#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 4.44 -0.21 1.61 1.04 -1.26 -4.98 113.70 114.35 2cup s SER 2 Ca 0.00 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.02 2cup s SER 2 Cb 0.00 -1.76 -0.10 0.00 0.10 0.00 0.00 66.02 64.26 2cup s SER 2 CO 0.00 0.02 -0.25 -0.24 0.98 0.00 0.00 173.24 173.75 2cup n SER 3 N 4.52 1.70 -4.52 7.02 2.88 -1.26 -4.92 113.62 119.04 2cup n SER 3 Ca -0.18 0.18 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 2cup n SER 3 Cb 0.51 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 63.32 2cup n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cup s GLY 4 N -5.51 1.92 -0.00 0.46 0.00 -1.26 -4.96 107.32 97.97 2cup s GLY 4 Ca -0.29 -1.33 -0.25 0.00 0.00 0.00 0.00 44.72 42.85 2cup s GLY 4 CO 0.39 1.00 1.32 1.76 0.00 0.00 0.00 173.10 177.57 2cup h SER 5 N 8.53 0.06 -2.40 1.64 0.02 -1.96 -3.41 113.55 116.04 2cup h SER 5 Ca -0.29 -0.45 -0.53 0.00 -0.84 0.00 0.00 61.79 59.68 2cup h SER 5 Cb 1.14 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 2cup h SER 5 CO 0.71 0.49 1.27 -0.44 -1.14 0.00 0.00 176.83 177.73 2cup s SER 6 N -5.72 5.66 0.00 3.07 0.01 -1.26 -4.94 113.70 110.52 2cup s SER 6 Ca -0.15 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2cup s SER 6 Cb 0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2cup s SER 6 CO 0.69 -2.02 0.00 0.61 0.41 0.00 0.00 173.24 172.93 2cup n GLY 7 N 5.51 5.00 3.55 3.44 0.00 -1.26 -2.07 105.19 119.37 2cup n GLY 7 Ca 0.19 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 1.39 0.00 -0.08 0.00 0.24 -1.01 -2.37 118.33 116.51 2cup n VAL 9 Ca -0.15 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 61.95 2cup n VAL 9 Cb 0.52 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.58 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 0.91 0.00 -0.57 7.34 4.22 -1.95 -3.39 114.58 121.15 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 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2cup h GLU 10 CO 0.00 0.38 0.00 0.00 -2.18 0.00 0.00 179.01 177.21 2cup n ARG 12 N 1.03 -2.37 -4.18 0.00 3.00 -1.00 -4.91 116.66 108.23 2cup n ARG 12 Ca 0.21 0.33 -0.27 0.00 -0.01 0.00 0.00 57.85 58.12 2cup n ARG 12 Cb 0.66 -4.82 -0.07 0.00 0.00 0.00 0.00 32.46 28.22 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 -4.65 2.52 0.37 5.56 1.02 -1.23 -4.80 119.74 118.53 2cup s LYS 13 Ca 0.00 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.68 2cup s LYS 13 Cb 0.00 -2.43 -0.09 0.00 -0.52 0.00 0.00 37.83 34.79 2cup s LYS 13 CO 0.00 0.46 1.20 -1.25 -0.92 0.00 0.00 175.35 174.85 2cup s PRO 14 N -2.96 4.18 -0.00 -1.68 0.04 -1.26 0.11 135.00 133.42 2cup s PRO 14 Ca 0.28 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2cup s PRO 14 Cb -0.09 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2cup s PRO 14 CO 0.20 -0.24 0.05 0.42 0.04 0.00 0.00 177.00 177.47 2cup s ILE 15 N -1.31 4.51 0.57 0.56 1.01 -0.88 -4.80 121.20 120.87 2cup s ILE 15 Ca 0.54 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.72 2cup s ILE 15 Cb -0.33 -3.05 0.05 0.00 0.01 0.00 0.00 42.46 39.14 2cup s ILE 15 CO 0.43 0.35 0.79 -0.83 0.00 0.00 0.00 174.94 175.68 2cup s GLY 16 N -1.69 1.82 -0.08 6.18 0.00 -1.26 -4.82 107.32 107.48 2cup s GLY 16 Ca 0.22 -1.48 -0.27 0.00 0.00 0.00 0.00 44.72 43.19 2cup s GLY 16 CO 0.13 -1.15 1.00 0.00 0.00 0.00 0.00 173.10 173.08 2cup h ALA 17 N 0.04 0.01 -0.55 3.20 0.00 -2.00 -3.26 119.26 116.71 2cup h ALA 17 Ca -0.40 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.19 2cup h ALA 17 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2cup h ALA 17 CO 0.49 -0.05 0.37 -0.44 0.00 0.00 0.00 179.25 179.62 2cup h ASP 18 N -0.68 0.34 -2.93 0.00 5.19 -2.06 -3.40 116.42 112.87 2cup h ASP 18 Ca -0.01 0.01 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 2cup h ASP 18 Cb 0.84 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 2cup h ASP 18 CO 0.02 0.21 0.86 -0.94 -3.12 0.00 0.00 179.24 176.26 2cup s SER 19 N -6.32 6.94 -0.44 6.45 1.04 -1.23 -4.94 113.70 115.20 2cup s SER 19 Ca -0.07 1.80 -0.27 0.00 0.48 0.00 0.00 55.95 57.88 2cup s SER 19 Cb 0.19 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 2cup s SER 19 CO 0.74 -0.73 1.98 -0.54 0.98 0.00 0.00 173.24 175.68 2cup s LYS 20 N 3.12 2.85 0.48 4.02 -0.14 -1.26 -4.73 119.74 124.08 2cup s LYS 20 Ca 0.57 1.24 0.04 0.00 -1.36 0.00 0.00 55.97 56.46 2cup s LYS 20 Cb -0.24 -4.35 0.02 0.00 -1.68 0.00 0.00 37.83 31.58 2cup s LYS 20 CO 0.19 -2.43 0.67 -1.83 -0.76 0.00 0.00 175.35 171.19 2cup s GLU 21 N 6.67 2.74 -0.29 1.68 -1.05 -1.26 -3.16 118.70 124.03 2cup s GLU 21 Ca 0.82 -0.91 0.01 0.00 -0.15 0.00 0.00 54.97 54.74 2cup s GLU 21 Cb -0.20 -2.61 0.08 0.00 -0.44 0.00 0.00 34.13 30.97 2cup s GLU 21 CO 0.28 -0.46 0.02 0.08 0.95 0.00 0.00 175.26 176.13 2cup s VAL 22 N -2.56 1.56 -0.33 1.83 1.01 -0.80 -4.96 120.40 116.15 2cup s VAL 22 Ca 0.55 -1.59 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 2cup s VAL 22 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2cup s VAL 22 CO 0.36 -0.40 0.56 -2.28 0.00 0.00 0.00 175.10 173.33 2cup s HIS 23 N 1.32 3.19 -0.19 5.22 5.04 -1.26 -2.26 115.29 126.35 2cup s HIS 23 Ca 0.03 0.33 -0.09 0.00 -1.54 0.00 0.00 55.06 53.79 2cup s HIS 23 Cb -0.18 -2.95 0.07 0.00 0.04 0.00 0.00 32.58 29.55 2cup s HIS 23 CO -0.12 -0.52 0.44 -0.47 -2.34 0.00 0.00 174.74 171.73 2cup s TYR 24 N 2.48 -0.68 -1.23 3.88 5.04 -1.12 -4.91 117.35 120.81 2cup s TYR 24 Ca 0.21 1.41 -0.05 0.00 -2.44 0.00 0.00 57.07 56.21 2cup s TYR 24 Cb -0.15 0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.47 2cup s TYR 24 CO 0.13 -0.39 1.05 1.63 -1.34 0.00 0.00 175.55 176.64 2cup n LYS 25 N 4.48 -7.05 -2.89 4.97 4.76 -1.26 -1.99 118.16 119.18 2cup n LYS 25 Ca -0.20 0.80 -0.22 0.00 -2.87 0.00 0.00 58.31 55.82 2cup n LYS 25 Cb 0.54 -5.73 0.02 0.00 -1.84 0.00 0.00 35.03 28.03 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 -2.92 -6.02 -3.81 4.39 4.13 -1.26 -4.98 115.26 104.79 2cup n ASN 26 Ca -0.12 -0.23 -0.24 0.00 1.68 0.00 0.00 54.58 55.67 2cup n ASN 26 Cb 0.61 -4.90 -0.06 0.00 -1.54 0.00 0.00 39.78 33.88 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 -3.80 0.66 -3.64 3.52 5.12 -0.84 -5.16 116.66 112.52 2cup n ARG 27 Ca -0.14 -3.20 -0.02 0.00 -1.93 0.00 0.00 57.85 52.56 2cup n ARG 27 Cb 0.63 1.57 -0.05 0.00 -1.16 0.00 0.00 32.46 33.45 2cup n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2cup s PHE 28 N -2.90 -1.27 0.05 -1.55 0.40 -1.25 -2.78 117.98 108.68 2cup s PHE 28 Ca 0.15 2.25 0.09 0.00 -0.60 0.00 0.00 56.93 58.82 2cup s PHE 28 Cb 0.01 0.76 -0.03 0.00 0.51 0.00 0.00 43.02 44.27 2cup s PHE 28 CO 0.11 -0.63 -0.25 -1.58 0.70 0.00 0.00 175.22 173.57 2cup s TRP 29 N 2.64 2.24 0.88 0.36 0.51 -0.96 -2.40 118.94 122.22 2cup s TRP 29 Ca -0.07 -0.41 -0.10 0.00 -2.12 0.00 0.00 56.10 53.40 2cup s TRP 29 Cb -0.10 -1.34 0.12 0.00 -0.81 0.00 0.00 33.47 31.34 2cup s TRP 29 CO -0.19 0.12 1.12 -1.01 -0.51 0.00 0.00 176.95 176.48 2cup s HIS 30 N -0.80 1.97 -1.24 -1.98 3.76 -1.26 -1.90 115.29 113.83 2cup s HIS 30 Ca 0.11 1.65 0.03 0.00 -0.15 0.00 0.00 55.06 56.70 2cup s HIS 30 Cb -0.10 -3.22 0.16 0.00 1.11 0.00 0.00 32.58 30.54 2cup s HIS 30 CO 0.02 -2.50 1.01 -0.40 -0.85 0.00 0.00 174.74 172.01 2cup n ASP 31 N -4.01 0.00 -0.00 1.40 5.68 -1.19 -1.34 116.55 117.09 2cup n ASP 31 Ca 0.10 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 2cup n ASP 31 Cb 0.53 -0.38 -0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2cup n ASP 31 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2cup n THR 32 N -1.38 0.00 0.05 2.12 5.66 -1.26 -4.70 114.28 114.77 2cup n THR 32 Ca 0.01 -0.21 -0.20 0.00 -3.05 0.00 0.00 64.05 60.60 2cup n THR 32 Cb 0.03 0.70 -0.14 0.00 -1.55 0.00 0.00 70.33 69.37 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cup s PHE 34 N -2.59 1.62 0.32 0.00 5.36 -0.48 -4.87 117.98 117.35 2cup s PHE 34 Ca -0.14 0.80 -0.18 0.00 -0.96 0.00 0.00 56.93 56.45 2cup s PHE 34 Cb 0.06 -4.03 0.03 0.00 -0.34 0.00 0.00 43.02 38.75 2cup s PHE 34 CO 0.83 -2.76 0.73 -0.98 -1.46 0.00 0.00 175.22 171.59 2cup s ARG 35 N 6.52 1.97 1.05 10.12 1.70 -1.26 -3.76 118.95 135.29 2cup s ARG 35 Ca 0.79 -1.21 -0.13 0.00 -0.47 0.00 0.00 55.73 54.72 2cup s ARG 35 Cb -0.19 0.61 0.22 0.00 -0.57 0.00 0.00 34.95 35.01 2cup s ARG 35 CO 0.28 -0.91 1.08 0.00 -1.08 0.00 0.00 175.30 174.67 2cup n ALA 37 N -4.38 3.55 -0.08 0.00 0.00 -0.99 -3.51 120.51 115.10 2cup n ALA 37 Ca 0.04 -0.36 -0.17 0.00 0.00 0.00 0.00 53.44 52.95 2cup n ALA 37 Cb 0.57 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.19 0.34 -0.04 0.00 4.81 -1.26 -4.68 118.16 116.14 2cup n LYS 38 Ca 0.03 0.15 0.09 0.00 -0.87 0.00 0.00 58.31 57.71 2cup n LYS 38 Cb 0.20 -1.08 0.10 0.00 0.02 0.00 0.00 35.03 34.27 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 1.06 -1.94 -4.70 0.00 4.32 -1.23 -4.90 117.00 109.61 2cup n LEU 40 Ca 0.12 -1.02 -0.35 0.00 -0.02 0.00 0.00 56.01 54.73 2cup n LEU 40 Cb 0.47 -2.13 -0.09 0.00 -1.62 0.00 0.00 43.42 40.06 2cup n LEU 40 CO 0.12 0.38 -0.22 -2.28 -1.22 0.00 0.00 177.39 174.17 2cup s HIS 41 N -3.73 3.35 -0.05 -1.77 2.46 -1.26 -4.56 115.29 109.73 2cup s HIS 41 Ca 0.30 0.23 -0.30 0.00 0.47 0.00 0.00 55.06 55.76 2cup s HIS 41 Cb -0.16 -2.08 -0.05 0.00 -0.13 0.00 0.00 32.58 30.17 2cup s HIS 41 CO 0.91 0.30 1.49 -1.25 -2.47 0.00 0.00 174.74 173.72 2cup s PRO 42 N 0.12 4.22 -0.13 2.88 0.04 -1.26 0.02 135.00 140.90 2cup s PRO 42 Ca 0.07 2.02 0.17 0.00 0.04 0.00 0.00 61.00 63.29 2cup s PRO 42 Cb -0.12 -3.79 0.69 0.00 0.04 0.00 0.00 34.50 31.32 2cup s PRO 42 CO -0.00 -0.73 1.61 1.28 0.04 0.00 0.00 177.00 179.20 2cup n LEU 43 N 6.40 4.72 -0.36 -3.56 7.99 -1.25 -4.60 117.00 126.34 2cup n LEU 43 Ca 0.15 -2.56 -0.04 0.00 -0.01 0.00 0.00 56.01 53.56 2cup n LEU 43 Cb 0.43 -0.57 -0.00 0.00 -0.11 0.00 0.00 43.42 43.17 2cup n LEU 43 CO 0.60 0.77 0.50 0.00 -1.51 0.00 0.00 177.39 177.74 2cup n ALA 44 N 0.83 -0.26 0.60 -1.18 0.00 -1.26 -0.94 120.51 118.30 2cup n ALA 44 Ca 0.25 0.86 0.07 0.00 0.00 0.00 0.00 53.44 54.62 2cup n ALA 44 Cb 0.91 -0.32 0.05 0.00 0.00 0.00 0.00 19.45 20.10 2cup n ALA 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2cup n ASN 45 N -5.27 2.10 -4.99 0.00 0.23 -1.26 -5.00 115.26 101.07 2cup n ASN 45 Ca 0.07 -1.55 -0.18 0.00 -0.53 0.00 0.00 54.58 52.39 2cup n ASN 45 Cb 0.32 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.09 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 -1.27 2.96 0.27 -3.83 2.12 -0.12 -5.09 118.70 113.73 2cup s GLU 46 Ca 0.16 -1.14 -0.29 0.00 0.36 0.00 0.00 54.97 54.06 2cup s GLU 46 Cb 0.12 -2.77 -0.09 0.00 0.26 0.00 0.00 34.13 31.64 2cup s GLU 46 CO 0.20 -0.10 0.95 0.95 -0.54 0.00 0.00 175.26 176.72 2cup s THR 47 N -2.27 4.09 0.28 -1.70 -4.23 -1.26 -4.75 115.64 105.80 2cup s THR 47 Ca 0.50 1.99 0.02 0.00 -1.18 0.00 0.00 61.69 63.02 2cup s THR 47 Cb -0.09 -4.22 -0.05 0.00 1.34 0.00 0.00 72.50 69.47 2cup s THR 47 CO 0.32 0.39 0.09 0.72 -0.54 0.00 0.00 174.62 175.59 2cup s PHE 48 N -1.31 1.69 -0.04 3.99 -0.71 -1.26 -3.93 117.98 116.40 2cup s PHE 48 Ca 0.44 -1.11 -0.01 0.00 -1.04 0.00 0.00 56.93 55.20 2cup s PHE 48 Cb -0.24 -1.03 0.03 0.00 -1.21 0.00 0.00 43.02 40.57 2cup s PHE 48 CO 0.30 -0.22 0.08 0.08 -1.34 0.00 0.00 175.22 174.12 2cup s VAL 49 N -3.59 -0.07 -0.43 -2.49 1.01 0.60 -4.85 120.40 110.58 2cup s VAL 49 Ca 0.37 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 2cup s VAL 49 Cb 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.33 2cup s VAL 49 CO 0.14 0.09 0.38 0.00 0.00 0.00 0.00 175.10 175.72 2cup s ALA 50 N 1.22 3.46 0.04 5.51 0.00 -1.26 -1.90 121.76 128.84 2cup s ALA 50 Ca -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2cup s ALA 50 Cb -0.12 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 2cup s ALA 50 CO -0.04 -1.57 -0.04 -1.59 0.00 0.00 0.00 175.76 172.52 2cup s LYS 51 N 1.90 0.49 -1.68 0.00 -2.85 -0.85 -4.85 119.74 111.91 2cup s LYS 51 Ca 0.08 -0.90 -0.19 0.00 -1.00 0.00 0.00 55.97 53.97 2cup s LYS 51 Cb -0.19 0.05 0.17 0.00 -2.06 0.00 0.00 37.83 35.80 2cup s LYS 51 CO 0.11 -0.05 0.71 -0.25 0.10 0.00 0.00 175.35 175.97 2cup n ASP 52 N 0.95 -2.98 -3.90 0.03 9.92 -1.26 0.32 116.55 119.64 2cup n ASP 52 Ca -0.20 -0.98 -0.28 0.00 -0.53 0.00 0.00 54.79 52.80 2cup n ASP 52 Cb 0.57 -2.47 0.02 0.00 -0.64 0.00 0.00 41.12 38.61 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2cup n ASN 53 N -2.55 -3.46 -3.81 -2.24 3.02 -1.26 -4.97 115.26 100.00 2cup n ASN 53 Ca 0.08 -0.83 -0.12 0.00 -0.03 0.00 0.00 54.58 53.68 2cup n ASN 53 Cb 0.48 -3.76 -0.09 0.00 -0.61 0.00 0.00 39.78 35.81 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 -6.50 0.62 -0.22 3.52 1.02 0.15 -5.14 119.74 113.19 2cup s LYS 54 Ca 0.46 -0.34 -0.17 0.00 0.02 0.00 0.00 55.97 55.95 2cup s LYS 54 Cb -0.23 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.31 2cup s LYS 54 CO 0.84 -0.17 0.45 0.42 -0.92 0.00 0.00 175.35 175.97 2cup s ILE 55 N -1.58 5.15 0.09 2.17 -1.09 -1.26 -2.00 121.20 122.68 2cup s ILE 55 Ca -0.12 0.80 0.01 0.00 -2.23 0.00 0.00 60.65 59.10 2cup s ILE 55 Cb -0.05 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2cup s ILE 55 CO 0.02 0.19 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.13 2cup s LEU 56 N 1.65 2.39 0.07 2.97 1.43 -0.80 -2.35 118.68 124.05 2cup s LEU 56 Ca 0.20 -1.04 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2cup s LEU 56 Cb -0.15 0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 2cup s LEU 56 CO 0.09 -0.55 0.17 0.00 0.23 0.00 0.00 176.35 176.29 2cup h ASN 58 N 3.10 -0.81 -0.61 0.00 4.21 -1.89 0.60 115.58 120.18 2cup h ASN 58 Ca -0.46 0.25 0.10 0.00 1.21 0.00 0.00 56.30 57.40 2cup h ASN 58 Cb 1.16 0.52 -0.11 0.00 -1.12 0.00 0.00 38.32 38.78 2cup h ASN 58 CO 0.72 -0.28 -0.40 0.11 -1.29 0.00 0.00 177.43 176.30 2cup h LYS 59 N -0.01 -0.18 0.66 0.81 6.56 -1.91 0.24 116.57 122.73 2cup h LYS 59 Ca 0.39 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.96 2cup h LYS 59 Cb 0.60 0.04 0.01 0.00 -0.57 0.00 0.00 32.23 32.31 2cup h LYS 59 CO -0.85 -0.12 -0.32 0.00 -2.06 0.00 0.00 179.45 176.10 2cup n THR 61 N -5.41 -0.41 -3.05 0.00 -2.24 -0.15 -2.29 114.28 100.74 2cup n THR 61 Ca -0.13 2.20 -0.44 0.00 -2.27 0.00 0.00 64.05 63.42 2cup n THR 61 Cb 0.37 -3.09 0.00 0.00 -2.10 0.00 0.00 70.33 65.51 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 -5.55 4.42 -3.86 4.28 -2.24 0.02 -4.96 114.28 106.40 2cup n THR 62 Ca 0.17 -4.99 -0.12 0.00 -2.27 0.00 0.00 64.05 56.84 2cup n THR 62 Cb 0.55 -2.48 -0.14 0.00 -2.10 0.00 0.00 70.33 66.16 2cup n THR 62 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2cup s ARG 63 N 0.29 0.03 -0.00 -0.78 3.00 -0.97 -4.86 118.95 115.66 2cup s ARG 63 Ca 0.38 0.05 0.00 0.00 -1.00 0.00 0.00 55.73 55.16 2cup s ARG 63 Cb -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 34.95 34.91 2cup s ARG 63 CO -0.02 -0.01 -0.00 -0.85 0.00 0.00 0.00 175.30 174.42 2cup n GLU 64 N 3.11 1.23 -4.22 5.12 0.00 -1.26 -5.03 120.64 119.59 2cup n GLU 64 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.72 2cup n GLU 64 Cb 0.59 -1.00 -0.08 0.00 0.00 0.00 0.00 31.44 30.95 2cup n GLU 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2cup n ASP 65 N -2.35 0.41 -4.37 -1.84 2.03 -1.26 -4.87 116.55 104.31 2cup n ASP 65 Ca -0.00 -1.23 -0.45 0.00 0.52 0.00 0.00 54.79 53.63 2cup n ASP 65 Cb 0.50 -1.52 -0.06 0.00 -0.72 0.00 0.00 41.12 39.32 2cup n ASP 65 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2cup s SER 66 N -4.25 6.17 1.24 1.67 0.01 -1.26 -4.98 113.70 112.30 2cup s SER 66 Ca 0.05 -1.44 -0.21 0.00 1.31 0.00 0.00 55.95 55.66 2cup s SER 66 Cb -0.03 -2.21 0.30 0.00 0.21 0.00 0.00 66.02 64.29 2cup s SER 66 CO 0.95 -0.78 1.11 -2.16 0.41 0.00 0.00 173.24 172.78 2cup s PRO 67 N 1.81 -1.53 0.06 12.44 0.04 -1.26 -4.87 135.00 141.70 2cup s PRO 67 Ca 0.05 -0.18 0.05 0.00 0.04 0.00 0.00 61.00 60.97 2cup s PRO 67 Cb -0.26 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2cup s PRO 67 CO 0.06 -3.89 -0.14 -1.59 0.04 0.00 0.00 177.00 171.48 2cup s LYS 68 N -5.49 0.83 0.61 4.56 -2.85 -1.26 -2.28 119.74 113.85 2cup s LYS 68 Ca 0.72 -0.90 -0.04 0.00 -1.00 0.00 0.00 55.97 54.75 2cup s LYS 68 Cb -0.08 -0.83 0.03 0.00 -2.06 0.00 0.00 37.83 34.89 2cup s LYS 68 CO 0.56 0.19 0.89 0.00 0.10 0.00 0.00 175.35 177.08 2cup n LYS 70 N -2.59 2.35 0.05 0.00 0.00 -1.26 -3.53 118.16 113.18 2cup n LYS 70 Ca 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 58.31 58.27 2cup n LYS 70 Cb 0.59 -1.04 0.04 0.00 0.00 0.00 0.00 35.03 34.61 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 0.34 0.43 0.00 3.14 0.00 -1.92 -3.37 103.07 101.69 2cup h GLY 71 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2cup h GLY 71 CO 0.00 0.53 -0.79 0.00 0.00 0.00 0.00 176.54 176.29 2cup n PHE 73 N -1.24 -0.92 -4.32 0.00 -0.00 -1.23 -5.05 117.46 104.70 2cup n PHE 73 Ca 0.00 0.38 -0.19 0.00 -0.00 0.00 0.00 57.45 57.64 2cup n PHE 73 Cb 0.05 -3.26 -0.10 0.00 -0.00 0.00 0.00 39.48 36.17 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2cup s LYS 74 N -4.42 1.26 -0.07 -4.13 -0.14 -1.26 -4.84 119.74 106.14 2cup s LYS 74 Ca 0.03 -1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 52.85 2cup s LYS 74 Cb -0.00 -1.11 -0.06 0.00 -1.68 0.00 0.00 37.83 34.98 2cup s LYS 74 CO 0.30 0.20 1.79 0.00 -0.76 0.00 0.00 175.35 176.87 2cup s ALA 75 N -2.66 3.48 0.17 5.17 0.00 -1.26 -1.40 121.76 125.26 2cup s ALA 75 Ca 0.19 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 2cup s ALA 75 Cb -0.02 -3.82 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 2cup s ALA 75 CO 0.06 -1.65 0.54 0.42 0.00 0.00 0.00 175.76 175.13 2cup s ILE 76 N 4.70 4.89 -0.01 0.00 1.01 -0.96 -4.95 121.20 125.88 2cup s ILE 76 Ca 0.80 0.71 0.07 0.00 0.00 0.00 0.00 60.65 62.22 2cup s ILE 76 Cb -0.35 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2cup s ILE 76 CO 0.33 0.16 -0.23 -0.69 0.00 0.00 0.00 174.94 174.51 2cup s VAL 77 N -1.56 1.79 0.07 2.92 1.01 -1.26 -4.06 120.40 119.31 2cup s VAL 77 Ca 0.40 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2cup s VAL 77 Cb -0.14 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2cup s VAL 77 CO 0.20 0.46 1.27 0.00 0.00 0.00 0.00 175.10 177.02 2cup h ALA 78 N 5.44 -0.47 -0.81 5.51 0.00 -1.98 -0.78 119.26 126.16 2cup h ALA 78 Ca -0.41 0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.71 2cup h ALA 78 Cb 1.14 0.98 -0.13 0.00 0.00 0.00 0.00 17.79 19.78 2cup h ALA 78 CO 0.47 -0.62 0.18 0.78 0.00 0.00 0.00 179.25 180.05 2cup h GLY 79 N -0.15 1.14 -4.25 0.00 0.00 -2.04 -3.41 103.07 94.36 2cup h GLY 79 Ca 0.05 -0.01 -0.54 0.00 0.00 0.00 0.00 47.33 46.82 2cup h GLY 79 CO -0.34 -0.29 0.80 1.22 0.00 0.00 0.00 176.54 177.94 2cup n ASP 80 N -5.22 3.65 -4.68 0.19 8.00 -0.30 -4.89 116.55 113.29 2cup n ASP 80 Ca 0.17 1.17 -0.42 0.00 0.71 0.00 0.00 54.79 56.42 2cup n ASP 80 Cb 0.56 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 2cup n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cup s GLN 81 N -1.00 4.18 0.03 -1.24 -1.52 -1.26 -4.71 119.66 114.14 2cup s GLN 81 Ca 0.61 2.40 -0.07 0.00 -1.95 0.00 0.00 55.36 56.35 2cup s GLN 81 Cb -0.51 -3.67 -0.00 0.00 -0.22 0.00 0.00 33.01 28.60 2cup s GLN 81 CO 0.53 -0.79 0.14 -0.80 -0.25 0.00 0.00 175.29 174.13 2cup s ASN 82 N 2.71 0.10 -0.36 5.90 0.01 -1.26 -2.96 114.94 119.09 2cup s ASN 82 Ca 0.77 -0.42 -0.05 0.00 -0.71 0.00 0.00 52.86 52.45 2cup s ASN 82 Cb -0.41 0.25 0.07 0.00 0.41 0.00 0.00 41.25 41.56 2cup s ASN 82 CO 0.34 -0.51 0.12 -0.69 -1.51 0.00 0.00 177.10 174.85 2cup s VAL 83 N -2.41 3.49 -0.15 1.60 1.01 0.71 -4.72 120.40 119.92 2cup s VAL 83 Ca -0.06 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.23 2cup s VAL 83 Cb -0.02 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2cup s VAL 83 CO -0.03 -0.33 0.63 -0.70 0.00 0.00 0.00 175.10 174.67 2cup s GLU 84 N 1.30 4.29 -0.19 2.72 2.12 -1.26 0.15 118.70 127.82 2cup s GLU 84 Ca 0.00 0.67 -0.04 0.00 0.36 0.00 0.00 54.97 55.96 2cup s GLU 84 Cb -0.21 -3.53 0.10 0.00 0.26 0.00 0.00 34.13 30.75 2cup s GLU 84 CO -0.00 -0.11 0.29 -0.47 -0.54 0.00 0.00 175.26 174.43 2cup s TYR 85 N 1.47 -0.51 -1.17 5.30 5.04 0.72 -4.93 117.35 123.27 2cup s TYR 85 Ca 0.31 0.71 -0.04 0.00 -2.44 0.00 0.00 57.07 55.61 2cup s TYR 85 Cb -0.16 -0.11 -0.02 0.00 0.35 0.00 0.00 41.96 42.01 2cup s TYR 85 CO 0.12 -0.55 0.88 1.63 -1.34 0.00 0.00 175.55 176.30 2cup n LYS 86 N 5.35 -4.24 0.00 4.97 5.02 -1.26 -2.50 118.16 125.49 2cup n LYS 86 Ca -0.05 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2cup n LYS 86 Cb 0.50 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.32 1.22 3.69 0.72 0.00 -1.26 -4.91 105.19 103.33 2cup n GLY 87 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 4.86 -0.13 2.61 -4.23 -1.04 -5.04 115.64 112.67 2cup s THR 88 Ca 0.00 1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 62.35 2cup s THR 88 Cb 0.00 -4.23 -0.02 0.00 1.34 0.00 0.00 72.50 69.60 2cup s THR 88 CO 0.00 0.08 -0.12 0.68 -0.54 0.00 0.00 174.62 174.71 2cup s VAL 89 N 1.68 3.12 -0.15 2.29 -7.23 -1.26 -0.20 120.40 118.66 2cup s VAL 89 Ca 0.45 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.96 2cup s VAL 89 Cb -0.18 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2cup s VAL 89 CO 0.18 0.52 -0.08 0.26 -0.31 0.00 0.00 175.10 175.67 2cup s TRP 90 N 0.36 2.91 0.28 2.82 0.52 0.39 -4.14 118.94 122.08 2cup s TRP 90 Ca -0.10 -0.53 -0.25 0.00 0.02 0.00 0.00 56.10 55.24 2cup s TRP 90 Cb -0.16 -1.91 -0.16 0.00 -1.15 0.00 0.00 33.47 30.08 2cup s TRP 90 CO 0.05 -0.17 0.37 0.72 0.02 0.00 0.00 176.95 177.94 2cup n HIS 91 N 3.64 -1.07 -0.38 -1.98 8.25 -1.26 -0.21 115.22 122.21 2cup n HIS 91 Ca -0.18 0.83 0.33 0.00 -0.26 0.00 0.00 57.72 58.44 2cup n HIS 91 Cb 0.52 -1.90 0.56 0.00 1.12 0.00 0.00 29.99 30.30 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 1.11 -0.03 -0.06 -0.41 3.00 -1.16 -0.48 118.16 120.14 2cup n LYS 92 Ca 0.15 1.07 -0.03 0.00 -0.00 0.00 0.00 58.31 59.50 2cup n LYS 92 Cb 0.31 -2.08 -0.02 0.00 0.00 0.00 0.00 35.03 33.24 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 0.00 -0.98 3.14 5.19 -1.88 -3.36 116.42 118.53 2cup h ASP 93 Ca 0.74 -0.09 0.27 0.00 -0.62 0.00 0.00 57.03 57.33 2cup h ASP 93 Cb 2.32 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 41.65 2cup h ASP 93 CO -0.43 0.62 0.05 0.00 -3.12 0.00 0.00 179.24 176.36 2cup n PHE 95 N -5.47 0.81 -3.37 0.00 7.35 0.04 -4.92 117.46 111.90 2cup n PHE 95 Ca 0.23 0.39 -0.45 0.00 -0.76 0.00 0.00 57.45 56.86 2cup n PHE 95 Cb 0.76 -2.01 -0.02 0.00 0.35 0.00 0.00 39.48 38.55 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 -2.47 6.86 -0.47 -2.13 0.01 -1.26 -4.91 113.70 109.33 2cup s SER 96 Ca 0.68 -3.12 0.06 0.00 1.31 0.00 0.00 55.95 54.87 2cup s SER 96 Cb -0.24 -2.17 0.21 0.00 0.21 0.00 0.00 66.02 64.02 2cup s SER 96 CO 0.57 -0.42 0.48 0.61 0.41 0.00 0.00 173.24 174.88 2cup n GLY 97 N 3.34 2.96 3.72 3.44 0.00 -1.26 -5.11 105.19 112.27 2cup n GLY 97 Ca 0.18 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.91 4.34 -0.22 1.61 0.04 -1.26 -5.02 135.00 133.58 2cup s PRO 98 Ca 0.34 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 2cup s PRO 98 Cb 0.09 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 31.45 2cup s PRO 98 CO -0.14 -0.41 0.08 0.45 0.04 0.00 0.00 177.00 177.02 2cup s SER 99 N 1.07 3.05 0.33 6.66 0.15 -1.26 -5.12 113.70 118.57 2cup s SER 99 Ca 0.63 -0.98 -0.18 0.00 0.70 0.00 0.00 55.95 56.12 2cup s SER 99 Cb -0.36 -0.48 0.04 0.00 -1.71 0.00 0.00 66.02 63.51 2cup s SER 99 CO 0.30 -0.36 0.76 -0.55 1.20 0.00 0.00 173.24 174.60 2cup s SER 100 N 1.95 -0.12 0.00 5.45 0.15 -1.26 -5.36 113.70 114.51 2cup s SER 100 Ca 0.04 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2cup s SER 100 Cb -0.17 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2cup s SER 100 CO -0.17 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.37