#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 0.00 0.00 1.61 4.64 -2.12 -3.42 113.55 114.26 2cup h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2cup h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2cup h SER 2 CO 0.00 0.18 -0.35 -1.20 -0.87 0.00 0.00 176.83 174.59 2cup n SER 3 N -2.85 0.33 -2.86 4.97 7.64 -1.26 -5.12 113.62 114.48 2cup n SER 3 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.82 2cup n SER 3 Cb 0.63 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.84 2cup n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 4 N 2.06 -2.70 2.65 0.23 0.00 -1.26 -5.03 105.19 101.14 2cup n GLY 4 Ca 0.00 0.71 -0.26 0.00 0.00 0.00 0.00 46.02 46.48 2cup n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cup s SER 5 N -1.86 2.31 -0.09 1.61 0.01 -1.26 -5.11 113.70 109.30 2cup s SER 5 Ca 0.10 -0.56 -0.38 0.00 1.31 0.00 0.00 55.95 56.42 2cup s SER 5 Cb -0.02 -0.32 -0.16 0.00 0.21 0.00 0.00 66.02 65.73 2cup s SER 5 CO 0.71 -0.32 1.55 -0.24 0.41 0.00 0.00 173.24 175.35 2cup n SER 6 N 5.23 2.07 -4.57 2.44 2.88 -1.26 -4.85 113.62 115.56 2cup n SER 6 Ca -0.07 1.09 -0.28 0.00 -1.33 0.00 0.00 58.87 58.28 2cup n SER 6 Cb 0.49 -1.17 -0.09 0.00 -0.75 0.00 0.00 64.21 62.68 2cup n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cup s GLY 7 N 2.05 2.62 0.11 0.46 0.00 -1.26 -2.33 107.32 108.96 2cup s GLY 7 Ca 0.91 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.05 2cup s GLY 7 CO 0.56 -2.04 0.45 0.00 0.00 0.00 0.00 173.10 172.06 2cup n VAL 9 N 0.71 0.08 -0.07 0.00 0.24 -1.14 -2.50 118.33 115.65 2cup n VAL 9 Ca -0.06 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 61.94 2cup n VAL 9 Cb 0.52 0.41 -0.05 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.00 -0.02 7.34 4.22 -1.94 -3.38 114.58 120.80 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 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2cup h GLU 10 CO 0.00 0.39 -0.14 0.00 -2.18 0.00 0.00 179.01 177.08 2cup n ARG 12 N 0.27 -2.16 -4.23 0.00 5.12 -1.04 -4.95 116.66 109.68 2cup n ARG 12 Ca 0.14 0.65 -0.25 0.00 -1.93 0.00 0.00 57.85 56.46 2cup n ARG 12 Cb 0.44 -5.25 -0.07 0.00 -1.16 0.00 0.00 32.46 26.41 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 -5.02 2.40 0.34 5.56 -0.14 -1.24 -4.84 119.74 116.80 2cup s LYS 13 Ca 0.00 -1.20 -0.28 0.00 -1.36 0.00 0.00 55.97 53.14 2cup s LYS 13 Cb 0.00 -2.31 -0.09 0.00 -1.68 0.00 0.00 37.83 33.75 2cup s LYS 13 CO 0.00 0.43 1.21 -1.25 -0.76 0.00 0.00 175.35 174.98 2cup s PRO 14 N -3.21 4.32 -0.11 -1.68 0.04 -1.26 -0.08 135.00 133.03 2cup s PRO 14 Ca 0.29 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2cup s PRO 14 Cb -0.08 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2cup s PRO 14 CO 0.19 -0.14 0.05 0.42 0.04 0.00 0.00 177.00 177.56 2cup s ILE 15 N -1.23 4.69 0.82 0.56 1.01 -0.98 -4.84 121.20 121.23 2cup s ILE 15 Ca 0.50 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 2cup s ILE 15 Cb -0.35 -3.01 0.11 0.00 0.01 0.00 0.00 42.46 39.22 2cup s ILE 15 CO 0.46 0.60 1.16 -0.83 0.00 0.00 0.00 174.94 176.32 2cup s GLY 16 N -0.79 1.69 -0.03 6.18 0.00 -1.26 -4.77 107.32 108.34 2cup s GLY 16 Ca 0.12 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.63 2cup s GLY 16 CO 0.03 -0.45 0.93 0.00 0.00 0.00 0.00 173.10 173.61 2cup h ALA 17 N -1.05 -0.08 -0.25 3.20 0.00 -1.99 -3.33 119.26 115.76 2cup h ALA 17 Ca -0.44 -0.70 -0.14 0.00 0.00 0.00 0.00 54.91 53.63 2cup h ALA 17 Cb 1.29 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2cup h ALA 17 CO 0.53 0.41 -0.42 0.22 0.00 0.00 0.00 179.25 179.99 2cup h ASP 18 N -0.29 0.65 -2.34 0.00 1.82 -2.06 -3.43 116.42 110.77 2cup h ASP 18 Ca -0.15 -0.30 -0.54 0.00 -0.39 0.00 0.00 57.03 55.66 2cup h ASP 18 Cb 1.67 -0.18 0.02 0.00 0.68 0.00 0.00 39.33 41.51 2cup h ASP 18 CO 0.16 0.99 1.23 -1.54 -1.61 0.00 0.00 179.24 178.47 2cup n SER 19 N -4.02 4.13 -4.58 2.28 3.41 -1.25 -4.88 113.62 108.70 2cup n SER 19 Ca -0.02 0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 59.09 2cup n SER 19 Cb 0.53 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.93 2cup n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2cup s LYS 20 N 4.40 2.99 0.48 4.33 3.01 -1.26 -4.75 119.74 128.94 2cup s LYS 20 Ca 0.89 1.08 0.07 0.00 -1.01 0.00 0.00 55.97 57.00 2cup s LYS 20 Cb -0.45 -4.29 0.02 0.00 -1.01 0.00 0.00 37.83 32.10 2cup s LYS 20 CO 0.43 -2.28 0.47 -1.83 0.51 0.00 0.00 175.35 172.64 2cup s GLU 21 N 6.34 2.42 -0.28 1.68 4.04 -1.26 -3.17 118.70 128.47 2cup s GLU 21 Ca 0.75 -1.69 0.02 0.00 0.04 0.00 0.00 54.97 54.09 2cup s GLU 21 Cb -0.18 -2.36 0.08 0.00 0.02 0.00 0.00 34.13 31.69 2cup s GLU 21 CO 0.28 -0.45 -0.02 0.08 -1.84 0.00 0.00 175.26 173.31 2cup s VAL 22 N -2.59 1.81 -0.29 1.83 1.01 -0.63 -4.95 120.40 116.58 2cup s VAL 22 Ca 0.46 -1.64 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 2cup s VAL 22 Cb -0.04 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 2cup s VAL 22 CO 0.28 -0.28 0.61 -2.28 0.00 0.00 0.00 175.10 173.43 2cup s HIS 23 N 1.22 3.23 -0.17 5.22 5.04 -1.26 -2.10 115.29 126.46 2cup s HIS 23 Ca -0.00 0.61 -0.14 0.00 -1.54 0.00 0.00 55.06 53.99 2cup s HIS 23 Cb -0.19 -2.94 0.05 0.00 0.04 0.00 0.00 32.58 29.54 2cup s HIS 23 CO -0.09 -0.44 0.45 -0.47 -2.34 0.00 0.00 174.74 171.86 2cup s TYR 24 N 2.56 -0.55 -1.42 3.88 5.04 -0.97 -4.91 117.35 120.98 2cup s TYR 24 Ca 0.25 1.27 -0.05 0.00 -2.44 0.00 0.00 57.07 56.10 2cup s TYR 24 Cb -0.15 0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.41 2cup s TYR 24 CO 0.11 -0.28 0.70 1.63 -1.34 0.00 0.00 175.55 176.37 2cup n LYS 25 N 3.28 -4.52 -2.85 4.97 4.76 -1.26 -0.51 118.16 122.02 2cup n LYS 25 Ca -0.16 0.54 -0.21 0.00 -2.87 0.00 0.00 58.31 55.60 2cup n LYS 25 Cb 0.56 -5.08 0.02 0.00 -1.84 0.00 0.00 35.03 28.69 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 -2.95 -5.62 -3.66 4.39 4.13 -1.26 -4.97 115.26 105.32 2cup n ASN 26 Ca -0.19 -0.19 -0.23 0.00 1.68 0.00 0.00 54.58 55.65 2cup n ASN 26 Cb 0.63 -4.60 -0.06 0.00 -1.54 0.00 0.00 39.78 34.21 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2cup n ARG 27 N -3.64 0.64 -3.65 3.52 1.74 0.33 -5.14 116.66 110.46 2cup n ARG 27 Ca -0.14 -3.09 -0.06 0.00 -0.77 0.00 0.00 57.85 53.79 2cup n ARG 27 Cb 0.63 1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 33.63 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 -2.90 -1.08 -0.02 -1.55 0.40 -1.25 -2.28 117.98 109.30 2cup s PHE 28 Ca 0.17 2.08 0.06 0.00 -0.60 0.00 0.00 56.93 58.64 2cup s PHE 28 Cb 0.01 0.63 -0.01 0.00 0.51 0.00 0.00 43.02 44.15 2cup s PHE 28 CO 0.12 -0.54 -0.19 -1.58 0.70 0.00 0.00 175.22 173.73 2cup s TRP 29 N 1.92 1.71 0.62 0.36 0.51 -0.89 -2.90 118.94 120.26 2cup s TRP 29 Ca -0.09 -0.34 -0.18 0.00 -2.12 0.00 0.00 56.10 53.37 2cup s TRP 29 Cb -0.07 -1.11 -0.02 0.00 -0.81 0.00 0.00 33.47 31.46 2cup s TRP 29 CO -0.19 -0.04 1.20 -1.01 -0.51 0.00 0.00 176.95 176.40 2cup s HIS 30 N -0.40 2.36 0.43 -1.98 3.76 -1.26 -1.60 115.29 116.60 2cup s HIS 30 Ca 0.06 1.53 0.19 0.00 -0.15 0.00 0.00 55.06 56.70 2cup s HIS 30 Cb -0.08 -3.45 1.05 0.00 1.11 0.00 0.00 32.58 31.21 2cup s HIS 30 CO -0.00 -2.22 1.55 0.38 -0.85 0.00 0.00 174.74 173.59 2cup h ASP 31 N 0.64 0.00 0.00 1.40 3.04 -1.91 1.00 116.42 120.58 2cup h ASP 31 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 2cup h ASP 31 Cb 1.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 2cup h ASP 31 CO 0.54 0.00 -1.37 1.07 -2.04 0.00 0.00 179.24 177.44 2cup n THR 32 N -2.51 0.00 -0.06 1.15 5.66 -1.26 -4.57 114.28 112.69 2cup n THR 32 Ca -0.01 -0.28 -0.21 0.00 -3.05 0.00 0.00 64.05 60.49 2cup n THR 32 Cb 0.45 0.44 -0.13 0.00 -1.55 0.00 0.00 70.33 69.55 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cup n PHE 34 N -4.14 1.68 -3.75 0.00 7.35 0.55 -4.87 117.46 114.28 2cup n PHE 34 Ca -0.30 0.01 -0.06 0.00 -0.76 0.00 0.00 57.45 56.34 2cup n PHE 34 Cb 0.79 -2.68 -0.02 0.00 0.35 0.00 0.00 39.48 37.93 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 7.35 1.40 1.07 -4.13 1.70 -1.26 -3.60 118.95 121.48 2cup s ARG 35 Ca 1.00 -0.74 -0.12 0.00 -0.47 0.00 0.00 55.73 55.39 2cup s ARG 35 Cb -0.27 0.49 0.23 0.00 -0.57 0.00 0.00 34.95 34.83 2cup s ARG 35 CO 0.31 -0.64 1.06 0.00 -1.08 0.00 0.00 175.30 174.96 2cup n ALA 37 N -4.60 3.70 -0.11 0.00 0.00 -1.16 -3.30 120.51 115.04 2cup n ALA 37 Ca 0.05 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 2cup n ALA 37 Cb 0.54 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.30 0.47 0.00 0.00 4.81 -1.26 -4.67 118.16 116.21 2cup n LYS 38 Ca 0.02 0.19 0.08 0.00 -0.87 0.00 0.00 58.31 57.73 2cup n LYS 38 Cb 0.20 -1.29 -0.08 0.00 0.02 0.00 0.00 35.03 33.88 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 -1.21 -3.60 -4.57 0.00 7.99 -1.21 -4.94 117.00 109.46 2cup n LEU 40 Ca 0.04 -0.69 -0.34 0.00 -0.01 0.00 0.00 56.01 55.01 2cup n LEU 40 Cb 0.28 -2.93 -0.11 0.00 -0.11 0.00 0.00 43.42 40.55 2cup n LEU 40 CO 0.33 0.42 -0.32 -2.28 -1.51 0.00 0.00 177.39 174.03 2cup s HIS 41 N -3.46 3.11 -0.19 -1.77 2.46 -1.26 -4.63 115.29 109.56 2cup s HIS 41 Ca 0.08 -0.09 -0.29 0.00 0.47 0.00 0.00 55.06 55.22 2cup s HIS 41 Cb -0.04 -1.95 -0.03 0.00 -0.13 0.00 0.00 32.58 30.43 2cup s HIS 41 CO 0.76 0.12 1.59 -1.25 -2.47 0.00 0.00 174.74 173.49 2cup s PRO 42 N 0.10 3.90 -0.12 2.88 0.04 -1.26 0.11 135.00 140.65 2cup s PRO 42 Ca 0.01 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.84 2cup s PRO 42 Cb -0.13 -4.00 0.26 0.00 0.04 0.00 0.00 34.50 30.67 2cup s PRO 42 CO 0.02 -1.16 1.14 1.28 0.04 0.00 0.00 177.00 178.32 2cup n LEU 43 N 8.04 3.52 -0.02 -3.56 7.99 -1.24 -4.21 117.00 127.52 2cup n LEU 43 Ca 0.18 -1.81 -0.02 0.00 -0.01 0.00 0.00 56.01 54.35 2cup n LEU 43 Cb 0.45 -0.59 0.24 0.00 -0.11 0.00 0.00 43.42 43.41 2cup n LEU 43 CO 0.63 0.54 0.87 0.00 -1.51 0.00 0.00 177.39 177.93 2cup h ALA 44 N 2.15 1.25 -0.00 -1.18 0.00 -1.90 -3.18 119.26 116.40 2cup h ALA 44 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cup h ALA 44 Cb 1.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2cup h ALA 44 CO 0.28 0.50 -0.15 0.09 0.00 0.00 0.00 179.25 179.97 2cup n ASN 45 N -4.23 0.59 -4.37 0.00 3.02 -1.26 -5.01 115.26 104.00 2cup n ASN 45 Ca 0.01 -0.79 -0.29 0.00 -0.03 0.00 0.00 54.58 53.48 2cup n ASN 45 Cb 0.30 0.70 -0.14 0.00 -0.61 0.00 0.00 39.78 40.03 2cup n ASN 45 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2cup s GLU 46 N -1.13 1.52 1.05 3.52 2.12 -1.20 -5.12 118.70 119.46 2cup s GLU 46 Ca 0.03 -1.26 -0.17 0.00 0.36 0.00 0.00 54.97 53.93 2cup s GLU 46 Cb 0.04 -1.90 0.06 0.00 0.26 0.00 0.00 34.13 32.59 2cup s GLU 46 CO 0.15 0.47 0.07 0.25 -0.54 0.00 0.00 175.26 175.66 2cup n THR 47 N 1.21 0.00 -3.98 -1.70 -2.24 -1.26 -4.47 114.28 101.84 2cup n THR 47 Ca -0.18 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 2cup n THR 47 Cb 0.53 -0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.28 0.45 -0.03 4.78 -0.12 -1.26 -4.56 117.98 114.96 2cup s PHE 48 Ca 0.55 -0.84 -0.01 0.00 -0.05 0.00 0.00 56.93 56.58 2cup s PHE 48 Cb -0.14 -0.16 0.03 0.00 -0.63 0.00 0.00 43.02 42.11 2cup s PHE 48 CO 0.67 -0.63 0.07 0.08 -0.05 0.00 0.00 175.22 175.36 2cup s VAL 49 N -3.96 -0.05 -0.27 -2.49 1.01 0.19 -4.91 120.40 109.93 2cup s VAL 49 Ca 0.16 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.28 2cup s VAL 49 Cb 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.33 2cup s VAL 49 CO -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 175.10 175.12 2cup s ALA 50 N 0.92 2.77 -0.01 5.51 0.00 -1.26 0.06 121.76 129.74 2cup s ALA 50 Ca -0.07 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.35 2cup s ALA 50 Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2cup s ALA 50 CO -0.03 -0.97 -0.05 0.15 0.00 0.00 0.00 175.76 174.86 2cup s LYS 51 N 1.32 0.48 -1.41 0.00 3.01 -0.39 -4.83 119.74 117.91 2cup s LYS 51 Ca -0.01 -0.16 -0.08 0.00 -1.01 0.00 0.00 55.97 54.71 2cup s LYS 51 Cb -0.18 -0.49 0.04 0.00 -1.01 0.00 0.00 37.83 36.20 2cup s LYS 51 CO -0.03 0.07 0.97 -0.25 0.51 0.00 0.00 175.35 176.62 2cup n ASP 52 N 3.21 -4.14 -3.77 2.83 8.00 -1.26 -1.37 116.55 120.05 2cup n ASP 52 Ca -0.16 -0.72 -0.28 0.00 0.71 0.00 0.00 54.79 54.34 2cup n ASP 52 Cb 0.56 -4.31 0.04 0.00 -0.02 0.00 0.00 41.12 37.40 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cup n ASN 53 N -2.95 -5.31 -3.80 -2.24 5.03 -1.26 -4.98 115.26 99.75 2cup n ASN 53 Ca -0.07 -0.67 -0.13 0.00 0.87 0.00 0.00 54.58 54.57 2cup n ASN 53 Cb 0.58 -4.22 -0.14 0.00 -1.02 0.00 0.00 39.78 34.97 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2cup s LYS 54 N -6.48 0.05 -0.04 3.52 1.02 -0.47 -5.14 119.74 112.20 2cup s LYS 54 Ca 0.62 0.19 -0.23 0.00 0.02 0.00 0.00 55.97 56.58 2cup s LYS 54 Cb -0.30 -0.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 2cup s LYS 54 CO 0.77 -0.10 0.68 0.42 -0.92 0.00 0.00 175.35 176.20 2cup s ILE 55 N 0.64 4.98 0.09 2.17 -1.09 -1.26 -1.27 121.20 125.46 2cup s ILE 55 Ca -0.05 1.40 -0.10 0.00 -2.23 0.00 0.00 60.65 59.68 2cup s ILE 55 Cb -0.07 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 2cup s ILE 55 CO -0.02 0.31 0.21 -0.76 -1.23 0.00 0.00 174.94 173.45 2cup s LEU 56 N 0.46 1.30 0.35 2.97 1.43 0.11 -3.00 118.68 122.31 2cup s LEU 56 Ca 0.36 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 2cup s LEU 56 Cb -0.18 1.12 -0.01 0.00 0.03 0.00 0.00 46.19 47.15 2cup s LEU 56 CO 0.18 -0.73 0.50 0.00 0.23 0.00 0.00 176.35 176.53 2cup h ASN 58 N 0.81 0.43 -0.00 0.00 7.08 -1.91 0.20 115.58 122.19 2cup h ASN 58 Ca -0.46 -0.05 -0.02 0.00 -3.08 0.00 0.00 56.30 52.69 2cup h ASN 58 Cb 1.25 -0.11 -0.01 0.00 -2.08 0.00 0.00 38.32 37.38 2cup h ASN 58 CO 0.54 0.42 -0.04 0.11 -2.08 0.00 0.00 177.43 176.38 2cup h LYS 59 N 0.47 0.13 0.05 4.14 1.57 -1.96 -3.07 116.57 117.91 2cup h LYS 59 Ca 0.12 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.56 2cup h LYS 59 Cb 0.15 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2cup h LYS 59 CO -0.01 0.19 -1.76 0.00 -0.57 0.00 0.00 179.45 177.30 2cup n THR 61 N -3.94 -0.39 -0.65 0.00 -2.24 0.63 -4.27 114.28 103.42 2cup n THR 61 Ca -0.35 2.02 -0.23 0.00 -2.27 0.00 0.00 64.05 63.22 2cup n THR 61 Cb 0.87 -3.03 0.12 0.00 -2.10 0.00 0.00 70.33 66.20 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 -5.32 0.00 -1.18 4.28 5.66 -1.17 -4.71 114.28 111.84 2cup n THR 62 Ca 0.25 -0.10 -0.29 0.00 -3.05 0.00 0.00 64.05 60.87 2cup n THR 62 Cb 0.84 -0.41 -0.08 0.00 -1.55 0.00 0.00 70.33 69.14 2cup n THR 62 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2cup n ARG 63 N -0.91 3.05 -1.36 1.09 0.00 -1.26 -4.34 116.66 112.93 2cup n ARG 63 Ca 0.03 -1.75 -0.10 0.00 -0.00 0.00 0.00 57.85 56.03 2cup n ARG 63 Cb 0.45 -2.50 0.11 0.00 0.00 0.00 0.00 32.46 30.52 2cup n ARG 63 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2cup n GLU 64 N 3.21 2.64 -3.87 -0.14 -0.00 -1.26 -4.89 120.64 116.34 2cup n GLU 64 Ca 0.65 -3.75 -0.29 0.00 -0.00 0.00 0.00 57.16 53.76 2cup n GLU 64 Cb 0.47 -1.96 -0.11 0.00 -0.00 0.00 0.00 31.44 29.84 2cup n GLU 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2cup s ASP 65 N -3.43 4.97 0.99 -1.84 1.01 -1.26 -5.04 116.67 112.08 2cup s ASP 65 Ca 0.45 -3.78 -0.17 0.00 0.71 0.00 0.00 52.55 49.76 2cup s ASP 65 Cb 0.39 -1.68 -0.09 0.00 1.01 0.00 0.00 42.92 42.55 2cup s ASP 65 CO -0.01 -0.11 -0.49 -1.20 0.21 0.00 0.00 175.17 173.56 2cup n SER 66 N 2.11 -4.39 -4.77 0.27 7.64 -1.26 -4.89 113.62 108.33 2cup n SER 66 Ca 0.19 0.19 -0.37 0.00 1.01 0.00 0.00 58.87 59.89 2cup n SER 66 Cb 0.35 -0.87 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 2cup n SER 66 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2cup s PRO 67 N -2.55 3.68 0.02 1.43 0.04 -1.26 -4.95 135.00 131.41 2cup s PRO 67 Ca 0.45 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.29 2cup s PRO 67 Cb -0.15 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 2cup s PRO 67 CO 0.76 -0.61 -0.15 0.15 0.04 0.00 0.00 177.00 177.19 2cup s LYS 68 N -2.81 1.03 0.79 4.56 1.02 -1.26 -1.38 119.74 121.70 2cup s LYS 68 Ca 0.65 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.83 2cup s LYS 68 Cb -0.28 -1.04 0.07 0.00 -0.52 0.00 0.00 37.83 36.06 2cup s LYS 68 CO 0.33 0.27 1.13 0.00 -0.92 0.00 0.00 175.35 176.16 2cup n LYS 70 N -3.32 1.10 0.08 0.00 0.00 -1.26 -3.33 118.16 111.43 2cup n LYS 70 Ca 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 58.31 58.21 2cup n LYS 70 Cb 0.59 -1.13 -0.14 0.00 0.00 0.00 0.00 35.03 34.35 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 1.01 0.22 0.00 3.14 0.00 -1.93 -3.39 103.07 102.13 2cup h GLY 71 Ca -0.04 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2cup h GLY 71 CO 0.00 0.49 -0.58 0.00 0.00 0.00 0.00 176.54 176.46 2cup n PHE 73 N -1.10 -2.03 -4.56 0.00 3.72 -1.21 -5.01 117.46 107.27 2cup n PHE 73 Ca 0.00 0.85 -0.30 0.00 -0.05 0.00 0.00 57.45 57.95 2cup n PHE 73 Cb 0.00 -4.75 -0.13 0.00 -0.94 0.00 0.00 39.48 33.66 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 -5.32 1.68 -0.25 -1.08 1.02 -1.26 -4.81 119.74 109.71 2cup s LYS 74 Ca 0.06 -1.20 -0.34 0.00 0.02 0.00 0.00 55.97 54.51 2cup s LYS 74 Cb -0.03 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 2cup s LYS 74 CO 0.65 0.49 2.09 0.00 -0.92 0.00 0.00 175.35 177.66 2cup n ALA 75 N 1.22 1.08 -1.94 5.17 0.00 -1.26 -2.48 120.51 122.31 2cup n ALA 75 Ca -0.17 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 2cup n ALA 75 Cb 0.53 -2.59 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 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 6.43 4.57 0.05 0.00 1.01 -0.48 -4.96 121.20 127.82 2cup s ILE 76 Ca 1.03 1.13 0.08 0.00 0.00 0.00 0.00 60.65 62.89 2cup s ILE 76 Cb -0.73 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 2cup s ILE 76 CO 0.48 -0.50 -0.23 -0.69 0.00 0.00 0.00 174.94 174.00 2cup s VAL 77 N -2.38 1.85 0.10 2.92 1.01 -1.26 -4.53 120.40 118.10 2cup s VAL 77 Ca 0.58 -1.30 -0.33 0.00 0.00 0.00 0.00 61.98 60.92 2cup s VAL 77 Cb -0.10 -1.60 -0.14 0.00 0.00 0.00 0.00 36.38 34.54 2cup s VAL 77 CO 0.25 0.24 1.58 0.00 0.00 0.00 0.00 175.10 177.17 2cup h ALA 78 N 4.76 -0.92 -0.95 5.51 0.00 -1.99 -2.52 119.26 123.14 2cup h ALA 78 Ca -0.44 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.40 2cup h ALA 78 Cb 1.16 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 2cup h ALA 78 CO 0.43 -1.07 0.61 0.78 0.00 0.00 0.00 179.25 180.00 2cup h GLY 79 N -0.81 1.43 -2.16 0.00 0.00 -2.05 -3.43 103.07 96.05 2cup h GLY 79 Ca -0.02 -0.45 -0.55 0.00 0.00 0.00 0.00 47.33 46.31 2cup h GLY 79 CO -0.16 0.32 -0.01 1.22 0.00 0.00 0.00 176.54 177.92 2cup n ASP 80 N -4.54 0.05 -4.68 0.19 9.92 -0.95 -4.92 116.55 111.62 2cup n ASP 80 Ca 0.14 0.62 -0.42 0.00 -0.53 0.00 0.00 54.79 54.59 2cup n ASP 80 Cb 0.17 -1.37 -0.03 0.00 -0.64 0.00 0.00 41.12 39.25 2cup n ASP 80 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cup s GLN 81 N -3.35 4.38 0.06 -1.24 -1.52 -1.26 -4.82 119.66 111.90 2cup s GLN 81 Ca 0.71 1.31 -0.01 0.00 -1.95 0.00 0.00 55.36 55.42 2cup s GLN 81 Cb -0.33 -3.56 -0.04 0.00 -0.22 0.00 0.00 33.01 28.86 2cup s GLN 81 CO 0.53 -0.35 -0.03 -0.80 -0.25 0.00 0.00 175.29 174.39 2cup s ASN 82 N 1.11 0.56 -0.26 5.90 0.01 -1.26 -2.63 114.94 118.37 2cup s ASN 82 Ca 0.46 -1.00 0.02 0.00 -0.71 0.00 0.00 52.86 51.63 2cup s ASN 82 Cb -0.18 0.19 0.07 0.00 0.41 0.00 0.00 41.25 41.74 2cup s ASN 82 CO 0.15 -0.58 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.41 2cup s VAL 83 N -3.87 1.94 -0.07 1.60 1.01 0.34 -4.66 120.40 116.69 2cup s VAL 83 Ca 0.07 -1.59 -0.17 0.00 0.00 0.00 0.00 61.98 60.29 2cup s VAL 83 Cb 0.08 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2cup s VAL 83 CO -0.09 -0.15 0.46 -0.70 0.00 0.00 0.00 175.10 174.62 2cup s GLU 84 N 1.18 4.22 0.00 2.72 2.12 -1.26 0.13 118.70 127.81 2cup s GLU 84 Ca -0.05 0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2cup s GLU 84 Cb -0.19 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2cup s GLU 84 CO -0.06 0.34 0.00 0.98 -0.54 0.00 0.00 175.26 175.97 2cup n TYR 85 N 3.04 0.00 -3.85 5.30 9.36 -0.96 -4.98 117.16 125.06 2cup n TYR 85 Ca -0.09 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.83 2cup n TYR 85 Cb 0.52 0.05 -0.13 0.00 -0.63 0.00 0.00 39.34 39.14 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 -0.29 1.82 0.00 2.98 1.02 -1.26 -4.88 119.74 119.13 2cup s LYS 86 Ca 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 55.97 53.43 2cup s LYS 86 Cb 0.00 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2cup s LYS 86 CO 0.00 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 173.67 2cup n GLY 87 N 3.01 0.99 3.90 -3.33 0.00 -1.26 -4.88 105.19 103.61 2cup n GLY 87 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 5.29 -0.10 2.61 2.01 -1.26 -5.09 115.64 119.10 2cup s THR 88 Ca 0.00 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2cup s THR 88 Cb 0.00 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.97 2cup s THR 88 CO 0.00 0.19 -0.20 0.68 -0.69 0.00 0.00 174.62 174.59 2cup s VAL 89 N -1.45 1.83 -0.15 3.82 -7.23 -1.26 -2.28 120.40 113.69 2cup s VAL 89 Ca 0.32 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.55 2cup s VAL 89 Cb -0.13 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2cup s VAL 89 CO 0.25 0.51 0.12 0.26 -0.31 0.00 0.00 175.10 175.93 2cup s TRP 90 N 0.58 3.47 0.40 2.82 0.52 0.34 -4.23 118.94 122.85 2cup s TRP 90 Ca -0.14 0.40 -0.23 0.00 0.02 0.00 0.00 56.10 56.15 2cup s TRP 90 Cb -0.17 -2.02 -0.13 0.00 -1.15 0.00 0.00 33.47 30.01 2cup s TRP 90 CO 0.04 0.51 0.61 0.72 0.02 0.00 0.00 176.95 178.86 2cup n HIS 91 N 2.66 -0.24 -0.41 -1.98 8.25 -1.26 0.13 115.22 122.37 2cup n HIS 91 Ca -0.18 0.62 0.36 0.00 -0.26 0.00 0.00 57.72 58.26 2cup n HIS 91 Cb 0.54 -2.03 0.61 0.00 1.12 0.00 0.00 29.99 30.23 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 0.58 -0.04 -0.05 -0.41 3.00 -1.08 -0.25 118.16 119.91 2cup n LYS 92 Ca 0.11 1.19 -0.06 0.00 -0.00 0.00 0.00 58.31 59.56 2cup n LYS 92 Cb 0.38 -2.30 -0.05 0.00 0.00 0.00 0.00 35.03 33.07 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 -0.02 -1.09 3.14 3.32 -1.87 -3.32 116.42 116.58 2cup h ASP 93 Ca 0.81 -0.37 0.30 0.00 0.02 0.00 0.00 57.03 57.79 2cup h ASP 93 Cb 2.52 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 41.99 2cup h ASP 93 CO -0.49 0.66 0.73 0.00 -1.72 0.00 0.00 179.24 178.41 2cup s PHE 95 N -5.32 3.37 -0.94 0.00 5.36 0.65 -4.90 117.98 116.20 2cup s PHE 95 Ca -0.08 1.32 -0.03 0.00 -0.96 0.00 0.00 56.93 57.18 2cup s PHE 95 Cb 0.25 -3.12 0.24 0.00 -0.34 0.00 0.00 43.02 40.04 2cup s PHE 95 CO 0.80 -0.37 0.90 -1.13 -1.46 0.00 0.00 175.22 173.96 2cup n SER 96 N 5.80 4.58 -4.77 6.13 3.41 -1.26 -4.88 113.62 122.64 2cup n SER 96 Ca 0.08 -3.15 -0.35 0.00 -0.26 0.00 0.00 58.87 55.18 2cup n SER 96 Cb 0.47 -1.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.34 2cup n SER 96 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cup s GLY 97 N -0.13 2.58 0.00 5.00 0.00 -1.26 -4.89 107.32 108.61 2cup s GLY 97 Ca 0.29 0.83 0.12 0.00 0.00 0.00 0.00 44.72 45.96 2cup s GLY 97 CO -0.10 1.20 1.12 -1.55 0.00 0.00 0.00 173.10 173.78 2cup n PRO 98 N -1.60 0.49 0.03 2.90 -0.04 -1.26 -3.71 135.00 131.80 2cup n PRO 98 Ca 0.12 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.79 2cup n PRO 98 Cb 0.51 -1.37 0.58 0.00 -0.04 0.00 0.00 33.50 33.17 2cup n PRO 98 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cup h SER 99 N 0.00 0.00 -4.88 3.54 4.64 -2.02 -3.41 113.55 111.42 2cup h SER 99 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 2cup h SER 99 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2cup h SER 99 CO 0.00 0.00 0.45 -0.44 -0.87 0.00 0.00 176.83 175.97 2cup s SER 100 N -4.30 -0.33 0.00 4.97 0.01 -1.24 -5.31 113.70 107.49 2cup s SER 100 Ca -0.03 -0.13 0.12 0.00 1.31 0.00 0.00 55.95 57.22 2cup s SER 100 Cb 0.13 0.45 0.09 0.00 0.21 0.00 0.00 66.02 66.90 2cup s SER 100 CO 0.44 -0.76 0.87 0.61 0.41 0.00 0.00 173.24 174.81