GLU 10 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2cup h GLU 10 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2cup h GLU 10 CO 0.00 0.33 0.00 0.00 -2.18 0.00 0.00 179.01 177.16 2cup n ARG 12 N 0.71 -2.43 -4.24 0.00 3.00 -1.03 -4.91 116.66 107.75 2cup n ARG 12 Ca 0.21 0.20 -0.26 0.00 -0.01 0.00 0.00 57.85 57.99 2cup n ARG 12 Cb 0.72 -4.79 -0.08 0.00 0.00 0.00 0.00 32.46 28.31 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2cup s LYS 13 N -5.86 2.27 0.37 5.56 -0.14 -1.24 -4.82 119.74 115.88 2cup s LYS 13 Ca 0.33 -1.18 -0.27 0.00 -1.36 0.00 0.00 55.97 53.48 2cup s LYS 13 Cb -0.18 -2.27 -0.09 0.00 -1.68 0.00 0.00 37.83 33.60 2cup s LYS 13 CO 0.40 0.44 1.20 -1.25 -0.76 0.00 0.00 175.35 175.38 2cup s PRO 14 N -2.94 4.19 -0.01 -1.68 0.04 -1.26 0.39 135.00 133.73 2cup s PRO 14 Ca 0.27 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2cup s PRO 14 Cb -0.09 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2cup s PRO 14 CO 0.17 -0.23 0.03 0.42 0.04 0.00 0.00 177.00 177.43 2cup s ILE 15 N -1.30 4.39 0.17 0.56 1.01 -0.98 -4.83 121.20 120.22 2cup s ILE 15 Ca 0.53 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 2cup s ILE 15 Cb -0.34 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.10 2cup s ILE 15 CO 0.43 0.40 0.58 -0.83 0.00 0.00 0.00 174.94 175.52 2cup s GLY 16 N -1.53 2.46 0.19 6.18 0.00 -1.26 -4.73 107.32 108.63 2cup s GLY 16 Ca 0.20 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.71 2cup s GLY 16 CO 0.10 0.18 1.78 0.00 0.00 0.00 0.00 173.10 175.16 2cup h ALA 17 N 3.40 0.71 -0.48 3.20 0.00 -1.99 -1.75 119.26 122.35 2cup h ALA 17 Ca -0.48 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2cup h ALA 17 Cb 1.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2cup h ALA 17 CO 0.66 -0.10 0.05 0.22 0.00 0.00 0.00 179.25 180.08 2cup h ASP 18 N 0.50 0.73 -2.57 0.00 3.58 -2.06 -3.42 116.42 113.17 2cup h ASP 18 Ca 0.25 -0.15 -0.55 0.00 0.42 0.00 0.00 57.03 57.00 2cup h ASP 18 Cb 0.20 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2cup h ASP 18 CO -0.20 0.76 1.13 -0.44 -2.88 0.00 0.00 179.24 177.62 2cup s SER 19 N -6.63 6.54 -0.37 2.28 0.01 -0.66 -4.89 113.70 109.98 2cup s SER 19 Ca -0.09 2.18 -0.27 0.00 1.31 0.00 0.00 55.95 59.08 2cup s SER 19 Cb 0.15 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.79 2cup s SER 19 CO 0.80 -1.04 2.27 -0.54 0.41 0.00 0.00 173.24 175.13 2cup s LYS 20 N 4.30 2.65 0.38 12.44 3.01 -1.26 -4.69 119.74 136.57 2cup s LYS 20 Ca 0.76 1.65 0.07 0.00 -1.01 0.00 0.00 55.97 57.45 2cup s LYS 20 Cb -0.33 -4.46 -0.00 0.00 -1.01 0.00 0.00 37.83 32.02 2cup s LYS 20 CO 0.31 -2.66 0.49 -1.83 0.51 0.00 0.00 175.35 172.18 2cup s GLU 21 N 7.21 2.91 -0.32 1.68 -1.05 -1.26 -3.91 118.70 123.96 2cup s GLU 21 Ca 0.97 -1.18 0.02 0.00 -0.15 0.00 0.00 54.97 54.63 2cup s GLU 21 Cb -0.24 -2.73 0.08 0.00 -0.44 0.00 0.00 34.13 30.81 2cup s GLU 21 CO 0.30 -0.10 0.02 0.08 0.95 0.00 0.00 175.26 176.51 2cup s VAL 22 N -2.29 2.45 -0.36 1.83 1.01 -0.88 -4.98 120.40 117.19 2cup s VAL 22 Ca 0.49 -1.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 2cup s VAL 22 Cb -0.09 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2cup s VAL 22 CO 0.31 -0.38 0.57 -2.28 0.00 0.00 0.00 175.10 173.32 2cup s HIS 23 N 1.03 3.16 -0.09 5.22 5.04 -1.26 -2.03 115.29 126.36 2cup s HIS 23 Ca 0.03 0.22 -0.17 0.00 -1.54 0.00 0.00 55.06 53.60 2cup s HIS 23 Cb -0.20 -3.04 0.04 0.00 0.04 0.00 0.00 32.58 29.42 2cup s HIS 23 CO -0.06 -0.60 0.41 -0.47 -2.34 0.00 0.00 174.74 171.68 2cup s TYR 24 N 2.55 -0.38 -1.56 3.88 5.04 -0.66 -4.92 117.35 121.30 2cup s TYR 24 Ca 0.21 0.81 -0.12 0.00 -2.44 0.00 0.00 57.07 55.54 2cup s TYR 24 Cb -0.15 0.16 0.09 0.00 0.35 0.00 0.00 41.96 42.41 2cup s TYR 24 CO 0.14 -0.33 0.78 1.63 -1.34 0.00 0.00 175.55 176.43 2cup n LYS 25 N 2.04 -4.16 -2.32 4.97 5.02 -1.26 0.37 118.16 122.81 2cup n LYS 25 Ca -0.17 0.48 -0.20 0.00 -2.02 0.00 0.00 58.31 56.40 2cup n LYS 25 Cb 0.57 -5.13 -0.02 0.00 -0.02 0.00 0.00 35.03 30.43 2cup n LYS 25 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2cup n ASN 26 N -2.81 -5.69 -4.10 4.39 2.85 -1.26 -4.96 115.26 103.68 2cup n ASN 26 Ca -0.04 0.05 -0.26 0.00 -0.11 0.00 0.00 54.58 54.22 2cup n ASN 26 Cb 0.56 -4.77 -0.08 0.00 1.24 0.00 0.00 39.78 36.73 2cup n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2cup s ARG 27 N -4.92 1.97 -0.17 1.20 0.52 0.16 -5.16 118.95 112.56 2cup s ARG 27 Ca 0.00 -2.22 -0.09 0.00 -0.52 0.00 0.00 55.73 52.91 2cup s ARG 27 Cb 0.00 -0.62 0.06 0.00 0.52 0.00 0.00 34.95 34.92 2cup s ARG 27 CO 0.00 -0.51 0.40 -0.06 0.02 0.00 0.00 175.30 175.16 2cup s PHE 28 N -3.18 -0.62 -0.00 -0.53 0.40 -1.26 -1.65 117.98 111.14 2cup s PHE 28 Ca 0.22 1.31 0.06 0.00 -0.60 0.00 0.00 56.93 57.92 2cup s PHE 28 Cb 0.02 0.26 -0.02 0.00 0.51 0.00 0.00 43.02 43.79 2cup s PHE 28 CO 0.14 -0.36 -0.20 -1.58 0.70 0.00 0.00 175.22 173.92 2cup s TRP 29 N 1.64 1.79 0.86 0.36 0.51 -0.86 -2.06 118.94 121.17 2cup s TRP 29 Ca -0.08 -0.34 -0.10 0.00 -2.12 0.00 0.00 56.10 53.45 2cup s TRP 29 Cb -0.09 -1.13 0.11 0.00 -0.81 0.00 0.00 33.47 31.54 2cup s TRP 29 CO -0.13 -0.01 1.13 -1.01 -0.51 0.00 0.00 176.95 176.43 2cup s HIS 30 N -0.54 1.97 0.11 -1.98 3.76 -1.26 -2.07 115.29 115.28 2cup s HIS 30 Ca 0.08 1.71 0.30 0.00 -0.15 0.00 0.00 55.06 56.99 2cup s HIS 30 Cb -0.08 -3.24 1.61 0.00 1.11 0.00 0.00 32.58 31.98 2cup s HIS 30 CO -0.00 -2.44 1.91 0.38 -0.85 0.00 0.00 174.74 173.73 2cup h ASP 31 N -1.55 0.00 0.00 1.40 2.03 -1.94 0.46 116.42 116.82 2cup h ASP 31 Ca -0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2cup h ASP 31 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2cup h ASP 31 CO 0.45 0.00 -0.88 0.35 -1.03 0.00 0.00 179.24 178.14 2cup n THR 32 N -2.54 0.00 -0.10 1.15 -2.24 -1.26 -4.63 114.28 104.66 2cup n THR 32 Ca -0.02 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 2cup n THR 32 Cb 0.05 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 68.93 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cup n PHE 34 N -4.45 1.35 -3.43 0.00 7.35 -0.14 -4.86 117.46 113.29 2cup n PHE 34 Ca -0.30 0.15 -0.12 0.00 -0.76 0.00 0.00 57.45 56.41 2cup n PHE 34 Cb 0.65 -2.60 -0.02 0.00 0.35 0.00 0.00 39.48 37.86 2cup n PHE 34 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2cup s ARG 35 N 8.11 1.26 1.15 -4.13 1.70 -1.26 -3.33 118.95 122.44 2cup s ARG 35 Ca 1.05 -0.43 -0.17 0.00 -0.47 0.00 0.00 55.73 55.71 2cup s ARG 35 Cb -0.40 0.58 0.16 0.00 -0.57 0.00 0.00 34.95 34.73 2cup s ARG 35 CO 0.32 -0.54 0.29 0.00 -1.08 0.00 0.00 175.30 174.28 2cup n ALA 37 N -4.62 2.73 -0.13 0.00 0.00 -1.08 -3.49 120.51 113.92 2cup n ALA 37 Ca 0.01 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 2cup n ALA 37 Cb 0.60 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 2cup n ALA 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cup n LYS 38 N -1.66 0.58 -0.00 0.00 4.81 -1.26 -4.58 118.16 116.05 2cup n LYS 38 Ca -0.01 0.36 0.10 0.00 -0.87 0.00 0.00 58.31 57.89 2cup n LYS 38 Cb 0.24 -1.57 -0.13 0.00 0.02 0.00 0.00 35.03 33.59 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cup n LEU 40 N -1.63 -4.13 -4.57 0.00 7.99 -1.23 -4.96 117.00 108.47 2cup n LEU 40 Ca 0.02 -0.73 -0.32 0.00 -0.01 0.00 0.00 56.01 54.97 2cup n LEU 40 Cb 0.37 -2.97 -0.11 0.00 -0.11 0.00 0.00 43.42 40.60 2cup n LEU 40 CO 0.43 0.32 -0.40 -2.28 -1.51 0.00 0.00 177.39 173.95 2cup s HIS 41 N -3.46 2.86 -0.31 -1.77 5.65 -1.26 -4.70 115.29 112.31 2cup s HIS 41 Ca 0.17 -0.05 -0.29 0.00 0.25 0.00 0.00 55.06 55.14 2cup s HIS 41 Cb -0.03 -1.62 -0.02 0.00 -1.18 0.00 0.00 32.58 29.73 2cup s HIS 41 CO 0.77 0.34 1.67 -1.25 -0.65 0.00 0.00 174.74 175.62 2cup s PRO 42 N -1.22 3.53 -0.15 2.88 0.04 -1.26 0.22 135.00 139.03 2cup s PRO 42 Ca 0.15 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.66 2cup s PRO 42 Cb -0.11 -4.12 0.36 0.00 0.04 0.00 0.00 34.50 30.68 2cup s PRO 42 CO 0.05 -1.62 1.23 1.28 0.04 0.00 0.00 177.00 177.98 2cup n LEU 43 N 9.43 3.86 -0.14 -3.56 7.99 -1.21 -4.34 117.00 129.03 2cup n LEU 43 Ca 0.20 -1.99 -0.08 0.00 -0.01 0.00 0.00 56.01 54.14 2cup n LEU 43 Cb 0.46 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 2cup n LEU 43 CO 0.68 0.56 1.00 0.00 -1.51 0.00 0.00 177.39 178.11 2cup h ALA 44 N 2.39 0.54 -0.14 -1.18 0.00 -1.90 -3.13 119.26 115.84 2cup h ALA 44 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2cup h ALA 44 Cb 1.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2cup h ALA 44 CO 0.35 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.75 2cup n ASN 45 N -4.72 2.27 -4.56 0.00 3.02 -1.26 -5.00 115.26 105.01 2cup n ASN 45 Ca 0.01 -1.67 -0.24 0.00 -0.03 0.00 0.00 54.58 52.65 2cup n ASN 45 Cb 0.08 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.07 2cup n ASN 45 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2cup s GLU 46 N -0.91 2.01 0.54 3.52 0.41 -1.18 -5.12 118.70 117.97 2cup s GLU 46 Ca 0.16 -1.56 -0.18 0.00 -0.41 0.00 0.00 54.97 52.98 2cup s GLU 46 Cb 0.09 -1.99 -0.06 0.00 -1.78 0.00 0.00 34.13 30.39 2cup s GLU 46 CO 0.13 0.36 1.05 0.99 -0.49 0.00 0.00 175.26 177.30 2cup s THR 47 N -2.35 3.76 0.19 3.63 2.01 -1.26 -4.71 115.64 116.91 2cup s THR 47 Ca 0.30 0.96 -0.03 0.00 0.31 0.00 0.00 61.69 63.23 2cup s THR 47 Cb -0.06 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2cup s THR 47 CO 0.17 -0.37 0.17 0.72 -0.69 0.00 0.00 174.62 174.63 2cup s PHE 48 N -2.20 0.98 -0.02 4.92 -0.71 -1.26 -3.90 117.98 115.80 2cup s PHE 48 Ca 0.66 -1.25 -0.01 0.00 -1.04 0.00 0.00 56.93 55.29 2cup s PHE 48 Cb -0.17 -0.43 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 2cup s PHE 48 CO 0.29 -0.67 0.03 0.08 -1.34 0.00 0.00 175.22 173.61 2cup s VAL 49 N -4.12 -0.03 -0.43 -2.49 1.01 0.10 -4.88 120.40 109.56 2cup s VAL 49 Ca 0.34 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 2cup s VAL 49 Cb 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 36.38 36.40 2cup s VAL 49 CO 0.10 0.04 0.37 0.00 0.00 0.00 0.00 175.10 175.61 2cup s ALA 50 N 0.55 3.48 -0.01 5.51 0.00 -1.26 -1.94 121.76 128.09 2cup s ALA 50 Ca -0.05 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.15 2cup s ALA 50 Cb -0.06 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2cup s ALA 50 CO -0.02 -1.58 0.05 0.15 0.00 0.00 0.00 175.76 174.36 2cup s LYS 51 N 1.85 0.10 -1.50 0.00 1.02 -0.93 -4.86 119.74 115.42 2cup s LYS 51 Ca 0.07 -0.02 -0.13 0.00 0.02 0.00 0.00 55.97 55.91 2cup s LYS 51 Cb -0.20 0.04 0.07 0.00 -0.52 0.00 0.00 37.83 37.23 2cup s LYS 51 CO 0.10 -0.02 1.02 -3.47 -0.92 0.00 0.00 175.35 172.06 2cup n ASP 52 N 2.84 -5.02 -3.33 2.83 2.03 -1.26 -0.91 116.55 113.73 2cup n ASP 52 Ca -0.14 -0.74 -0.24 0.00 0.52 0.00 0.00 54.79 54.20 2cup n ASP 52 Cb 0.59 -4.07 0.01 0.00 -0.72 0.00 0.00 41.12 36.92 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2cup n ASN 53 N -2.87 -4.29 -3.87 1.67 3.02 -1.26 -4.95 115.26 102.71 2cup n ASN 53 Ca 0.03 -0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 54.07 2cup n ASN 53 Cb 0.53 -3.52 -0.14 0.00 -0.61 0.00 0.00 39.78 36.05 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2cup s LYS 54 N -5.99 0.05 -0.10 3.52 1.02 -0.09 -5.14 119.74 113.02 2cup s LYS 54 Ca 0.40 -0.03 -0.23 0.00 0.02 0.00 0.00 55.97 56.12 2cup s LYS 54 Cb -0.20 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 2cup s LYS 54 CO 0.49 -0.01 0.69 0.42 -0.92 0.00 0.00 175.35 176.02 2cup s ILE 55 N -0.13 5.04 0.05 2.17 -1.09 -1.26 -2.18 121.20 123.80 2cup s ILE 55 Ca -0.02 1.39 -0.00 0.00 -2.23 0.00 0.00 60.65 59.79 2cup s ILE 55 Cb -0.01 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2cup s ILE 55 CO -0.00 0.21 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.13 2cup s LEU 56 N 1.10 2.47 0.19 2.97 1.43 -0.82 -2.64 118.68 123.38 2cup s LEU 56 Ca 0.35 -0.95 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2cup s LEU 56 Cb -0.17 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.16 2cup s LEU 56 CO 0.16 -0.55 0.30 0.00 0.23 0.00 0.00 176.35 176.49 2cup h ASN 58 N 1.73 -0.09 -0.62 0.00 7.08 -1.90 0.87 115.58 122.65 2cup h ASN 58 Ca -0.50 0.13 0.13 0.00 -3.08 0.00 0.00 56.30 52.98 2cup h ASN 58 Cb 1.21 0.20 -0.11 0.00 -2.08 0.00 0.00 38.32 37.54 2cup h ASN 58 CO 0.65 -0.04 -0.09 0.11 -2.08 0.00 0.00 177.43 175.98 2cup h LYS 59 N 0.21 0.04 0.44 4.14 1.79 -1.95 -0.60 116.57 120.65 2cup h LYS 59 Ca 0.34 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.78 2cup h LYS 59 Cb 0.54 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2cup h LYS 59 CO -0.47 0.03 -0.21 0.00 -1.08 0.00 0.00 179.45 177.72 2cup n THR 61 N -5.00 -0.37 -1.60 0.00 -2.24 0.17 -4.47 114.28 100.77 2cup n THR 61 Ca -0.07 1.80 -0.45 0.00 -2.27 0.00 0.00 64.05 63.05 2cup n THR 61 Cb 0.23 -2.92 -0.02 0.00 -2.10 0.00 0.00 70.33 65.53 2cup n THR 61 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2cup n THR 62 N -4.99 1.91 -1.69 4.28 -1.04 -0.25 -4.78 114.28 107.71 2cup n THR 62 Ca 0.34 -0.48 -0.52 0.00 -2.04 0.00 0.00 64.05 61.35 2cup n THR 62 Cb 1.15 -1.02 -0.06 0.00 -1.82 0.00 0.00 70.33 68.58 2cup n THR 62 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2cup n ARG 63 N 0.81 1.75 -4.54 -2.82 1.74 -1.26 -4.96 116.66 107.37 2cup n ARG 63 Ca 0.10 0.64 -0.25 0.00 -0.77 0.00 0.00 57.85 57.57 2cup n ARG 63 Cb 0.32 -2.41 -0.11 0.00 -1.02 0.00 0.00 32.46 29.24 2cup n ARG 63 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2cup s GLU 64 N 3.48 1.80 -0.71 5.56 2.02 -1.26 -5.02 118.70 124.57 2cup s GLU 64 Ca 0.93 -1.99 -0.22 0.00 0.02 0.00 0.00 54.97 53.72 2cup s GLU 64 Cb -0.84 -1.37 -0.17 0.00 0.10 0.00 0.00 34.13 31.85 2cup s GLU 64 CO 0.56 -0.05 1.90 -3.47 0.02 0.00 0.00 175.26 174.22 2cup n ASP 65 N -0.82 2.50 -4.16 -0.19 -0.08 -1.26 -4.83 116.55 107.71 2cup n ASP 65 Ca -0.04 -2.64 -0.13 0.00 -1.51 0.00 0.00 54.79 50.46 2cup n ASP 65 Cb 0.66 -1.06 -0.11 0.00 2.34 0.00 0.00 41.12 42.95 2cup n ASP 65 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2cup s SER 66 N 5.07 1.31 1.15 1.67 0.01 -1.26 -5.16 113.70 116.48 2cup s SER 66 Ca 0.57 -0.85 -0.17 0.00 1.31 0.00 0.00 55.95 56.81 2cup s SER 66 Cb 0.14 0.03 0.26 0.00 0.21 0.00 0.00 66.02 66.67 2cup s SER 66 CO 0.13 -0.32 1.11 -2.16 0.41 0.00 0.00 173.24 172.41 2cup s PRO 67 N -2.98 -0.77 0.16 12.44 0.04 -1.26 -4.93 135.00 137.70 2cup s PRO 67 Ca 0.06 0.10 0.02 0.00 0.04 0.00 0.00 61.00 61.22 2cup s PRO 67 Cb -0.01 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 2cup s PRO 67 CO -0.01 -3.44 -0.03 -1.59 0.04 0.00 0.00 177.00 171.97 2cup s LYS 68 N -5.27 1.05 0.34 4.56 -2.85 -1.26 -2.72 119.74 113.58 2cup s LYS 68 Ca 0.69 -1.49 0.07 0.00 -1.00 0.00 0.00 55.97 54.25 2cup s LYS 68 Cb -0.12 -0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 35.30 2cup s LYS 68 CO 0.57 -0.08 0.32 0.00 0.10 0.00 0.00 175.35 176.26 2cup n LYS 70 N -1.42 3.07 -0.04 0.00 0.00 -1.26 -3.27 118.16 115.24 2cup n LYS 70 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 58.31 58.25 2cup n LYS 70 Cb 0.60 -1.14 0.17 0.00 0.00 0.00 0.00 35.03 34.66 2cup n LYS 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2cup h GLY 71 N 1.07 0.68 0.00 3.14 0.00 -1.94 -3.35 103.07 102.67 2cup h GLY 71 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2cup h GLY 71 CO 0.01 0.48 -0.85 0.00 0.00 0.00 0.00 176.54 176.17 2cup n PHE 73 N -1.58 -0.61 -4.34 0.00 7.35 -1.20 -5.05 117.46 112.02 2cup n PHE 73 Ca 0.00 0.24 -0.23 0.00 -0.76 0.00 0.00 57.45 56.70 2cup n PHE 73 Cb 0.26 -2.45 -0.11 0.00 0.35 0.00 0.00 39.48 37.52 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2cup s LYS 74 N -4.73 1.30 -0.02 -4.13 1.02 -1.26 -4.85 119.74 107.07 2cup s LYS 74 Ca 0.06 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.34 2cup s LYS 74 Cb -0.03 -1.43 -0.09 0.00 -0.52 0.00 0.00 37.83 35.77 2cup s LYS 74 CO 0.18 0.30 2.00 0.00 -0.92 0.00 0.00 175.35 176.91 2cup n ALA 75 N 0.37 1.51 -2.05 5.17 0.00 -1.26 -2.42 120.51 121.84 2cup n ALA 75 Ca -0.14 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 2cup n ALA 75 Cb 0.56 -2.69 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 2cup n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cup s ILE 76 N 4.94 4.53 -0.01 0.00 1.01 -1.10 -4.96 121.20 125.61 2cup s ILE 76 Ca 0.91 1.30 -0.01 0.00 0.00 0.00 0.00 60.65 62.85 2cup s ILE 76 Cb -0.46 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2cup s ILE 76 CO 0.43 0.09 0.10 -0.69 0.00 0.00 0.00 174.94 174.86 2cup s VAL 77 N -1.67 4.88 0.06 2.92 1.01 -1.26 -4.46 120.40 121.88 2cup s VAL 77 Ca 0.47 -0.35 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 2cup s VAL 77 Cb -0.15 -3.24 -0.16 0.00 0.00 0.00 0.00 36.38 32.83 2cup s VAL 77 CO 0.20 0.35 1.59 0.00 0.00 0.00 0.00 175.10 177.24 2cup h ALA 78 N 4.07 0.03 -0.03 5.51 0.00 -2.00 -3.02 119.26 123.82 2cup h ALA 78 Ca -0.49 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 2cup h ALA 78 Cb 1.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2cup h ALA 78 CO 0.63 -0.39 -0.16 0.41 0.00 0.00 0.00 179.25 179.74 2cup n GLY 79 N -0.66 2.84 2.93 0.00 0.00 -1.26 -4.77 105.19 104.27 2cup n GLY 79 Ca -0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2cup n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cup s ASP 80 N 1.89 -0.10 -0.25 1.61 1.01 -1.14 -5.11 116.67 114.59 2cup s ASP 80 Ca 0.34 0.26 -0.37 0.00 0.71 0.00 0.00 52.55 53.50 2cup s ASP 80 Cb 0.17 0.18 -0.13 0.00 1.01 0.00 0.00 42.92 44.15 2cup s ASP 80 CO -0.01 -0.12 1.95 0.00 0.21 0.00 0.00 175.17 177.20 2cup n GLN 81 N 3.93 1.44 -4.16 8.23 10.64 -1.26 -4.86 117.38 131.34 2cup n GLN 81 Ca -0.23 0.49 -0.10 0.00 -1.83 0.00 0.00 57.00 55.33 2cup n GLN 81 Cb 0.53 -2.40 -0.10 0.00 -0.86 0.00 0.00 30.24 27.41 2cup n GLN 81 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2cup s ASN 82 N 5.07 0.96 -0.27 2.61 0.01 -1.26 -1.85 114.94 120.21 2cup s ASN 82 Ca 1.01 -1.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.15 2cup s ASN 82 Cb -0.88 0.13 0.06 0.00 0.41 0.00 0.00 41.25 40.98 2cup s ASN 82 CO 0.56 -0.52 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.85 2cup s VAL 83 N -3.72 2.06 -0.23 1.60 1.01 0.11 -4.71 120.40 116.52 2cup s VAL 83 Ca 0.13 -1.65 -0.16 0.00 0.00 0.00 0.00 61.98 60.30 2cup s VAL 83 Cb 0.06 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2cup s VAL 83 CO -0.05 -0.11 0.42 -0.70 0.00 0.00 0.00 175.10 174.66 2cup s GLU 84 N 1.13 4.12 -0.08 2.72 2.12 -1.26 0.14 118.70 127.59 2cup s GLU 84 Ca -0.06 0.20 -0.04 0.00 0.36 0.00 0.00 54.97 55.42 2cup s GLU 84 Cb -0.20 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.65 2cup s GLU 84 CO -0.06 -0.15 0.19 -0.47 -0.54 0.00 0.00 175.26 174.23 2cup s TYR 85 N 1.68 -0.24 -1.58 5.30 6.14 0.94 -4.88 117.35 124.70 2cup s TYR 85 Ca 0.19 0.61 -0.12 0.00 0.64 0.00 0.00 57.07 58.39 2cup s TYR 85 Cb -0.15 -0.01 0.10 0.00 0.42 0.00 0.00 41.96 42.32 2cup s TYR 85 CO 0.09 -0.19 0.69 1.17 0.64 0.00 0.00 175.55 177.96 2cup n LYS 86 N 4.06 -3.54 0.00 4.97 4.81 -1.26 -1.10 118.16 126.10 2cup n LYS 86 Ca -0.24 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2cup n LYS 86 Cb 0.53 -4.97 0.00 0.00 0.02 0.00 0.00 35.03 30.62 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2cup n GLY 87 N -1.63 1.89 3.70 3.14 0.00 -1.26 -4.96 105.19 106.06 2cup n GLY 87 Ca -0.06 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2cup n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cup s THR 88 N -0.07 4.64 -0.23 2.61 -4.23 -0.26 -5.02 115.64 113.08 2cup s THR 88 Ca 0.00 1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 62.37 2cup s THR 88 Cb 0.00 -4.22 -0.01 0.00 1.34 0.00 0.00 72.50 69.61 2cup s THR 88 CO 0.00 0.08 -0.02 0.54 -0.54 0.00 0.00 174.62 174.68 2cup s VAL 89 N 1.51 3.55 -0.14 2.29 0.11 -1.26 -0.04 120.40 126.42 2cup s VAL 89 Ca 0.52 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 59.04 2cup s VAL 89 Cb -0.22 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.95 2cup s VAL 89 CO 0.24 0.39 0.13 0.26 -3.33 0.00 0.00 175.10 172.78 2cup s TRP 90 N 1.50 3.51 0.29 1.54 0.52 0.38 -4.30 118.94 122.39 2cup s TRP 90 Ca 0.06 0.44 -0.27 0.00 0.02 0.00 0.00 56.10 56.34 2cup s TRP 90 Cb -0.15 -2.00 -0.14 0.00 -1.15 0.00 0.00 33.47 30.03 2cup s TRP 90 CO -0.02 0.57 0.88 0.72 0.02 0.00 0.00 176.95 179.13 2cup n HIS 91 N 2.50 0.80 -0.53 -1.98 8.25 -1.26 0.04 115.22 123.04 2cup n HIS 91 Ca -0.19 0.73 0.43 0.00 -0.26 0.00 0.00 57.72 58.44 2cup n HIS 91 Cb 0.54 -2.17 0.75 0.00 1.12 0.00 0.00 29.99 30.22 2cup n HIS 91 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2cup h LYS 92 N 1.68 0.04 0.08 -0.41 1.63 -1.65 0.49 116.57 118.44 2cup h LYS 92 Ca -0.38 -0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.26 2cup h LYS 92 Cb 1.36 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.99 2cup h LYS 92 CO 0.59 0.02 -0.77 0.38 -3.45 0.00 0.00 179.45 176.23 2cup h ASP 93 N 0.04 0.28 -0.82 4.20 2.03 -1.85 -3.35 116.42 116.95 2cup h ASP 93 Ca 0.80 -0.90 0.04 0.00 -0.73 0.00 0.00 57.03 56.23 2cup h ASP 93 Cb 2.99 -0.09 -0.05 0.00 -0.83 0.00 0.00 39.33 41.35 2cup h ASP 93 CO -0.13 1.35 0.52 0.00 -1.03 0.00 0.00 179.24 179.94 2cup n PHE 95 N -4.59 3.59 -1.37 0.00 -0.00 0.63 -4.77 117.46 110.94 2cup n PHE 95 Ca 0.10 -2.21 -0.27 0.00 -0.00 0.00 0.00 57.45 55.07 2cup n PHE 95 Cb 0.11 -2.56 -0.00 0.00 -0.00 0.00 0.00 39.48 37.02 2cup n PHE 95 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2cup n SER 96 N 10.60 6.75 0.00 -2.13 7.64 -1.25 -4.93 113.62 130.30 2cup n SER 96 Ca 0.48 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 57.04 2cup n SER 96 Cb 0.45 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2cup n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 97 N 0.35 0.99 3.77 0.23 0.00 -1.26 -4.96 105.19 104.30 2cup n GLY 97 Ca 0.46 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 2cup n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cup s PRO 98 N 0.00 4.44 0.23 1.61 0.04 -1.26 -5.04 135.00 135.01 2cup s PRO 98 Ca 0.00 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 2cup s PRO 98 Cb 0.00 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 2cup s PRO 98 CO 0.00 -0.05 0.23 -1.54 0.04 0.00 0.00 177.00 175.68 2cup s SER 99 N -0.68 0.29 -0.02 6.66 1.04 -1.26 -5.11 113.70 114.61 2cup s SER 99 Ca 0.48 -1.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.56 2cup s SER 99 Cb -0.36 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.22 2cup s SER 99 CO 0.48 -0.94 0.05 -0.55 0.98 0.00 0.00 173.24 173.25 2cup s SER 100 N -3.16 -0.01 0.00 7.02 0.15 -1.26 -5.23 113.70 111.21 2cup s SER 100 Ca 0.36 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2cup s SER 100 Cb 0.05 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2cup s SER 100 CO 0.13 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.11