#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup n SER 2 N 0.00 -1.22 -4.56 1.61 7.64 -1.26 -4.87 113.62 110.96 2cup n SER 2 Ca 0.00 0.53 -0.42 0.00 1.01 0.00 0.00 58.87 59.99 2cup n SER 2 Cb 0.00 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 61.93 2cup n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cup s SER 3 N -1.65 6.37 0.00 6.43 1.04 -1.26 -4.71 113.70 119.92 2cup s SER 3 Ca 0.64 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2cup s SER 3 Cb -0.31 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.28 2cup s SER 3 CO 0.60 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2cup n GLY 4 N 5.14 -0.66 0.07 7.32 0.00 -1.26 -5.08 105.19 110.72 2cup n GLY 4 Ca 0.06 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 2cup n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cup h SER 5 N 0.00 -0.03 -1.91 1.61 0.87 -1.97 -3.47 113.55 108.66 2cup h SER 5 Ca 0.00 -0.45 -0.62 0.00 -1.23 0.00 0.00 61.79 59.49 2cup h SER 5 Cb 0.00 0.01 0.14 0.00 -0.44 0.00 0.00 62.40 62.10 2cup h SER 5 CO 0.00 0.67 -0.49 -1.20 -0.53 0.00 0.00 176.83 175.29 2cup n SER 6 N -4.74 -1.14 -1.95 6.23 7.64 -1.26 -4.96 113.62 113.44 2cup n SER 6 Ca -0.05 0.97 -0.03 0.00 1.01 0.00 0.00 58.87 60.77 2cup n SER 6 Cb 0.23 -1.05 0.01 0.00 -1.01 0.00 0.00 64.21 62.40 2cup n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 7 N 1.89 1.30 3.88 0.23 0.00 -1.26 -3.85 105.19 107.37 2cup n GLY 7 Ca 0.13 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 1.22 0.12 -0.08 0.00 0.24 -1.22 -2.44 118.33 116.17 2cup n VAL 9 Ca -0.12 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 61.84 2cup n VAL 9 Cb 0.53 0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 33.16 2cup n VAL 9 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2cup h GLU 10 N 0.00 0.00 -0.00 7.34 4.39 -1.94 -3.38 114.58 120.98 2cup h GLU 10 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cup h GLU 10 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2cup h GLU 10 CO 0.00 0.35 -0.45 0.00 -1.16 0.00 0.00 179.01 177.75 2cup n ARG 12 N -1.17 -1.70 -4.21 0.00 5.12 -1.02 -4.97 116.66 108.72 2cup n ARG 12 Ca 0.08 1.00 -0.25 0.00 -1.93 0.00 0.00 57.85 56.74 2cup n ARG 12 Cb 0.34 -5.59 -0.07 0.00 -1.16 0.00 0.00 32.46 25.98 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2cup s LYS 13 N -4.75 2.48 0.40 5.56 1.02 -1.24 -4.83 119.74 118.38 2cup s LYS 13 Ca 0.00 -1.15 -0.25 0.00 0.02 0.00 0.00 55.97 54.58 2cup s LYS 13 Cb 0.00 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 2cup s LYS 13 CO 0.00 0.43 1.19 -1.25 -0.92 0.00 0.00 175.35 174.80 2cup s PRO 14 N -3.23 4.03 0.04 -1.68 0.04 -1.26 0.06 135.00 133.00 2cup s PRO 14 Ca 0.29 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2cup s PRO 14 Cb -0.09 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 2cup s PRO 14 CO 0.20 -0.36 -0.07 0.42 0.04 0.00 0.00 177.00 177.24 2cup s ILE 15 N -1.40 3.63 0.19 0.56 1.01 -1.25 -4.82 121.20 119.12 2cup s ILE 15 Ca 0.57 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2cup s ILE 15 Cb -0.32 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 2cup s ILE 15 CO 0.40 0.29 0.32 -0.83 0.00 0.00 0.00 174.94 175.11 2cup s GLY 16 N -1.74 1.50 0.05 6.18 0.00 -1.26 -4.86 107.32 107.20 2cup s GLY 16 Ca 0.19 -1.12 -0.19 0.00 0.00 0.00 0.00 44.72 43.61 2cup s GLY 16 CO 0.11 -1.12 1.33 0.00 0.00 0.00 0.00 173.10 173.42 2cup h ALA 17 N 1.73 0.26 -0.37 3.20 0.00 -2.01 -3.06 119.26 119.01 2cup h ALA 17 Ca -0.50 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.13 2cup h ALA 17 Cb 1.21 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2cup h ALA 17 CO 0.65 0.23 0.26 0.38 0.00 0.00 0.00 179.25 180.78 2cup h ASP 18 N 0.11 0.06 -3.40 0.00 3.04 -2.06 -3.41 116.42 110.77 2cup h ASP 18 Ca 0.02 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.26 2cup h ASP 18 Cb 0.81 -0.01 -0.03 0.00 -1.04 0.00 0.00 39.33 39.06 2cup h ASP 18 CO 0.06 0.04 0.29 -0.44 -2.04 0.00 0.00 179.24 177.15 2cup s SER 19 N -6.50 7.27 -0.43 4.15 0.01 -1.16 -4.97 113.70 112.07 2cup s SER 19 Ca -0.05 1.53 -0.27 0.00 1.31 0.00 0.00 55.95 58.47 2cup s SER 19 Cb 0.19 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2cup s SER 19 CO 0.71 -0.22 2.03 -0.54 0.41 0.00 0.00 173.24 175.64 2cup s LYS 20 N 0.96 2.79 0.44 12.44 1.02 -1.26 -4.77 119.74 131.35 2cup s LYS 20 Ca 0.48 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.83 2cup s LYS 20 Cb -0.20 -4.38 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 2cup s LYS 20 CO 0.25 -2.51 0.47 -1.83 -0.92 0.00 0.00 175.35 170.82 2cup s GLU 21 N 6.82 2.59 -0.30 1.68 1.03 -1.26 -3.81 118.70 125.44 2cup s GLU 21 Ca 0.84 -1.48 0.03 0.00 0.03 0.00 0.00 54.97 54.39 2cup s GLU 21 Cb -0.20 -2.50 0.08 0.00 -0.80 0.00 0.00 34.13 30.71 2cup s GLU 21 CO 0.28 -0.30 -0.00 0.08 -1.33 0.00 0.00 175.26 173.99 2cup s VAL 22 N -2.47 2.07 -0.37 1.83 1.01 -0.91 -4.97 120.40 116.60 2cup s VAL 22 Ca 0.50 -1.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.32 2cup s VAL 22 Cb -0.05 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.93 2cup s VAL 22 CO 0.30 -0.39 0.66 -2.28 0.00 0.00 0.00 175.10 173.39 2cup s HIS 23 N 1.06 3.13 -0.17 5.22 5.04 -1.26 -2.31 115.29 126.00 2cup s HIS 23 Ca 0.03 0.32 -0.11 0.00 -1.54 0.00 0.00 55.06 53.76 2cup s HIS 23 Cb -0.19 -3.21 0.05 0.00 0.04 0.00 0.00 32.58 29.28 2cup s HIS 23 CO -0.08 -0.68 0.43 -0.47 -2.34 0.00 0.00 174.74 171.60 2cup s TYR 24 N 2.78 -0.59 -1.29 3.88 5.04 -0.92 -4.92 117.35 121.34 2cup s TYR 24 Ca 0.25 1.29 -0.05 0.00 -2.44 0.00 0.00 57.07 56.12 2cup s TYR 24 Cb -0.14 0.25 0.01 0.00 0.35 0.00 0.00 41.96 42.43 2cup s TYR 24 CO 0.16 -0.32 1.09 1.63 -1.34 0.00 0.00 175.55 176.76 2cup n LYS 25 N 3.85 -7.24 -2.31 4.97 4.76 -1.26 -1.58 118.16 119.37 2cup n LYS 25 Ca -0.20 0.83 -0.18 0.00 -2.87 0.00 0.00 58.31 55.88 2cup n LYS 25 Cb 0.56 -5.86 -0.02 0.00 -1.84 0.00 0.00 35.03 27.88 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cup n ASN 26 N -3.07 -5.27 -3.91 4.39 3.02 -1.26 -4.95 115.26 104.21 2cup n ASN 26 Ca -0.14 0.10 -0.26 0.00 -0.03 0.00 0.00 54.58 54.25 2cup n ASN 26 Cb 0.61 -4.44 -0.07 0.00 -0.61 0.00 0.00 39.78 35.28 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2cup n ARG 27 N -2.86 0.63 -3.67 3.52 1.74 -0.61 -5.12 116.66 110.29 2cup n ARG 27 Ca -0.21 -3.37 -0.10 0.00 -0.77 0.00 0.00 57.85 53.40 2cup n ARG 27 Cb 0.66 1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 33.69 2cup n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2cup s PHE 28 N -2.99 -0.79 0.09 -1.55 0.08 -1.25 -2.15 117.98 109.41 2cup s PHE 28 Ca 0.17 1.66 0.08 0.00 0.12 0.00 0.00 56.93 58.96 2cup s PHE 28 Cb 0.01 0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.83 2cup s PHE 28 CO 0.12 -0.41 -0.21 -1.58 -0.10 0.00 0.00 175.22 173.04 2cup s TRP 29 N 1.31 1.76 0.68 0.36 0.51 -0.98 -3.43 118.94 119.15 2cup s TRP 29 Ca -0.08 -0.41 -0.13 0.00 -2.12 0.00 0.00 56.10 53.35 2cup s TRP 29 Cb -0.06 -0.98 0.01 0.00 -0.81 0.00 0.00 33.47 31.62 2cup s TRP 29 CO -0.13 0.18 1.09 -1.01 -0.51 0.00 0.00 176.95 176.57 2cup s HIS 30 N -1.11 2.77 -0.72 -1.98 3.76 -1.26 -2.14 115.29 114.60 2cup s HIS 30 Ca 0.06 1.52 0.05 0.00 -0.15 0.00 0.00 55.06 56.55 2cup s HIS 30 Cb -0.10 -3.06 0.28 0.00 1.11 0.00 0.00 32.58 30.82 2cup s HIS 30 CO 0.04 -1.51 1.13 -3.47 -0.85 0.00 0.00 174.74 170.07 2cup n ASP 31 N -2.69 0.13 -0.00 1.40 -0.08 -1.25 -0.57 116.55 113.49 2cup n ASP 31 Ca 0.09 0.53 0.04 0.00 -1.51 0.00 0.00 54.79 53.94 2cup n ASP 31 Cb 0.53 -0.54 -0.05 0.00 2.34 0.00 0.00 41.12 43.39 2cup n ASP 31 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2cup n THR 32 N -1.66 0.00 -0.07 5.18 -2.24 -1.26 -4.68 114.28 109.55 2cup n THR 32 Ca -0.00 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 2cup n THR 32 Cb 0.05 0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 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 -4.14 1.43 -3.78 0.00 7.35 0.16 -4.86 117.46 113.62 2cup n PHE 34 Ca -0.31 0.13 -0.08 0.00 -0.76 0.00 0.00 57.45 56.43 2cup n PHE 34 Cb 0.79 -2.60 -0.02 0.00 0.35 0.00 0.00 39.48 38.00 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 7.75 1.68 1.15 -4.13 1.70 -1.26 -3.62 118.95 122.22 2cup s ARG 35 Ca 1.06 -0.89 -0.13 0.00 -0.47 0.00 0.00 55.73 55.30 2cup s ARG 35 Cb -0.45 0.60 0.27 0.00 -0.57 0.00 0.00 34.95 34.80 2cup s ARG 35 CO 0.34 -0.77 1.04 0.00 -1.08 0.00 0.00 175.30 174.83 2cup n ALA 37 N -4.85 3.06 -0.11 0.00 0.00 -1.11 -3.58 120.51 113.92 2cup n ALA 37 Ca 0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 2cup n ALA 37 Cb 0.54 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.20 0.47 0.00 0.00 4.81 -1.26 -4.66 118.16 116.32 2cup n LYS 38 Ca 0.01 0.17 0.08 0.00 -0.87 0.00 0.00 58.31 57.70 2cup n LYS 38 Cb 0.13 -1.31 -0.06 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.98 -3.41 -4.59 0.00 7.99 -1.24 -4.95 117.00 109.82 2cup n LEU 40 Ca 0.04 -0.63 -0.34 0.00 -0.01 0.00 0.00 56.01 55.07 2cup n LEU 40 Cb 0.27 -2.95 -0.11 0.00 -0.11 0.00 0.00 43.42 40.53 2cup n LEU 40 CO 0.28 0.52 -0.29 -2.28 -1.51 0.00 0.00 177.39 174.12 2cup s HIS 41 N -3.37 3.17 -0.04 -1.77 2.46 -1.26 -4.65 115.29 109.83 2cup s HIS 41 Ca 0.38 -0.06 -0.30 0.00 0.47 0.00 0.00 55.06 55.55 2cup s HIS 41 Cb -0.17 -2.02 -0.05 0.00 -0.13 0.00 0.00 32.58 30.21 2cup s HIS 41 CO 0.76 0.10 1.48 -1.25 -2.47 0.00 0.00 174.74 173.36 2cup s PRO 42 N 0.30 4.23 -0.10 2.88 0.04 -1.26 0.30 135.00 141.39 2cup s PRO 42 Ca 0.01 2.02 0.13 0.00 0.04 0.00 0.00 61.00 63.20 2cup s PRO 42 Cb -0.13 -3.74 0.57 0.00 0.04 0.00 0.00 34.50 31.24 2cup s PRO 42 CO 0.01 -0.70 1.43 1.28 0.04 0.00 0.00 177.00 179.07 2cup n LEU 43 N 6.16 3.92 -0.29 -3.56 7.99 -1.24 -4.40 117.00 125.58 2cup n LEU 43 Ca 0.15 -1.98 0.13 0.00 -0.01 0.00 0.00 56.01 54.30 2cup n LEU 43 Cb 0.43 -0.53 0.38 0.00 -0.11 0.00 0.00 43.42 43.59 2cup n LEU 43 CO 0.60 0.63 1.22 0.00 -1.51 0.00 0.00 177.39 178.32 2cup h ALA 44 N 3.74 1.84 -0.00 -1.18 0.00 -1.91 -2.48 119.26 119.27 2cup h ALA 44 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cup h ALA 44 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2cup h ALA 44 CO 0.22 -0.11 -0.13 0.27 0.00 0.00 0.00 179.25 179.50 2cup n ASN 45 N -4.59 0.68 -4.51 0.00 0.23 -1.26 -5.02 115.26 100.79 2cup n ASN 45 Ca 0.19 -0.84 -0.28 0.00 -0.53 0.00 0.00 54.58 53.12 2cup n ASN 45 Cb 0.51 0.61 -0.11 0.00 -2.08 0.00 0.00 39.78 38.71 2cup n ASN 45 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2cup s GLU 46 N -1.03 1.84 0.60 -3.83 2.12 -0.93 -5.11 118.70 112.36 2cup s GLU 46 Ca 0.03 -1.28 -0.19 0.00 0.36 0.00 0.00 54.97 53.89 2cup s GLU 46 Cb 0.04 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 2cup s GLU 46 CO 0.13 0.45 1.17 0.25 -0.54 0.00 0.00 175.26 176.73 2cup n THR 47 N 0.41 4.10 -4.24 -1.70 -2.24 -1.26 -4.50 114.28 104.84 2cup n THR 47 Ca -0.13 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.00 2cup n THR 47 Cb 0.54 -1.39 -0.10 0.00 -2.10 0.00 0.00 70.33 67.28 2cup n THR 47 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2cup s PHE 48 N -1.40 1.28 0.08 4.78 -0.12 -1.26 -4.48 117.98 116.85 2cup s PHE 48 Ca 0.76 -0.71 0.04 0.00 -0.05 0.00 0.00 56.93 56.98 2cup s PHE 48 Cb -0.41 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.30 2cup s PHE 48 CO 0.46 0.09 -0.12 0.08 -0.05 0.00 0.00 175.22 175.68 2cup s VAL 49 N -3.06 1.03 -0.29 -2.49 1.01 0.25 -4.93 120.40 111.91 2cup s VAL 49 Ca 0.15 -1.42 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2cup s VAL 49 Cb 0.01 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.30 2cup s VAL 49 CO 0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 175.10 174.71 2cup s ALA 50 N -1.71 2.70 -0.00 5.51 0.00 -1.26 -0.54 121.76 126.46 2cup s ALA 50 Ca 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.08 2cup s ALA 50 Cb -0.07 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 2cup s ALA 50 CO 0.02 -1.29 0.03 0.15 0.00 0.00 0.00 175.76 174.66 2cup s LYS 51 N 1.13 0.19 -1.40 0.00 -0.14 -0.75 -4.87 119.74 113.90 2cup s LYS 51 Ca -0.05 -0.22 -0.08 0.00 -1.36 0.00 0.00 55.97 54.26 2cup s LYS 51 Cb -0.20 0.07 0.04 0.00 -1.68 0.00 0.00 37.83 36.06 2cup s LYS 51 CO -0.04 -0.03 0.95 -3.47 -0.76 0.00 0.00 175.35 172.00 2cup n ASP 52 N 2.38 -3.86 -3.43 2.83 2.03 -1.26 -1.26 116.55 113.98 2cup n ASP 52 Ca -0.17 -0.72 -0.24 0.00 0.52 0.00 0.00 54.79 54.18 2cup n ASP 52 Cb 0.58 -4.32 -0.01 0.00 -0.72 0.00 0.00 41.12 36.65 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 -2.97 -3.36 -3.81 1.67 3.02 -1.26 -4.92 115.26 103.63 2cup n ASN 53 Ca -0.09 -0.42 -0.12 0.00 -0.03 0.00 0.00 54.58 53.91 2cup n ASN 53 Cb 0.59 -2.80 -0.10 0.00 -0.61 0.00 0.00 39.78 36.86 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 -6.07 0.49 -0.03 3.52 1.02 -0.39 -5.14 119.74 113.14 2cup s LYS 54 Ca 0.42 -0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 2cup s LYS 54 Cb -0.23 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.28 2cup s LYS 54 CO 0.52 -0.12 1.01 0.42 -0.92 0.00 0.00 175.35 176.26 2cup s ILE 55 N -0.96 4.76 0.02 2.17 -1.09 -1.26 -1.81 121.20 123.03 2cup s ILE 55 Ca -0.10 1.99 -0.02 0.00 -2.23 0.00 0.00 60.65 60.29 2cup s ILE 55 Cb -0.05 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 2cup s ILE 55 CO 0.02 0.10 0.01 -0.76 -1.23 0.00 0.00 174.94 173.08 2cup s LEU 56 N 1.40 2.11 0.19 2.97 1.43 0.30 -2.76 118.68 124.31 2cup s LEU 56 Ca 0.51 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2cup s LEU 56 Cb -0.21 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.24 2cup s LEU 56 CO 0.24 -0.38 0.34 0.00 0.23 0.00 0.00 176.35 176.79 2cup h ASN 58 N 1.89 -1.31 -1.25 0.00 7.08 -1.92 0.35 115.58 120.42 2cup h ASN 58 Ca -0.49 0.23 0.43 0.00 -3.08 0.00 0.00 56.30 53.39 2cup h ASN 58 Cb 1.20 0.62 -0.14 0.00 -2.08 0.00 0.00 38.32 37.92 2cup h ASN 58 CO 0.67 -0.32 0.79 0.11 -2.08 0.00 0.00 177.43 176.59 2cup h LYS 59 N -0.21 0.08 0.00 4.14 1.57 -1.95 0.32 116.57 120.52 2cup h LYS 59 Ca 0.20 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2cup h LYS 59 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2cup h LYS 59 CO -0.66 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.27 2cup n THR 61 N -2.07 -0.37 -0.49 0.00 -2.24 -0.04 -4.46 114.28 104.60 2cup n THR 61 Ca 0.00 1.86 -0.14 0.00 -2.27 0.00 0.00 64.05 63.50 2cup n THR 61 Cb 0.00 -2.88 0.14 0.00 -2.10 0.00 0.00 70.33 65.49 2cup n THR 61 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cup n THR 62 N -5.12 0.00 -0.72 4.28 -2.24 0.11 -4.83 114.28 105.75 2cup n THR 62 Ca 0.28 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.77 2cup n THR 62 Cb 0.94 -0.46 0.12 0.00 -2.10 0.00 0.00 70.33 68.83 2cup n THR 62 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2cup n ARG 63 N -1.15 -1.30 -3.10 -0.78 1.85 -1.26 -4.04 116.66 106.88 2cup n ARG 63 Ca 0.06 -0.37 -0.14 0.00 -1.00 0.00 0.00 57.85 56.40 2cup n ARG 63 Cb 0.28 -1.43 0.06 0.00 -1.05 0.00 0.00 32.46 30.32 2cup n ARG 63 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2cup n GLU 64 N -0.62 -4.90 -3.78 2.89 1.02 -1.26 -4.91 120.64 109.07 2cup n GLU 64 Ca 0.01 0.56 -0.29 0.00 -0.02 0.00 0.00 57.16 57.42 2cup n GLU 64 Cb 0.56 -4.76 -0.13 0.00 -0.02 0.00 0.00 31.44 27.08 2cup n GLU 64 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2cup s ASP 65 N -3.56 3.85 0.13 1.62 -1.08 -1.26 -5.04 116.67 111.33 2cup s ASP 65 Ca 0.20 -2.86 -0.22 0.00 -0.52 0.00 0.00 52.55 49.15 2cup s ASP 65 Cb -0.09 -1.23 -0.13 0.00 -1.46 0.00 0.00 42.92 40.01 2cup s ASP 65 CO 0.49 -0.24 0.44 -0.24 0.52 0.00 0.00 175.17 176.14 2cup n SER 66 N 3.26 -0.81 -3.71 -0.34 2.88 -1.26 -4.91 113.62 108.72 2cup n SER 66 Ca 0.09 0.84 -0.30 0.00 -1.33 0.00 0.00 58.87 58.17 2cup n SER 66 Cb 0.34 -0.70 0.25 0.00 -0.75 0.00 0.00 64.21 63.35 2cup n SER 66 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2cup s PRO 67 N -0.65 -1.41 0.08 -1.46 0.04 -1.26 -4.90 135.00 125.44 2cup s PRO 67 Ca 0.50 -0.13 0.05 0.00 0.04 0.00 0.00 61.00 61.45 2cup s PRO 67 Cb -0.72 -1.58 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2cup s PRO 67 CO 0.42 -3.82 -0.13 0.15 0.04 0.00 0.00 177.00 173.65 2cup s LYS 68 N -5.46 0.83 0.38 4.56 1.02 -1.26 -2.85 119.74 116.97 2cup s LYS 68 Ca 0.72 -1.01 0.05 0.00 0.02 0.00 0.00 55.97 55.74 2cup s LYS 68 Cb -0.09 -0.77 -0.00 0.00 -0.52 0.00 0.00 37.83 36.45 2cup s LYS 68 CO 0.56 0.16 0.55 0.00 -0.92 0.00 0.00 175.35 175.70 2cup n LYS 70 N -1.81 0.97 0.01 0.00 0.00 -1.26 -3.33 118.16 112.75 2cup n LYS 70 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 58.31 58.16 2cup n LYS 70 Cb 0.58 -1.12 -0.01 0.00 0.00 0.00 0.00 35.03 34.48 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 0.94 0.64 0.00 3.14 0.00 -1.93 -3.37 103.07 102.49 2cup h GLY 71 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.42 2cup h GLY 71 CO 0.00 0.78 -0.19 0.00 0.00 0.00 0.00 176.54 177.13 2cup n PHE 73 N -0.81 -1.95 -4.09 0.00 3.72 -1.21 -5.04 117.46 108.08 2cup n PHE 73 Ca 0.00 0.77 -0.13 0.00 -0.05 0.00 0.00 57.45 58.04 2cup n PHE 73 Cb 0.00 -4.35 -0.11 0.00 -0.94 0.00 0.00 39.48 34.08 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2cup s LYS 74 N -4.79 0.60 0.12 -1.08 -0.14 -1.26 -4.86 119.74 108.32 2cup s LYS 74 Ca 0.15 -0.85 -0.33 0.00 -1.36 0.00 0.00 55.97 53.58 2cup s LYS 74 Cb -0.02 -0.34 -0.12 0.00 -1.68 0.00 0.00 37.83 35.67 2cup s LYS 74 CO 0.62 0.06 1.75 0.00 -0.76 0.00 0.00 175.35 177.01 2cup n ALA 75 N 1.25 1.83 -2.37 5.17 0.00 -1.26 -2.33 120.51 122.80 2cup n ALA 75 Ca -0.21 0.36 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 2cup n ALA 75 Cb 0.55 -2.49 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 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 2.11 4.82 0.21 0.00 1.01 -1.13 -4.95 121.20 123.28 2cup s ILE 76 Ca 0.81 1.21 -0.19 0.00 0.00 0.00 0.00 60.65 62.48 2cup s ILE 76 Cb -0.58 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 37.91 2cup s ILE 76 CO 0.39 0.50 0.71 -0.69 0.00 0.00 0.00 174.94 175.84 2cup s VAL 77 N -0.70 4.59 0.08 2.92 1.01 -1.26 -4.46 120.40 122.59 2cup s VAL 77 Ca 0.30 1.26 -0.36 0.00 0.00 0.00 0.00 61.98 63.17 2cup s VAL 77 Cb -0.19 -3.86 -0.18 0.00 0.00 0.00 0.00 36.38 32.15 2cup s VAL 77 CO 0.18 0.24 1.56 0.00 0.00 0.00 0.00 175.10 177.08 2cup h ALA 78 N 3.51 -1.17 0.00 5.51 0.00 -2.01 -2.78 119.26 122.32 2cup h ALA 78 Ca -0.48 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 2cup h ALA 78 Cb 1.19 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 2cup h ALA 78 CO 0.65 -1.19 -0.33 0.41 0.00 0.00 0.00 179.25 178.79 2cup n GLY 79 N -1.58 2.86 2.67 0.00 0.00 -1.26 -4.71 105.19 103.17 2cup n GLY 79 Ca -0.13 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 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 2.07 1.86 -0.38 1.61 1.11 -1.05 -5.10 116.67 116.79 2cup s ASP 80 Ca 0.62 -0.37 -0.38 0.00 0.18 0.00 0.00 52.55 52.61 2cup s ASP 80 Cb 0.30 -0.05 -0.16 0.00 1.07 0.00 0.00 42.92 44.07 2cup s ASP 80 CO 0.00 -0.32 1.27 0.00 1.18 0.00 0.00 175.17 177.29 2cup n GLN 81 N 5.29 0.00 -4.15 8.23 3.00 -1.26 -4.81 117.38 123.68 2cup n GLN 81 Ca -0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.83 2cup n GLN 81 Cb 0.49 -1.22 -0.10 0.00 0.00 0.00 0.00 30.24 29.41 2cup n GLN 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2cup s ASN 82 N 2.25 0.99 -0.27 1.08 2.20 -1.26 -2.19 114.94 117.74 2cup s ASN 82 Ca 0.85 -1.00 0.03 0.00 -0.94 0.00 0.00 52.86 51.79 2cup s ASN 82 Cb -1.21 0.12 0.07 0.00 -2.00 0.00 0.00 41.25 38.23 2cup s ASN 82 CO 0.65 -0.49 -0.06 -0.69 -2.94 0.00 0.00 177.10 173.57 2cup s VAL 83 N -3.65 2.01 -0.24 3.54 1.01 0.11 -4.72 120.40 118.46 2cup s VAL 83 Ca 0.10 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.26 2cup s VAL 83 Cb 0.06 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2cup s VAL 83 CO -0.06 -0.17 0.37 -0.70 0.00 0.00 0.00 175.10 174.55 2cup s GLU 84 N 1.14 4.08 -0.05 2.72 2.12 -1.26 0.15 118.70 127.60 2cup s GLU 84 Ca -0.04 0.09 -0.02 0.00 0.36 0.00 0.00 54.97 55.36 2cup s GLU 84 Cb -0.19 -3.61 0.04 0.00 0.26 0.00 0.00 34.13 30.63 2cup s GLU 84 CO -0.06 -0.17 0.10 -0.47 -0.54 0.00 0.00 175.26 174.11 2cup s TYR 85 N 1.74 -0.09 -1.61 5.30 5.04 0.90 -4.87 117.35 123.78 2cup s TYR 85 Ca 0.16 0.34 -0.14 0.00 -2.44 0.00 0.00 57.07 54.99 2cup s TYR 85 Cb -0.15 -0.15 0.11 0.00 0.35 0.00 0.00 41.96 42.12 2cup s TYR 85 CO 0.09 -0.14 0.78 1.63 -1.34 0.00 0.00 175.55 176.58 2cup n LYS 86 N 4.20 -3.87 0.00 4.97 5.02 -1.26 -1.26 118.16 125.96 2cup n LYS 86 Ca -0.27 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2cup n LYS 86 Cb 0.51 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cup n GLY 87 N -1.57 2.11 3.70 0.72 0.00 -1.26 -4.97 105.19 103.92 2cup n GLY 87 Ca 0.00 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.03 4.54 -0.19 2.61 -4.23 -0.39 -5.01 115.64 112.95 2cup s THR 88 Ca 0.00 1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 62.31 2cup s THR 88 Cb 0.00 -4.17 -0.02 0.00 1.34 0.00 0.00 72.50 69.65 2cup s THR 88 CO 0.00 0.06 -0.05 0.54 -0.54 0.00 0.00 174.62 174.63 2cup s VAL 89 N 1.62 3.48 -0.07 2.29 0.11 -1.26 -0.07 120.40 126.51 2cup s VAL 89 Ca 0.53 -0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2cup s VAL 89 Cb -0.23 -2.55 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 2cup s VAL 89 CO 0.24 0.46 0.05 0.26 -3.33 0.00 0.00 175.10 172.77 2cup s TRP 90 N 0.96 3.27 0.22 1.54 0.52 0.40 -4.20 118.94 121.65 2cup s TRP 90 Ca -0.00 0.25 -0.31 0.00 0.02 0.00 0.00 56.10 56.06 2cup s TRP 90 Cb -0.15 -1.80 -0.15 0.00 -1.15 0.00 0.00 33.47 30.23 2cup s TRP 90 CO 0.01 0.54 1.22 0.72 0.02 0.00 0.00 176.95 179.45 2cup n HIS 91 N 1.82 1.60 -0.54 -1.98 8.25 -1.26 0.05 115.22 123.15 2cup n HIS 91 Ca -0.17 0.60 0.41 0.00 -0.26 0.00 0.00 57.72 58.30 2cup n HIS 91 Cb 0.54 -2.34 0.65 0.00 1.12 0.00 0.00 29.99 29.96 2cup n HIS 91 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2cup n LYS 92 N 1.62 -0.01 -0.02 -0.41 3.00 -0.93 0.18 118.16 121.59 2cup n LYS 92 Ca 0.13 0.90 -0.21 0.00 -0.00 0.00 0.00 58.31 59.12 2cup n LYS 92 Cb 0.28 -2.02 -0.13 0.00 0.00 0.00 0.00 35.03 33.16 2cup n LYS 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2cup h ASP 93 N 0.00 0.28 -0.57 3.14 3.32 -1.85 -3.37 116.42 117.37 2cup h ASP 93 Ca 0.75 -0.80 0.06 0.00 0.02 0.00 0.00 57.03 57.06 2cup h ASP 93 Cb 2.93 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 42.34 2cup h ASP 93 CO -0.07 1.60 0.29 0.00 -1.72 0.00 0.00 179.24 179.34 2cup n PHE 95 N -4.87 1.48 -3.76 0.00 7.35 0.20 -4.91 117.46 112.95 2cup n PHE 95 Ca 0.06 0.42 -0.29 0.00 -0.76 0.00 0.00 57.45 56.89 2cup n PHE 95 Cb 0.17 -2.20 -0.16 0.00 0.35 0.00 0.00 39.48 37.63 2cup n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2cup s SER 96 N -1.45 3.30 0.05 -2.13 0.01 -1.26 -4.97 113.70 107.25 2cup s SER 96 Ca 0.80 -1.06 -0.09 0.00 1.31 0.00 0.00 55.95 56.91 2cup s SER 96 Cb -0.38 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 2cup s SER 96 CO 0.43 -0.32 0.93 0.61 0.41 0.00 0.00 173.24 175.30 2cup n GLY 97 N 4.96 -2.24 3.63 3.44 0.00 -1.26 -4.06 105.19 109.66 2cup n GLY 97 Ca -0.08 0.63 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.94 3.80 0.32 1.61 0.04 -1.26 -5.00 135.00 130.57 2cup s PRO 98 Ca -0.04 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.76 2cup s PRO 98 Cb 0.03 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.49 2cup s PRO 98 CO 0.19 -1.28 -0.01 -1.12 0.04 0.00 0.00 177.00 174.81 2cup s SER 99 N 4.18 4.19 0.25 6.66 0.01 -1.26 -5.15 113.70 122.58 2cup s SER 99 Ca 0.71 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 2cup s SER 99 Cb -0.25 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.43 2cup s SER 99 CO 0.29 -0.17 0.58 -0.44 0.41 0.00 0.00 173.24 173.91 2cup s SER 100 N -3.69 -0.18 0.00 2.44 0.01 -1.26 -5.24 113.70 105.78 2cup s SER 100 Ca 0.34 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2cup s SER 100 Cb -0.02 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2cup s SER 100 CO 0.19 -1.21 0.03 0.61 0.41 0.00 0.00 173.24 173.27