#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 6.22 -0.60 1.61 1.04 -1.26 -4.95 113.70 115.78 2cup s SER 2 Ca 0.00 -1.10 -0.18 0.00 0.48 0.00 0.00 55.95 55.15 2cup s SER 2 Cb 0.00 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.67 2cup s SER 2 CO 0.00 -1.76 0.66 -0.55 0.98 0.00 0.00 173.24 172.58 2cup s SER 3 N 5.22 6.22 0.00 7.02 0.15 -1.26 -4.93 113.70 126.12 2cup s SER 3 Ca 0.48 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.53 2cup s SER 3 Cb -0.03 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2cup s SER 3 CO -0.03 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 173.99 2cup n GLY 4 N 5.23 -2.03 3.96 9.45 0.00 -1.26 -5.03 105.19 115.52 2cup n GLY 4 Ca -0.09 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.26 2cup n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cup s SER 5 N -3.29 5.77 -0.34 1.61 1.04 -1.26 -5.05 113.70 112.17 2cup s SER 5 Ca 0.00 -0.30 0.13 0.00 0.48 0.00 0.00 55.95 56.26 2cup s SER 5 Cb 0.00 -1.08 0.46 0.00 0.10 0.00 0.00 66.02 65.49 2cup s SER 5 CO 0.00 -0.47 1.07 -1.20 0.98 0.00 0.00 173.24 173.62 2cup n SER 6 N -1.61 3.11 -2.77 7.02 7.64 -1.26 -5.09 113.62 120.65 2cup n SER 6 Ca 0.01 -3.09 -0.10 0.00 1.01 0.00 0.00 58.87 56.70 2cup n SER 6 Cb 0.59 -0.47 0.07 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.40 -0.71 3.85 0.23 0.00 -1.26 -4.41 105.19 102.49 2cup n GLY 7 Ca 0.24 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 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 0.27 0.48 0.06 0.00 0.24 -1.13 -2.44 118.33 115.81 2cup n VAL 9 Ca -0.01 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.34 61.58 2cup n VAL 9 Cb 0.52 -0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.00 -0.24 -0.02 7.34 4.81 -1.94 -3.33 114.58 121.20 2cup h GLU 10 Ca -0.14 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2cup h GLU 10 Cb 1.34 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2cup h GLU 10 CO 0.01 0.16 -0.23 0.00 -0.73 0.00 0.00 179.01 178.22 2cup n ARG 12 N 0.43 -2.48 -4.15 0.00 3.00 -1.02 -4.96 116.66 107.49 2cup n ARG 12 Ca 0.12 0.70 -0.25 0.00 -0.01 0.00 0.00 57.85 58.41 2cup n ARG 12 Cb 0.49 -5.35 -0.06 0.00 0.00 0.00 0.00 32.46 27.55 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 -5.20 2.72 0.35 5.56 1.02 -1.22 -4.85 119.74 118.10 2cup s LYS 13 Ca 0.07 -1.04 -0.28 0.00 0.02 0.00 0.00 55.97 54.74 2cup s LYS 13 Cb -0.04 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 2cup s LYS 13 CO 0.09 0.44 1.21 -1.25 -0.92 0.00 0.00 175.35 174.92 2cup s PRO 14 N -3.34 4.30 -0.04 -1.68 0.04 -1.26 -0.13 135.00 132.89 2cup s PRO 14 Ca 0.31 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.35 2cup s PRO 14 Cb -0.09 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 2cup s PRO 14 CO 0.22 -0.15 -0.03 0.42 0.04 0.00 0.00 177.00 177.50 2cup s ILE 15 N -1.24 3.99 0.32 0.56 1.01 -1.26 -4.81 121.20 119.77 2cup s ILE 15 Ca 0.51 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.73 2cup s ILE 15 Cb -0.35 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2cup s ILE 15 CO 0.45 0.50 0.43 -0.83 0.00 0.00 0.00 174.94 175.50 2cup s GLY 16 N -1.14 1.57 0.03 6.18 0.00 -1.26 -4.89 107.32 107.81 2cup s GLY 16 Ca 0.15 -1.45 -0.23 0.00 0.00 0.00 0.00 44.72 43.19 2cup s GLY 16 CO 0.05 -1.38 1.44 0.00 0.00 0.00 0.00 173.10 173.21 2cup h ALA 17 N 0.98 0.11 -0.70 3.20 0.00 -2.01 -3.04 119.26 117.80 2cup h ALA 17 Ca -0.46 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.29 2cup h ALA 17 Cb 1.25 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2cup h ALA 17 CO 0.54 -0.20 0.46 -0.44 0.00 0.00 0.00 179.25 179.62 2cup h ASP 18 N -0.16 0.71 -3.00 0.00 3.32 -2.06 -3.42 116.42 111.81 2cup h ASP 18 Ca 0.02 -0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.54 2cup h ASP 18 Cb 0.38 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.79 2cup h ASP 18 CO 0.01 0.48 0.72 -0.44 -1.72 0.00 0.00 179.24 178.29 2cup s SER 19 N -6.30 6.83 -0.45 6.45 0.01 -1.15 -4.93 113.70 114.16 2cup s SER 19 Ca -0.10 2.31 -0.27 0.00 1.31 0.00 0.00 55.95 59.20 2cup s SER 19 Cb 0.19 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2cup s SER 19 CO 0.77 -0.65 1.88 -0.54 0.41 0.00 0.00 173.24 175.11 2cup s LYS 20 N 1.14 2.95 0.12 12.44 1.02 -1.26 -4.73 119.74 131.43 2cup s LYS 20 Ca 0.64 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.78 2cup s LYS 20 Cb -0.36 -4.31 -0.04 0.00 -0.52 0.00 0.00 37.83 32.60 2cup s LYS 20 CO 0.30 -2.32 0.15 -1.83 -0.92 0.00 0.00 175.35 170.73 2cup s GLU 21 N 6.42 3.06 -0.36 1.68 1.03 -1.26 -3.26 118.70 126.02 2cup s GLU 21 Ca 0.76 -0.71 -0.02 0.00 0.03 0.00 0.00 54.97 55.03 2cup s GLU 21 Cb -0.18 -2.78 0.08 0.00 -0.80 0.00 0.00 34.13 30.46 2cup s GLU 21 CO 0.28 0.53 0.10 0.08 -1.33 0.00 0.00 175.26 174.92 2cup s VAL 22 N -1.61 3.03 -0.31 1.83 1.01 -0.91 -4.96 120.40 118.48 2cup s VAL 22 Ca 0.32 -1.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.25 2cup s VAL 22 Cb -0.11 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 2cup s VAL 22 CO 0.24 -0.45 0.69 -2.28 0.00 0.00 0.00 175.10 173.31 2cup s HIS 23 N 1.15 3.21 -0.20 5.22 5.04 -1.26 -2.34 115.29 126.11 2cup s HIS 23 Ca 0.03 0.67 -0.09 0.00 -1.54 0.00 0.00 55.06 54.13 2cup s HIS 23 Cb -0.21 -3.08 0.08 0.00 0.04 0.00 0.00 32.58 29.40 2cup s HIS 23 CO -0.03 -0.51 0.45 -0.47 -2.34 0.00 0.00 174.74 171.83 2cup s TYR 24 N 2.75 -0.75 -1.12 3.88 5.04 -1.03 -4.92 117.35 121.19 2cup s TYR 24 Ca 0.28 1.50 -0.05 0.00 -2.44 0.00 0.00 57.07 56.36 2cup s TYR 24 Cb -0.15 0.34 0.01 0.00 0.35 0.00 0.00 41.96 42.51 2cup s TYR 24 CO 0.12 -0.43 0.97 1.63 -1.34 0.00 0.00 175.55 176.50 2cup n LYS 25 N 4.72 -6.48 -2.62 4.97 4.76 -1.26 -2.12 118.16 120.13 2cup n LYS 25 Ca -0.17 0.72 -0.21 0.00 -2.87 0.00 0.00 58.31 55.77 2cup n LYS 25 Cb 0.53 -5.41 0.01 0.00 -1.84 0.00 0.00 35.03 28.31 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 -2.55 -6.01 -3.57 4.39 3.02 -1.26 -4.97 115.26 104.30 2cup n ASN 26 Ca -0.08 -0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.13 2cup n ASN 26 Cb 0.59 -4.95 -0.06 0.00 -0.61 0.00 0.00 39.78 34.74 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 -3.38 0.64 -3.66 3.52 1.74 -0.90 -5.14 116.66 109.47 2cup n ARG 27 Ca -0.20 -2.99 -0.08 0.00 -0.77 0.00 0.00 57.85 53.81 2cup n ARG 27 Cb 0.67 1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 33.62 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 -2.86 -0.91 -0.01 -1.55 0.40 -1.25 -2.47 117.98 109.32 2cup s PHE 28 Ca 0.17 1.82 0.06 0.00 -0.60 0.00 0.00 56.93 58.37 2cup s PHE 28 Cb 0.01 0.50 -0.01 0.00 0.51 0.00 0.00 43.02 44.02 2cup s PHE 28 CO 0.12 -0.47 -0.18 -1.58 0.70 0.00 0.00 175.22 173.81 2cup s TRP 29 N 1.73 1.58 0.76 0.36 0.51 -0.99 -2.82 118.94 120.07 2cup s TRP 29 Ca -0.09 -0.31 -0.13 0.00 -2.12 0.00 0.00 56.10 53.46 2cup s TRP 29 Cb -0.07 -1.00 0.06 0.00 -0.81 0.00 0.00 33.47 31.64 2cup s TRP 29 CO -0.17 -0.01 1.14 -1.01 -0.51 0.00 0.00 176.95 176.39 2cup s HIS 30 N -0.47 2.23 0.63 -1.98 3.76 -1.26 -2.15 115.29 116.05 2cup s HIS 30 Ca 0.07 1.62 0.31 0.00 -0.15 0.00 0.00 55.06 56.90 2cup s HIS 30 Cb -0.07 -3.26 1.68 0.00 1.11 0.00 0.00 32.58 32.04 2cup s HIS 30 CO -0.00 -2.22 2.00 0.38 -0.85 0.00 0.00 174.74 174.05 2cup h ASP 31 N -0.76 0.00 0.00 1.40 3.04 -1.92 0.37 116.42 118.54 2cup h ASP 31 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 2cup h ASP 31 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 2cup h ASP 31 CO 0.49 0.00 -1.49 0.35 -2.04 0.00 0.00 179.24 176.55 2cup n THR 32 N -3.31 0.00 -0.08 1.15 -2.24 -1.26 -4.52 114.28 104.02 2cup n THR 32 Ca 0.01 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 2cup n THR 32 Cb 0.40 0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.95 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 -4.36 1.28 -3.95 0.00 7.35 0.72 -4.84 117.46 113.65 2cup n PHE 34 Ca -0.27 0.09 -0.11 0.00 -0.76 0.00 0.00 57.45 56.40 2cup n PHE 34 Cb 0.69 -2.57 -0.02 0.00 0.35 0.00 0.00 39.48 37.92 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 8.48 1.95 0.96 -4.13 1.70 -1.26 -2.71 118.95 123.94 2cup s ARG 35 Ca 0.99 -1.48 -0.12 0.00 -0.47 0.00 0.00 55.73 54.66 2cup s ARG 35 Cb -0.23 0.53 0.17 0.00 -0.57 0.00 0.00 34.95 34.84 2cup s ARG 35 CO 0.23 -0.86 1.10 0.00 -1.08 0.00 0.00 175.30 174.69 2cup n ALA 37 N -4.03 3.02 -0.14 0.00 0.00 -1.14 -3.48 120.51 114.73 2cup n ALA 37 Ca 0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.92 2cup n ALA 37 Cb 0.57 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.49 0.59 -0.00 0.00 4.81 -1.26 -4.61 118.16 116.20 2cup n LYS 38 Ca 0.00 0.25 0.10 0.00 -0.87 0.00 0.00 58.31 57.80 2cup n LYS 38 Cb 0.21 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.65 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 -3.94 -4.49 0.00 7.99 -1.23 -4.96 117.00 108.74 2cup n LEU 40 Ca 0.02 -0.60 -0.34 0.00 -0.01 0.00 0.00 56.01 55.09 2cup n LEU 40 Cb 0.36 -3.05 -0.12 0.00 -0.11 0.00 0.00 43.42 40.50 2cup n LEU 40 CO 0.42 0.38 -0.38 -2.28 -1.51 0.00 0.00 177.39 174.02 2cup s HIS 41 N -3.35 2.95 -0.30 -1.77 2.46 -1.26 -4.67 115.29 109.35 2cup s HIS 41 Ca 0.03 -0.28 -0.29 0.00 0.47 0.00 0.00 55.06 55.00 2cup s HIS 41 Cb -0.01 -1.86 -0.02 0.00 -0.13 0.00 0.00 32.58 30.56 2cup s HIS 41 CO 0.71 0.03 1.67 -1.25 -2.47 0.00 0.00 174.74 173.43 2cup s PRO 42 N 0.01 3.55 -0.12 2.88 0.04 -1.26 0.84 135.00 140.94 2cup s PRO 42 Ca -0.01 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.51 2cup s PRO 42 Cb -0.14 -4.11 0.24 0.00 0.04 0.00 0.00 34.50 30.54 2cup s PRO 42 CO 0.03 -1.59 1.14 1.28 0.04 0.00 0.00 177.00 177.90 2cup n LEU 43 N 9.34 3.54 -0.08 -3.56 7.99 -1.10 -4.36 117.00 128.77 2cup n LEU 43 Ca 0.20 -1.82 -0.07 0.00 -0.01 0.00 0.00 56.01 54.31 2cup n LEU 43 Cb 0.46 -0.59 -0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2cup n LEU 43 CO 0.67 0.55 0.92 0.00 -1.51 0.00 0.00 177.39 178.03 2cup h ALA 44 N 2.08 0.33 -0.13 -1.18 0.00 -1.89 -3.04 119.26 115.44 2cup h ALA 44 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2cup h ALA 44 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2cup h ALA 44 CO 0.28 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.32 2cup n ASN 45 N -5.03 2.25 -4.74 0.00 5.03 -1.26 -5.01 115.26 106.51 2cup n ASN 45 Ca -0.00 -1.65 -0.25 0.00 0.87 0.00 0.00 54.58 53.55 2cup n ASN 45 Cb 0.11 -0.08 -0.07 0.00 -1.02 0.00 0.00 39.78 38.71 2cup n ASN 45 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2cup s GLU 46 N -0.93 2.20 0.64 3.52 0.41 -1.15 -5.13 118.70 118.26 2cup s GLU 46 Ca 0.16 -1.91 -0.13 0.00 -0.41 0.00 0.00 54.97 52.68 2cup s GLU 46 Cb 0.10 -1.93 -0.02 0.00 -1.78 0.00 0.00 34.13 30.50 2cup s GLU 46 CO 0.14 -0.15 1.05 0.95 -0.49 0.00 0.00 175.26 176.76 2cup s THR 47 N -2.63 4.11 0.13 3.63 -4.23 -1.26 -4.74 115.64 110.64 2cup s THR 47 Ca 0.38 0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 61.59 2cup s THR 47 Cb 0.04 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2cup s THR 47 CO 0.21 -0.79 0.27 0.72 -0.54 0.00 0.00 174.62 174.49 2cup s PHE 48 N -2.87 0.18 -0.01 3.99 -0.12 -1.26 -4.21 117.98 113.68 2cup s PHE 48 Ca 0.59 -0.57 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 2cup s PHE 48 Cb -0.14 0.00 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 2cup s PHE 48 CO 0.48 -0.65 0.01 0.08 -0.05 0.00 0.00 175.22 175.09 2cup s VAL 49 N -3.89 -0.01 -0.38 -2.49 1.01 0.73 -4.91 120.40 110.45 2cup s VAL 49 Ca 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 2cup s VAL 49 Cb 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 36.38 36.43 2cup s VAL 49 CO -0.07 0.03 0.20 0.00 0.00 0.00 0.00 175.10 175.25 2cup s ALA 50 N 0.30 3.22 -0.02 5.51 0.00 -1.26 -1.50 121.76 128.00 2cup s ALA 50 Ca -0.02 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.07 2cup s ALA 50 Cb -0.04 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.57 2cup s ALA 50 CO -0.01 -1.45 0.06 0.15 0.00 0.00 0.00 175.76 174.51 2cup s LYS 51 N 1.48 0.05 -1.21 0.00 1.02 -0.99 -4.86 119.74 115.23 2cup s LYS 51 Ca 0.01 0.12 -0.07 0.00 0.02 0.00 0.00 55.97 56.06 2cup s LYS 51 Cb -0.20 -0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2cup s LYS 51 CO 0.04 -0.05 1.05 -3.47 -0.92 0.00 0.00 175.35 172.00 2cup n ASP 52 N 3.35 -5.23 -3.56 2.83 2.03 -1.26 -2.11 116.55 112.59 2cup n ASP 52 Ca -0.16 -0.51 -0.26 0.00 0.52 0.00 0.00 54.79 54.38 2cup n ASP 52 Cb 0.57 -4.64 -0.01 0.00 -0.72 0.00 0.00 41.12 36.32 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 -2.67 -3.68 -3.84 1.67 3.02 -1.26 -4.94 115.26 103.56 2cup n ASN 53 Ca -0.04 -0.53 -0.12 0.00 -0.03 0.00 0.00 54.58 53.86 2cup n ASN 53 Cb 0.57 -3.03 -0.13 0.00 -0.61 0.00 0.00 39.78 36.58 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 -6.22 0.10 0.03 3.52 1.02 -0.90 -5.14 119.74 112.15 2cup s LYS 54 Ca 0.48 0.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.34 2cup s LYS 54 Cb -0.26 0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 2cup s LYS 54 CO 0.59 -0.01 0.81 0.42 -0.92 0.00 0.00 175.35 176.24 2cup s ILE 55 N 0.05 4.76 0.14 2.17 -1.09 -1.26 -2.34 121.20 123.63 2cup s ILE 55 Ca -0.00 1.72 -0.05 0.00 -2.23 0.00 0.00 60.65 60.09 2cup s ILE 55 Cb -0.01 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 2cup s ILE 55 CO 0.00 0.31 0.17 -0.76 -1.23 0.00 0.00 174.94 173.44 2cup s LEU 56 N 0.23 1.39 0.42 2.97 1.43 -0.56 -2.90 118.68 121.66 2cup s LEU 56 Ca 0.41 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 2cup s LEU 56 Cb -0.21 0.78 -0.02 0.00 0.03 0.00 0.00 46.19 46.78 2cup s LEU 56 CO 0.24 -0.80 0.38 0.00 0.23 0.00 0.00 176.35 176.40 2cup h ASN 58 N 1.02 0.58 -0.98 0.00 -0.73 -1.91 0.88 115.58 114.44 2cup h ASN 58 Ca -0.41 -0.19 0.21 0.00 1.87 0.00 0.00 56.30 57.78 2cup h ASN 58 Cb 1.27 -0.15 -0.09 0.00 0.27 0.00 0.00 38.32 39.61 2cup h ASN 58 CO 0.57 0.62 0.62 0.50 -0.37 0.00 0.00 177.43 179.37 2cup h LYS 59 N 0.52 0.55 0.00 6.67 1.63 -1.95 -0.55 116.57 123.45 2cup h LYS 59 Ca 0.13 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2cup h LYS 59 Cb 0.23 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2cup h LYS 59 CO -0.01 0.37 -0.15 0.00 -3.45 0.00 0.00 179.45 176.21 2cup n THR 61 N -3.98 -0.37 -1.51 0.00 -2.24 0.27 -4.49 114.28 101.95 2cup n THR 61 Ca -0.02 1.99 -0.48 0.00 -2.27 0.00 0.00 64.05 63.27 2cup n THR 61 Cb 0.08 -2.84 -0.03 0.00 -2.10 0.00 0.00 70.33 65.44 2cup n THR 61 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2cup n THR 62 N -5.37 1.57 -1.60 4.28 5.66 -0.23 -4.71 114.28 113.89 2cup n THR 62 Ca 0.18 -0.39 -0.61 0.00 -3.05 0.00 0.00 64.05 60.18 2cup n THR 62 Cb 0.57 -0.54 -0.08 0.00 -1.55 0.00 0.00 70.33 68.73 2cup n THR 62 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2cup n ARG 63 N 1.13 0.24 -0.00 1.09 3.00 -1.26 -4.85 116.66 116.01 2cup n ARG 63 Ca 0.15 0.09 -0.01 0.00 -0.01 0.00 0.00 57.85 58.07 2cup n ARG 63 Cb 0.26 -1.62 -0.00 0.00 0.00 0.00 0.00 32.46 31.09 2cup n ARG 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2cup n GLU 64 N 2.66 0.01 -1.54 5.56 -0.58 -1.26 -4.93 120.64 120.56 2cup n GLU 64 Ca 0.23 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.84 2cup n GLU 64 Cb 0.06 -0.61 -0.09 0.00 -0.57 0.00 0.00 31.44 30.23 2cup n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2cup n ASP 65 N -2.93 1.33 -3.56 1.62 5.75 -1.26 -4.87 116.55 112.62 2cup n ASP 65 Ca -0.01 -1.66 -0.32 0.00 -0.01 0.00 0.00 54.79 52.79 2cup n ASP 65 Cb 0.51 -1.57 0.03 0.00 -1.03 0.00 0.00 41.12 39.06 2cup n ASP 65 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2cup n SER 66 N 17.66 -4.73 -3.13 -1.12 7.64 -1.26 -4.94 113.62 123.75 2cup n SER 66 Ca 0.46 0.27 -0.18 0.00 1.01 0.00 0.00 58.87 60.43 2cup n SER 66 Cb 0.42 -0.69 0.15 0.00 -1.01 0.00 0.00 64.21 63.08 2cup n SER 66 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2cup n PRO 67 N 1.95 -2.30 -3.65 1.43 -0.04 -1.26 -4.95 135.00 126.19 2cup n PRO 67 Ca 0.01 -1.05 -0.13 0.00 -0.04 0.00 0.00 63.50 62.29 2cup n PRO 67 Cb 0.47 -0.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.89 2cup n PRO 67 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2cup s LYS 68 N -4.48 0.95 0.44 0.54 -2.85 -1.26 -3.14 119.74 109.93 2cup s LYS 68 Ca 0.42 -0.36 -0.00 0.00 -1.00 0.00 0.00 55.97 55.04 2cup s LYS 68 Cb -0.04 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 2cup s LYS 68 CO 0.33 -0.33 0.66 0.00 0.10 0.00 0.00 175.35 176.11 2cup n LYS 70 N -2.05 2.50 -0.03 0.00 0.00 -1.26 -3.28 118.16 114.04 2cup n LYS 70 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 2cup n LYS 70 Cb 0.57 -1.22 -0.05 0.00 0.00 0.00 0.00 35.03 34.32 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 1.68 0.21 0.00 3.14 0.00 -1.95 -3.32 103.07 102.83 2cup h GLY 71 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2cup h GLY 71 CO 0.01 0.10 -0.78 0.00 0.00 0.00 0.00 176.54 175.87 2cup n PHE 73 N -1.43 -1.80 -4.80 0.00 3.01 -1.21 -5.03 117.46 106.20 2cup n PHE 73 Ca 0.00 0.76 -0.27 0.00 1.01 0.00 0.00 57.45 58.95 2cup n PHE 73 Cb 0.16 -4.46 -0.15 0.00 -0.01 0.00 0.00 39.48 35.03 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2cup s LYS 74 N -5.03 1.55 -0.00 -1.08 1.02 -1.26 -4.87 119.74 110.07 2cup s LYS 74 Ca 0.03 -0.91 -0.34 0.00 0.02 0.00 0.00 55.97 54.77 2cup s LYS 74 Cb -0.00 -1.62 -0.13 0.00 -0.52 0.00 0.00 37.83 35.56 2cup s LYS 74 CO 0.59 0.43 1.76 0.00 -0.92 0.00 0.00 175.35 177.21 2cup n ALA 75 N 2.05 0.97 -1.90 5.17 0.00 -1.26 -2.26 120.51 123.28 2cup n ALA 75 Ca -0.17 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 2cup n ALA 75 Cb 0.53 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.48 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 2.89 4.45 -0.03 0.00 1.01 -1.19 -4.92 121.20 123.41 2cup s ILE 76 Ca 0.88 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 62.89 2cup s ILE 76 Cb -0.70 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2cup s ILE 76 CO 0.47 -0.23 0.09 -0.69 0.00 0.00 0.00 174.94 174.58 2cup s VAL 77 N -2.06 4.86 0.12 2.92 1.01 -1.26 -4.63 120.40 121.35 2cup s VAL 77 Ca 0.58 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 2cup s VAL 77 Cb -0.10 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.00 2cup s VAL 77 CO 0.15 0.41 1.61 0.00 0.00 0.00 0.00 175.10 177.27 2cup h ALA 78 N 4.29 -0.60 -0.60 5.51 0.00 -2.00 -2.20 119.26 123.66 2cup h ALA 78 Ca -0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2cup h ALA 78 Cb 1.19 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2cup h ALA 78 CO 0.62 -0.90 0.33 0.78 0.00 0.00 0.00 179.25 180.07 2cup h GLY 79 N -0.57 0.88 -3.62 0.00 0.00 -2.05 -3.43 103.07 94.28 2cup h GLY 79 Ca 0.03 -0.38 -0.53 0.00 0.00 0.00 0.00 47.33 46.45 2cup h GLY 79 CO -0.23 0.37 0.68 0.99 0.00 0.00 0.00 176.54 178.35 2cup s ASP 80 N -6.51 6.29 0.28 0.19 1.11 -0.83 -4.96 116.67 112.25 2cup s ASP 80 Ca -0.10 2.81 -0.29 0.00 0.18 0.00 0.00 52.55 55.15 2cup s ASP 80 Cb 0.17 -2.65 -0.10 0.00 1.07 0.00 0.00 42.92 41.41 2cup s ASP 80 CO 0.78 -0.88 1.21 -1.10 1.18 0.00 0.00 175.17 176.35 2cup s GLN 81 N -2.18 4.49 0.05 8.23 -1.52 -1.26 -4.71 119.66 122.76 2cup s GLN 81 Ca 0.55 1.99 0.02 0.00 -1.95 0.00 0.00 55.36 55.97 2cup s GLN 81 Cb -0.42 -3.15 -0.03 0.00 -0.22 0.00 0.00 33.01 29.19 2cup s GLN 81 CO 0.55 -0.02 -0.07 -0.80 -0.25 0.00 0.00 175.29 174.70 2cup s ASN 82 N -0.48 0.85 -0.26 5.90 0.01 -1.26 -2.71 114.94 116.98 2cup s ASN 82 Ca 0.48 -0.60 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 2cup s ASN 82 Cb -0.35 0.05 0.07 0.00 0.41 0.00 0.00 41.25 41.42 2cup s ASN 82 CO 0.44 -0.24 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.03 2cup s VAL 83 N -1.64 1.95 -0.27 1.60 1.01 -0.07 -4.83 120.40 118.15 2cup s VAL 83 Ca -0.08 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 2cup s VAL 83 Cb -0.08 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2cup s VAL 83 CO -0.00 -0.13 0.76 -0.70 0.00 0.00 0.00 175.10 175.02 2cup s GLU 84 N 1.18 4.07 -1.05 2.72 2.12 -1.26 0.42 118.70 126.91 2cup s GLU 84 Ca -0.05 0.69 -0.02 0.00 0.36 0.00 0.00 54.97 55.95 2cup s GLU 84 Cb -0.19 -3.68 0.32 0.00 0.26 0.00 0.00 34.13 30.83 2cup s GLU 84 CO -0.06 -0.56 1.75 0.98 -0.54 0.00 0.00 175.26 176.82 2cup n TYR 85 N 6.02 2.63 -2.96 5.30 4.19 0.12 -4.68 117.16 127.78 2cup n TYR 85 Ca 0.03 -2.56 -0.16 0.00 3.31 0.00 0.00 57.90 58.52 2cup n TYR 85 Cb 0.48 -1.22 0.04 0.00 0.49 0.00 0.00 39.34 39.13 2cup n TYR 85 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2cup n LYS 86 N 0.31 -4.18 0.00 2.98 5.02 -1.26 -4.37 118.16 116.65 2cup n LYS 86 Ca 0.42 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 2cup n LYS 86 Cb 0.28 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 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 -1.38 0.14 3.81 0.72 0.00 -1.26 -5.12 105.19 102.09 2cup n GLY 87 Ca -0.04 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2cup n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cup s THR 88 N 0.00 4.36 -0.28 2.61 2.01 -1.26 -4.97 115.64 118.11 2cup s THR 88 Ca 0.00 1.55 -0.03 0.00 0.31 0.00 0.00 61.69 63.52 2cup s THR 88 Cb 0.00 -3.69 0.03 0.00 0.01 0.00 0.00 72.50 68.85 2cup s THR 88 CO 0.00 -0.21 -0.01 0.68 -0.69 0.00 0.00 174.62 174.39 2cup s VAL 89 N -2.05 3.17 -0.07 3.82 -7.23 -1.25 0.16 120.40 116.94 2cup s VAL 89 Ca 0.59 -1.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.55 2cup s VAL 89 Cb -0.11 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 2cup s VAL 89 CO 0.15 0.07 0.39 0.26 -0.31 0.00 0.00 175.10 175.67 2cup s TRP 90 N 1.34 3.60 0.04 2.82 0.52 0.17 -3.76 118.94 123.68 2cup s TRP 90 Ca -0.01 0.86 -0.36 0.00 0.02 0.00 0.00 56.10 56.61 2cup s TRP 90 Cb -0.18 -2.36 -0.15 0.00 -1.15 0.00 0.00 33.47 29.63 2cup s TRP 90 CO -0.02 0.42 1.54 0.72 0.02 0.00 0.00 176.95 179.63 2cup n HIS 91 N 2.75 1.94 -0.49 -1.98 8.25 -1.26 -0.89 115.22 123.55 2cup n HIS 91 Ca -0.12 0.42 0.37 0.00 -0.26 0.00 0.00 57.72 58.14 2cup n HIS 91 Cb 0.52 -2.46 0.59 0.00 1.12 0.00 0.00 29.99 29.75 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 3.69 -0.01 -0.01 -0.41 3.00 -1.10 0.47 118.16 123.79 2cup n LYS 92 Ca 0.19 0.83 -0.01 0.00 -0.00 0.00 0.00 58.31 59.32 2cup n LYS 92 Cb 0.23 -1.85 -0.01 0.00 0.00 0.00 0.00 35.03 33.40 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 -0.07 -1.08 3.14 3.32 -1.87 -3.32 116.42 116.53 2cup h ASP 93 Ca 0.69 -0.00 0.30 0.00 0.02 0.00 0.00 57.03 58.03 2cup h ASP 93 Cb 2.64 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 42.14 2cup h ASP 93 CO -0.09 0.42 0.74 0.00 -1.72 0.00 0.00 179.24 178.59 2cup s PHE 95 N -5.22 2.53 -1.26 0.00 2.19 -0.07 -4.89 117.98 111.27 2cup s PHE 95 Ca -0.07 -0.96 -0.13 0.00 0.33 0.00 0.00 56.93 56.09 2cup s PHE 95 Cb 0.24 -4.60 0.15 0.00 -1.31 0.00 0.00 43.02 37.50 2cup s PHE 95 CO 0.80 -1.77 1.65 0.45 1.83 0.00 0.00 175.22 178.17 2cup n SER 96 N 9.68 5.06 0.00 6.13 2.88 -1.24 -4.86 113.62 131.27 2cup n SER 96 Ca 0.43 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.97 2cup n SER 96 Cb 0.48 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 2cup n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cup n GLY 97 N 3.94 0.40 3.65 0.46 0.00 -1.26 -5.00 105.19 107.38 2cup n GLY 97 Ca 0.40 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 2.80 4.05 0.06 1.61 0.04 -1.26 -5.00 135.00 137.30 2cup s PRO 98 Ca 0.00 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 2cup s PRO 98 Cb 0.00 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2cup s PRO 98 CO 0.00 -0.98 0.00 -1.54 0.04 0.00 0.00 177.00 174.52 2cup s SER 99 N 3.38 0.43 -0.02 6.66 1.04 -1.26 -5.08 113.70 118.85 2cup s SER 99 Ca 0.69 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 2cup s SER 99 Cb -0.28 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 2cup s SER 99 CO 0.26 -0.63 -0.02 -1.20 0.98 0.00 0.00 173.24 172.63 2cup n SER 100 N 0.07 1.12 0.00 7.02 7.64 -1.26 -5.30 113.62 122.92 2cup n SER 100 Ca -0.13 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2cup n SER 100 Cb 0.61 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64