#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup s SER 2 N 0.00 5.70 -0.26 1.61 0.01 -1.26 -4.96 113.70 114.54 2cup s SER 2 Ca 0.00 1.02 0.01 0.00 1.31 0.00 0.00 55.95 58.29 2cup s SER 2 Cb 0.00 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.76 2cup s SER 2 CO 0.00 -1.91 -0.09 -0.44 0.41 0.00 0.00 173.24 171.21 2cup s SER 3 N 6.74 4.45 0.00 2.44 0.01 -1.26 -5.02 113.70 121.06 2cup s SER 3 Ca 0.76 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2cup s SER 3 Cb -0.19 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2cup s SER 3 CO 0.30 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2cup n GLY 4 N 4.51 2.16 2.65 3.44 0.00 -1.26 -5.04 105.19 111.65 2cup n GLY 4 Ca -0.14 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.85 -4.20 1.61 2.88 -1.26 -4.97 113.62 104.83 2cup n SER 5 Ca 0.00 -0.38 -0.40 0.00 -1.33 0.00 0.00 58.87 56.76 2cup n SER 5 Cb 0.00 -3.46 -0.03 0.00 -0.75 0.00 0.00 64.21 59.97 2cup n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cup n SER 6 N -2.08 4.83 -2.41 -3.46 3.41 -1.26 -5.04 113.62 107.61 2cup n SER 6 Ca -0.13 -3.11 -0.03 0.00 -0.26 0.00 0.00 58.87 55.35 2cup n SER 6 Cb 0.59 -1.19 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 2cup n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cup n GLY 7 N 2.41 1.94 3.89 5.00 0.00 -1.26 -3.10 105.19 114.06 2cup n GLY 7 Ca 0.23 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 0.19 0.00 -0.07 0.00 0.24 -0.88 -2.78 118.33 115.04 2cup n VAL 9 Ca -0.06 -0.04 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 2cup n VAL 9 Cb 0.52 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.65 7.34 4.39 -1.95 -3.39 114.58 120.32 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 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2cup h GLU 10 CO 0.00 0.21 0.00 0.00 -1.16 0.00 0.00 179.01 178.06 2cup n ARG 12 N 1.43 -2.65 -4.23 0.00 5.12 -1.12 -4.92 116.66 110.29 2cup n ARG 12 Ca 0.22 0.30 -0.25 0.00 -1.93 0.00 0.00 57.85 56.19 2cup n ARG 12 Cb 0.58 -4.93 -0.07 0.00 -1.16 0.00 0.00 32.46 26.88 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 -6.04 2.39 0.35 5.56 -0.14 -1.24 -4.80 119.74 115.81 2cup s LYS 13 Ca 0.40 -1.20 -0.27 0.00 -1.36 0.00 0.00 55.97 53.53 2cup s LYS 13 Cb -0.22 -2.30 -0.09 0.00 -1.68 0.00 0.00 37.83 33.53 2cup s LYS 13 CO 0.49 0.42 1.21 -1.25 -0.76 0.00 0.00 175.35 175.47 2cup s PRO 14 N -3.22 4.28 -0.15 -1.68 0.04 -1.26 0.72 135.00 133.74 2cup s PRO 14 Ca 0.29 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 2cup s PRO 14 Cb -0.08 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2cup s PRO 14 CO 0.19 -0.17 0.02 0.42 0.04 0.00 0.00 177.00 177.50 2cup s ILE 15 N -1.25 4.42 0.33 0.56 1.01 -1.18 -4.82 121.20 120.26 2cup s ILE 15 Ca 0.51 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 2cup s ILE 15 Cb -0.35 -2.94 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 2cup s ILE 15 CO 0.45 0.52 0.70 -0.83 0.00 0.00 0.00 174.94 175.78 2cup s GLY 16 N -0.03 2.18 0.09 6.18 0.00 -1.26 -4.88 107.32 109.60 2cup s GLY 16 Ca 0.04 -0.12 -0.23 0.00 0.00 0.00 0.00 44.72 44.41 2cup s GLY 16 CO 0.02 0.06 1.72 0.00 0.00 0.00 0.00 173.10 174.90 2cup h ALA 17 N 1.99 -0.00 -0.80 3.20 0.00 -1.99 -2.55 119.26 119.11 2cup h ALA 17 Ca -0.47 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.50 2cup h ALA 17 Cb 1.18 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2cup h ALA 17 CO 0.66 -0.49 0.52 0.22 0.00 0.00 0.00 179.25 180.16 2cup h ASP 18 N -0.02 0.72 -3.07 0.00 1.82 -2.05 -3.41 116.42 110.40 2cup h ASP 18 Ca -0.00 0.01 -0.54 0.00 -0.39 0.00 0.00 57.03 56.11 2cup h ASP 18 Cb 0.02 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.90 2cup h ASP 18 CO 0.00 0.44 0.68 -0.44 -1.61 0.00 0.00 179.24 178.31 2cup s SER 19 N -6.08 6.97 -0.37 2.28 0.01 -0.96 -4.92 113.70 110.63 2cup s SER 19 Ca -0.10 2.08 -0.27 0.00 1.31 0.00 0.00 55.95 58.96 2cup s SER 19 Cb 0.20 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.79 2cup s SER 19 CO 0.78 -0.58 2.33 0.29 0.41 0.00 0.00 173.24 176.47 2cup n LYS 20 N 4.44 1.44 -4.07 12.44 5.02 -1.26 -4.69 118.16 131.48 2cup n LYS 20 Ca 0.11 0.25 -0.25 0.00 -2.02 0.00 0.00 58.31 56.40 2cup n LYS 20 Cb 0.45 -3.28 -0.05 0.00 -0.02 0.00 0.00 35.03 32.13 2cup n LYS 20 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2cup s GLU 21 N 7.34 2.98 0.19 1.97 1.03 -1.26 -2.68 118.70 128.28 2cup s GLU 21 Ca 1.01 -0.89 0.09 0.00 0.03 0.00 0.00 54.97 55.21 2cup s GLU 21 Cb -0.30 -2.66 -0.04 0.00 -0.80 0.00 0.00 34.13 30.33 2cup s GLU 21 CO 0.32 0.46 -0.10 0.08 -1.33 0.00 0.00 175.26 174.69 2cup s VAL 22 N -1.86 3.15 -0.12 1.83 1.01 -0.79 -4.99 120.40 118.64 2cup s VAL 22 Ca 0.32 -1.73 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 2cup s VAL 22 Cb -0.10 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.76 2cup s VAL 22 CO 0.24 -0.15 0.08 -2.28 0.00 0.00 0.00 175.10 172.99 2cup s HIS 23 N -1.80 0.13 -0.16 5.22 5.04 -1.26 -2.91 115.29 119.55 2cup s HIS 23 Ca 0.26 -0.06 -0.18 0.00 -1.54 0.00 0.00 55.06 53.54 2cup s HIS 23 Cb -0.08 -0.59 0.05 0.00 0.04 0.00 0.00 32.58 31.99 2cup s HIS 23 CO 0.15 -0.38 0.48 -0.47 -2.34 0.00 0.00 174.74 172.18 2cup s TYR 24 N 2.16 -0.50 -1.45 3.88 5.04 -0.93 -4.93 117.35 120.62 2cup s TYR 24 Ca 0.03 1.18 -0.05 0.00 -2.44 0.00 0.00 57.07 55.79 2cup s TYR 24 Cb -0.14 0.19 0.04 0.00 0.35 0.00 0.00 41.96 42.39 2cup s TYR 24 CO -0.07 -0.29 0.60 1.63 -1.34 0.00 0.00 175.55 176.08 2cup n LYS 25 N 2.53 -3.88 -2.59 4.97 5.02 -1.26 0.06 118.16 123.01 2cup n LYS 25 Ca -0.15 0.47 -0.18 0.00 -2.02 0.00 0.00 58.31 56.43 2cup n LYS 25 Cb 0.57 -4.86 -0.00 0.00 -0.02 0.00 0.00 35.03 30.71 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2cup n ASN 26 N -2.93 -4.92 -4.19 4.39 3.02 -1.26 -4.95 115.26 104.42 2cup n ASN 26 Ca -0.21 -0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.06 2cup n ASN 26 Cb 0.64 -4.10 -0.07 0.00 -0.61 0.00 0.00 39.78 35.63 2cup n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2cup s ARG 27 N -5.22 2.05 -0.21 3.52 0.52 0.11 -5.17 118.95 114.55 2cup s ARG 27 Ca 0.08 -2.28 -0.13 0.00 -0.52 0.00 0.00 55.73 52.88 2cup s ARG 27 Cb -0.04 -0.77 0.07 0.00 0.52 0.00 0.00 34.95 34.73 2cup s ARG 27 CO 0.10 -0.51 0.52 -0.06 0.02 0.00 0.00 175.30 175.37 2cup s PHE 28 N -3.11 -0.76 0.10 -0.53 0.08 -1.26 -2.20 117.98 110.31 2cup s PHE 28 Ca 0.17 1.60 0.08 0.00 0.12 0.00 0.00 56.93 58.90 2cup s PHE 28 Cb 0.01 0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.81 2cup s PHE 28 CO 0.12 -0.40 -0.19 -1.58 -0.10 0.00 0.00 175.22 173.06 2cup s TRP 29 N 1.33 1.70 0.75 0.36 0.51 -1.15 -2.08 118.94 120.36 2cup s TRP 29 Ca -0.08 -0.43 -0.11 0.00 -2.12 0.00 0.00 56.10 53.36 2cup s TRP 29 Cb -0.07 -0.92 0.04 0.00 -0.81 0.00 0.00 33.47 31.71 2cup s TRP 29 CO -0.13 0.19 1.08 -1.01 -0.51 0.00 0.00 176.95 176.57 2cup s HIS 30 N -1.28 2.80 -0.08 -1.98 3.76 -1.26 -1.88 115.29 115.36 2cup s HIS 30 Ca 0.06 1.46 0.25 0.00 -0.15 0.00 0.00 55.06 56.68 2cup s HIS 30 Cb -0.09 -2.99 1.35 0.00 1.11 0.00 0.00 32.58 31.96 2cup s HIS 30 CO 0.04 -1.60 1.77 0.38 -0.85 0.00 0.00 174.74 174.48 2cup h ASP 31 N -0.98 0.00 0.00 1.40 2.03 -1.88 0.14 116.42 117.12 2cup h ASP 31 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2cup h ASP 31 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2cup h ASP 31 CO 0.54 0.00 -1.24 0.35 -1.03 0.00 0.00 179.24 177.86 2cup n THR 32 N -2.38 0.00 -0.03 1.15 -2.24 -1.26 -4.62 114.28 104.90 2cup n THR 32 Ca -0.02 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 2cup n THR 32 Cb 0.05 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 68.60 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cup s PHE 34 N -2.46 1.11 0.39 0.00 5.36 0.32 -4.86 117.98 117.85 2cup s PHE 34 Ca -0.23 1.30 -0.13 0.00 -0.96 0.00 0.00 56.93 56.91 2cup s PHE 34 Cb 0.05 -3.68 0.05 0.00 -0.34 0.00 0.00 43.02 39.11 2cup s PHE 34 CO 0.71 -2.91 0.76 2.89 -1.46 0.00 0.00 175.22 175.22 2cup n ARG 35 N 8.95 1.09 -1.29 10.12 1.85 -1.26 -3.36 116.66 132.77 2cup n ARG 35 Ca 0.35 -2.33 -0.29 0.00 -1.00 0.00 0.00 57.85 54.58 2cup n ARG 35 Cb 0.52 2.80 0.17 0.00 -1.05 0.00 0.00 32.46 34.91 2cup n ARG 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2cup n ALA 37 N -4.09 2.54 -0.13 0.00 0.00 -1.00 -3.53 120.51 114.30 2cup n ALA 37 Ca 0.06 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 2cup n ALA 37 Cb 0.58 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.75 0.61 -0.01 0.00 4.81 -1.26 -4.58 118.16 115.99 2cup n LYS 38 Ca -0.01 0.25 0.10 0.00 -0.87 0.00 0.00 58.31 57.78 2cup n LYS 38 Cb 0.25 -1.53 -0.15 0.00 0.02 0.00 0.00 35.03 33.62 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 -1.93 -4.29 -4.40 0.00 7.99 -1.23 -4.95 117.00 108.19 2cup n LEU 40 Ca -0.01 -0.61 -0.31 0.00 -0.01 0.00 0.00 56.01 55.08 2cup n LEU 40 Cb 0.46 -3.00 -0.14 0.00 -0.11 0.00 0.00 43.42 40.63 2cup n LEU 40 CO 0.44 0.30 -0.52 -2.28 -1.51 0.00 0.00 177.39 173.82 2cup s HIS 41 N -3.35 2.49 -0.13 -1.77 2.46 -1.26 -4.68 115.29 109.06 2cup s HIS 41 Ca 0.10 -0.31 -0.29 0.00 0.47 0.00 0.00 55.06 55.03 2cup s HIS 41 Cb -0.01 -1.51 -0.04 0.00 -0.13 0.00 0.00 32.58 30.89 2cup s HIS 41 CO 0.69 0.12 1.54 -1.25 -2.47 0.00 0.00 174.74 173.37 2cup s PRO 42 N -0.96 4.10 -0.28 2.88 0.04 -1.26 0.12 135.00 139.63 2cup s PRO 42 Ca 0.12 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.17 2cup s PRO 42 Cb -0.10 -3.94 0.71 0.00 0.04 0.00 0.00 34.50 31.21 2cup s PRO 42 CO 0.02 -0.92 1.72 1.28 0.04 0.00 0.00 177.00 179.13 2cup n LEU 43 N 7.31 5.73 0.28 -3.56 7.99 -1.21 -4.56 117.00 128.98 2cup n LEU 43 Ca 0.17 -2.96 -0.17 0.00 -0.01 0.00 0.00 56.01 53.03 2cup n LEU 43 Cb 0.44 -0.72 -0.09 0.00 -0.11 0.00 0.00 43.42 42.94 2cup n LEU 43 CO 0.61 0.73 0.58 0.00 -1.51 0.00 0.00 177.39 177.80 2cup h ALA 44 N 2.93 -0.98 0.00 -1.18 0.00 -1.90 -2.96 119.26 115.16 2cup h ALA 44 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2cup h ALA 44 Cb 2.16 0.61 0.00 0.00 0.00 0.00 0.00 17.79 20.55 2cup h ALA 44 CO 0.64 -1.09 -0.60 0.27 0.00 0.00 0.00 179.25 178.47 2cup n ASN 45 N -5.53 0.57 -4.95 0.00 0.23 -1.26 -4.91 115.26 99.40 2cup n ASN 45 Ca -0.11 -0.18 -0.19 0.00 -0.53 0.00 0.00 54.58 53.57 2cup n ASN 45 Cb 0.42 0.31 -0.01 0.00 -2.08 0.00 0.00 39.78 38.43 2cup n ASN 45 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2cup s GLU 46 N -3.06 2.75 0.12 -3.83 0.41 -1.12 -5.11 118.70 108.86 2cup s GLU 46 Ca 0.09 -1.32 -0.10 0.00 -0.41 0.00 0.00 54.97 53.23 2cup s GLU 46 Cb 0.16 -2.62 -0.06 0.00 -1.78 0.00 0.00 34.13 29.83 2cup s GLU 46 CO 0.72 -0.19 0.45 0.99 -0.49 0.00 0.00 175.26 176.74 2cup s THR 47 N -2.37 5.04 0.40 3.63 2.01 -1.26 -4.74 115.64 118.34 2cup s THR 47 Ca 0.51 0.47 0.04 0.00 0.31 0.00 0.00 61.69 63.02 2cup s THR 47 Cb -0.07 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2cup s THR 47 CO 0.31 0.20 0.15 2.22 -0.69 0.00 0.00 174.62 176.81 2cup n PHE 48 N 0.64 0.08 -3.71 4.92 -1.74 -1.26 -3.94 117.46 112.44 2cup n PHE 48 Ca -0.06 -2.63 -0.16 0.00 -0.56 0.00 0.00 57.45 54.04 2cup n PHE 48 Cb 0.52 0.01 -0.16 0.00 1.52 0.00 0.00 39.48 41.38 2cup n PHE 48 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2cup s VAL 49 N -3.10 -0.13 -0.46 1.97 1.01 0.89 -4.89 120.40 115.69 2cup s VAL 49 Ca 0.22 0.28 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 2cup s VAL 49 Cb 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.21 2cup s VAL 49 CO 0.15 0.12 0.62 0.00 0.00 0.00 0.00 175.10 175.99 2cup s ALA 50 N 1.66 3.36 -0.03 5.51 0.00 -1.26 -2.24 121.76 128.75 2cup s ALA 50 Ca -0.03 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2cup s ALA 50 Cb -0.12 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.73 2cup s ALA 50 CO -0.05 -1.84 0.06 -1.59 0.00 0.00 0.00 175.76 172.34 2cup s LYS 51 N 2.70 0.01 -1.24 0.00 0.00 -1.01 -4.85 119.74 115.35 2cup s LYS 51 Ca 0.19 0.20 -0.07 0.00 0.00 0.00 0.00 55.97 56.29 2cup s LYS 51 Cb -0.16 -0.17 0.01 0.00 0.00 0.00 0.00 37.83 37.51 2cup s LYS 51 CO 0.16 -0.13 0.96 -3.47 0.00 0.00 0.00 175.35 172.88 2cup n ASP 52 N 3.91 -5.86 -3.38 0.03 -0.08 -1.26 -2.07 116.55 107.85 2cup n ASP 52 Ca -0.24 -0.44 -0.24 0.00 -1.51 0.00 0.00 54.79 52.36 2cup n ASP 52 Cb 0.53 -4.51 0.01 0.00 2.34 0.00 0.00 41.12 39.49 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2cup n ASN 53 N -2.42 -4.61 -3.80 1.67 3.02 -1.26 -4.96 115.26 102.91 2cup n ASN 53 Ca -0.01 -0.44 -0.14 0.00 -0.03 0.00 0.00 54.58 53.97 2cup n ASN 53 Cb 0.56 -3.75 -0.15 0.00 -0.61 0.00 0.00 39.78 35.84 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 -6.05 0.02 -0.04 3.52 1.02 -0.88 -5.14 119.74 112.20 2cup s LYS 54 Ca 0.43 0.17 -0.27 0.00 0.02 0.00 0.00 55.97 56.32 2cup s LYS 54 Cb -0.21 -0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 2cup s LYS 54 CO 0.53 -0.10 0.86 0.42 -0.92 0.00 0.00 175.35 176.13 2cup s ILE 55 N 0.66 4.94 0.03 2.17 -1.09 -1.26 -2.41 121.20 124.24 2cup s ILE 55 Ca -0.05 1.79 -0.01 0.00 -2.23 0.00 0.00 60.65 60.15 2cup s ILE 55 Cb -0.07 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 2cup s ILE 55 CO -0.02 0.19 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.11 2cup s LEU 56 N 0.99 2.20 0.18 2.97 1.43 -0.95 -2.39 118.68 123.11 2cup s LEU 56 Ca 0.45 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2cup s LEU 56 Cb -0.19 0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.18 2cup s LEU 56 CO 0.23 -0.38 0.38 0.00 0.23 0.00 0.00 176.35 176.81 2cup h ASN 58 N 2.26 0.58 -0.71 0.00 7.08 -1.91 0.72 115.58 123.60 2cup h ASN 58 Ca -0.47 0.15 0.06 0.00 -3.08 0.00 0.00 56.30 52.96 2cup h ASN 58 Cb 1.18 0.07 -0.04 0.00 -2.08 0.00 0.00 38.32 37.45 2cup h ASN 58 CO 0.70 0.00 0.47 0.50 -2.08 0.00 0.00 177.43 177.01 2cup h LYS 59 N 0.45 0.74 0.00 4.14 3.64 -1.93 -2.71 116.57 120.90 2cup h LYS 59 Ca 0.68 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.94 2cup h LYS 59 Cb 1.47 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2cup h LYS 59 CO -0.51 0.49 -0.62 0.00 -2.27 0.00 0.00 179.45 176.54 2cup n THR 61 N -4.58 0.00 -2.18 0.00 -2.24 0.11 -3.62 114.28 101.76 2cup n THR 61 Ca -0.15 1.24 -0.31 0.00 -2.27 0.00 0.00 64.05 62.57 2cup n THR 61 Cb 0.38 -2.16 -0.05 0.00 -2.10 0.00 0.00 70.33 66.41 2cup n THR 61 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cup s THR 62 N -4.43 3.62 0.39 4.28 2.01 -1.03 -4.93 115.64 115.56 2cup s THR 62 Ca -0.03 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.24 2cup s THR 62 Cb 0.18 -4.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2cup s THR 62 CO 0.59 -1.22 0.36 0.00 -0.69 0.00 0.00 174.62 173.66 2cup s ARG 63 N 6.22 2.59 0.90 4.92 1.70 -1.24 -5.05 118.95 128.99 2cup s ARG 63 Ca 0.64 -1.46 -0.14 0.00 -0.47 0.00 0.00 55.73 54.30 2cup s ARG 63 Cb -0.02 -2.42 -0.02 0.00 -0.57 0.00 0.00 34.95 31.92 2cup s ARG 63 CO 0.04 -0.11 0.23 -1.91 -1.08 0.00 0.00 175.30 172.47 2cup n GLU 64 N -1.51 -0.10 -0.87 3.89 4.07 -1.26 -4.82 120.64 120.05 2cup n GLU 64 Ca 0.02 0.01 -0.13 0.00 -0.06 0.00 0.00 57.16 56.99 2cup n GLU 64 Cb 0.61 -1.69 0.01 0.00 -0.06 0.00 0.00 31.44 30.30 2cup n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2cup n ASP 65 N -0.22 6.13 -4.73 4.31 5.68 -1.26 -4.95 116.55 121.52 2cup n ASP 65 Ca 0.06 -2.89 -0.42 0.00 -0.50 0.00 0.00 54.79 51.04 2cup n ASP 65 Cb 0.53 -1.12 -0.03 0.00 -1.14 0.00 0.00 41.12 39.37 2cup n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2cup s SER 66 N 0.74 6.59 1.17 -1.12 1.04 -1.26 -5.00 113.70 115.85 2cup s SER 66 Ca 0.29 2.67 -0.18 0.00 0.48 0.00 0.00 55.95 59.21 2cup s SER 66 Cb 0.20 -2.61 0.27 0.00 0.10 0.00 0.00 66.02 63.99 2cup s SER 66 CO -0.03 -0.79 1.11 -2.16 0.98 0.00 0.00 173.24 172.35 2cup s PRO 67 N 0.44 -0.95 0.10 4.02 0.04 -1.26 -4.89 135.00 132.50 2cup s PRO 67 Ca 0.66 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.78 2cup s PRO 67 Cb -0.44 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2cup s PRO 67 CO 0.37 -3.55 -0.13 -1.59 0.04 0.00 0.00 177.00 172.14 2cup s LYS 68 N -5.32 0.93 0.40 4.56 0.00 -1.26 -2.32 119.74 116.73 2cup s LYS 68 Ca 0.70 -1.14 0.08 0.00 0.00 0.00 0.00 55.97 55.60 2cup s LYS 68 Cb -0.11 -0.81 -0.00 0.00 0.00 0.00 0.00 37.83 36.91 2cup s LYS 68 CO 0.56 0.16 0.51 0.00 0.00 0.00 0.00 175.35 176.58 2cup n LYS 70 N -1.74 2.01 -0.02 0.00 0.00 -1.26 -3.24 118.16 113.90 2cup n LYS 70 Ca 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 58.31 58.35 2cup n LYS 70 Cb 0.59 -1.13 0.21 0.00 0.00 0.00 0.00 35.03 34.70 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 0.82 0.62 0.00 3.14 0.00 -1.92 -3.32 103.07 102.41 2cup h GLY 71 Ca -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2cup h GLY 71 CO -0.00 0.42 -0.74 0.00 0.00 0.00 0.00 176.54 176.21 2cup n PHE 73 N -1.27 -1.88 -4.39 0.00 3.72 -1.20 -5.03 117.46 107.41 2cup n PHE 73 Ca 0.00 0.80 -0.20 0.00 -0.05 0.00 0.00 57.45 58.00 2cup n PHE 73 Cb 0.00 -4.61 -0.10 0.00 -0.94 0.00 0.00 39.48 33.82 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 -5.19 1.46 -0.58 -1.08 -0.14 -1.26 -4.84 119.74 108.12 2cup s LYS 74 Ca 0.02 -1.69 -0.27 0.00 -1.36 0.00 0.00 55.97 52.67 2cup s LYS 74 Cb -0.01 -1.17 -0.02 0.00 -1.68 0.00 0.00 37.83 34.95 2cup s LYS 74 CO 0.62 0.12 1.88 0.00 -0.76 0.00 0.00 175.35 177.21 2cup s ALA 75 N -2.97 2.22 0.44 5.17 0.00 -1.26 -1.84 121.76 123.52 2cup s ALA 75 Ca 0.26 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 2cup s ALA 75 Cb 0.01 -4.27 -0.08 0.00 0.00 0.00 0.00 23.12 18.78 2cup s ALA 75 CO 0.10 -3.79 1.30 0.42 0.00 0.00 0.00 175.76 173.79 2cup s ILE 76 N 8.99 2.54 0.15 0.00 1.01 -0.98 -5.00 121.20 127.91 2cup s ILE 76 Ca 0.70 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.87 2cup s ILE 76 Cb -0.14 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2cup s ILE 76 CO 0.22 0.05 0.04 -0.69 0.00 0.00 0.00 174.94 174.56 2cup s VAL 77 N -1.31 4.01 0.06 2.92 1.01 -1.26 -4.25 120.40 121.58 2cup s VAL 77 Ca 0.61 -1.21 -0.34 0.00 0.00 0.00 0.00 61.98 61.03 2cup s VAL 77 Cb -0.38 -3.00 -0.18 0.00 0.00 0.00 0.00 36.38 32.83 2cup s VAL 77 CO 0.47 -0.05 1.52 0.00 0.00 0.00 0.00 175.10 177.04 2cup h ALA 78 N 2.82 -1.27 -0.90 5.51 0.00 -1.99 -2.97 119.26 120.47 2cup h ALA 78 Ca -0.47 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.32 2cup h ALA 78 Cb 1.19 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 19.45 2cup h ALA 78 CO 0.60 -1.22 0.52 0.78 0.00 0.00 0.00 179.25 179.93 2cup h GLY 79 N -1.15 1.45 -3.99 0.00 0.00 -2.04 -3.42 103.07 93.93 2cup h GLY 79 Ca -0.11 -0.34 -0.53 0.00 0.00 0.00 0.00 47.33 46.36 2cup h GLY 79 CO 0.12 0.08 0.76 0.99 0.00 0.00 0.00 176.54 178.50 2cup s ASP 80 N -5.57 6.45 0.50 0.19 1.01 -1.12 -4.94 116.67 113.19 2cup s ASP 80 Ca -0.12 2.95 -0.23 0.00 0.71 0.00 0.00 52.55 55.86 2cup s ASP 80 Cb 0.21 -2.66 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 2cup s ASP 80 CO 0.79 -0.80 1.36 -1.10 0.21 0.00 0.00 175.17 175.63 2cup s GLN 81 N -1.76 3.41 0.04 8.23 -0.21 -1.26 -4.71 119.66 123.40 2cup s GLN 81 Ca 0.54 2.26 -0.18 0.00 0.02 0.00 0.00 55.36 57.99 2cup s GLN 81 Cb -0.45 -2.43 0.04 0.00 1.00 0.00 0.00 33.01 31.17 2cup s GLN 81 CO 0.58 -0.98 0.41 -0.80 -2.12 0.00 0.00 175.29 172.38 2cup s ASN 82 N -0.82 -0.29 -0.26 5.90 0.01 -1.26 -3.88 114.94 114.34 2cup s ASN 82 Ca 0.67 0.02 0.01 0.00 -0.71 0.00 0.00 52.86 52.85 2cup s ASN 82 Cb -0.41 0.42 0.07 0.00 0.41 0.00 0.00 41.25 41.74 2cup s ASN 82 CO 0.50 -0.65 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.72 2cup s VAL 83 N -2.36 1.63 -0.19 1.60 1.01 0.40 -4.66 120.40 117.82 2cup s VAL 83 Ca -0.06 -1.43 -0.13 0.00 0.00 0.00 0.00 61.98 60.36 2cup s VAL 83 Cb -0.01 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2cup s VAL 83 CO -0.02 -0.21 0.28 -0.70 0.00 0.00 0.00 175.10 174.45 2cup s GLU 84 N 1.32 4.18 0.00 2.72 2.12 -1.26 0.14 118.70 127.92 2cup s GLU 84 Ca -0.02 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2cup s GLU 84 Cb -0.19 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2cup s GLU 84 CO -0.08 0.12 0.00 0.98 -0.54 0.00 0.00 175.26 175.74 2cup n TYR 85 N 4.00 0.00 -3.65 5.30 9.36 -1.04 -4.97 117.16 126.17 2cup n TYR 85 Ca -0.12 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.82 2cup n TYR 85 Cb 0.52 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.11 2cup n TYR 85 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2cup s LYS 86 N -0.12 1.39 0.00 2.98 1.02 -1.26 -4.87 119.74 118.88 2cup s LYS 86 Ca 0.00 -2.29 0.00 0.00 0.02 0.00 0.00 55.97 53.70 2cup s LYS 86 Cb 0.00 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2cup s LYS 86 CO 0.00 -1.26 0.00 0.41 -0.92 0.00 0.00 175.35 173.58 2cup n GLY 87 N 3.03 1.58 3.53 -3.33 0.00 -1.26 -4.92 105.19 103.82 2cup n GLY 87 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 4.14 -0.20 2.61 -4.23 -1.26 -5.06 115.64 111.64 2cup s THR 88 Ca 0.00 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.21 2cup s THR 88 Cb 0.00 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 2cup s THR 88 CO 0.00 0.47 -0.06 0.54 -0.54 0.00 0.00 174.62 175.03 2cup s VAL 89 N 0.46 3.29 -0.09 2.29 0.11 -1.26 -2.49 120.40 122.71 2cup s VAL 89 Ca -0.01 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 58.46 2cup s VAL 89 Cb -0.14 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 2cup s VAL 89 CO 0.02 0.45 0.07 0.26 -3.33 0.00 0.00 175.10 172.58 2cup s TRP 90 N 1.19 3.37 0.37 1.54 0.52 0.37 -4.22 118.94 122.08 2cup s TRP 90 Ca 0.02 0.34 -0.27 0.00 0.02 0.00 0.00 56.10 56.21 2cup s TRP 90 Cb -0.14 -1.85 -0.11 0.00 -1.15 0.00 0.00 33.47 30.21 2cup s TRP 90 CO -0.02 0.60 1.28 0.72 0.02 0.00 0.00 176.95 179.55 2cup n HIS 91 N 1.94 2.23 -0.27 -1.98 8.25 -1.26 0.15 115.22 124.28 2cup n HIS 91 Ca -0.18 0.53 0.25 0.00 -0.26 0.00 0.00 57.72 58.05 2cup n HIS 91 Cb 0.54 -2.40 0.43 0.00 1.12 0.00 0.00 29.99 29.68 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 0.36 -0.03 -0.04 -0.41 3.00 -1.25 0.18 118.16 119.97 2cup n LYS 92 Ca 0.05 0.90 -0.15 0.00 -0.00 0.00 0.00 58.31 59.11 2cup n LYS 92 Cb 0.37 -1.70 -0.13 0.00 0.00 0.00 0.00 35.03 33.58 2cup n LYS 92 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2cup h ASP 93 N 0.00 0.11 -0.65 3.14 3.58 -1.91 -3.33 116.42 117.35 2cup h ASP 93 Ca 0.59 -0.90 0.04 0.00 0.42 0.00 0.00 57.03 57.19 2cup h ASP 93 Cb 1.75 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.72 2cup h ASP 93 CO -0.42 0.99 0.38 0.00 -2.88 0.00 0.00 179.24 177.32 2cup s PHE 95 N -6.11 2.49 -0.11 0.00 5.36 0.11 -4.89 117.98 114.82 2cup s PHE 95 Ca -0.13 1.52 -0.03 0.00 -0.96 0.00 0.00 56.93 57.33 2cup s PHE 95 Cb 0.15 -3.08 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 2cup s PHE 95 CO 0.76 -1.95 -0.07 1.03 -1.46 0.00 0.00 175.22 173.54 2cup h SER 96 N -1.24 0.00 0.00 6.13 0.87 -1.84 -3.47 113.55 114.00 2cup h SER 96 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2cup h SER 96 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2cup h SER 96 CO 0.51 0.59 0.00 0.61 -0.53 0.00 0.00 176.83 178.01 2cup n GLY 97 N 1.72 -2.22 3.68 5.77 0.00 -1.26 -5.07 105.19 107.81 2cup n GLY 97 Ca -0.03 0.71 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 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 4.25 -0.07 1.61 0.04 -1.26 -4.89 135.00 134.68 2cup s PRO 98 Ca 0.00 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 2cup s PRO 98 Cb 0.00 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 2cup s PRO 98 CO 0.00 -0.64 -0.09 -1.13 0.04 0.00 0.00 177.00 175.18 2cup n SER 99 N 5.71 0.53 -3.37 6.66 3.41 -1.26 -5.04 113.62 120.26 2cup n SER 99 Ca 0.14 0.09 -0.39 0.00 -0.26 0.00 0.00 58.87 58.45 2cup n SER 99 Cb 0.43 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 2cup n SER 99 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cup n SER 100 N -3.34 -0.67 0.00 4.04 2.88 -1.26 -5.01 113.62 110.26 2cup n SER 100 Ca -0.14 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2cup n SER 100 Cb 0.58 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42