#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n GLY 7 N 0.00 0.56 3.48 -0.02 0.00 -1.26 -5.09 105.19 102.86 3df2 n GLY 7 Ca 0.00 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 3df2 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3df2 s SER 8 N -0.71 6.23 0.00 1.61 0.01 -1.26 -4.95 113.70 114.63 3df2 s SER 8 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 3df2 s SER 8 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3df2 s SER 8 CO 0.00 -0.70 0.00 1.07 0.41 0.00 0.00 173.24 174.02 3df2 n THR 9 N 5.58 0.00 -0.51 1.44 5.66 -1.26 -5.18 114.28 120.01 3df2 n THR 9 Ca -0.06 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.01 3df2 n THR 9 Cb 0.47 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.22 3df2 n THR 9 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3df2 n ARG 10 N 0.00 -1.17 0.00 1.09 3.00 -1.26 -5.10 116.66 113.22 3df2 n ARG 10 Ca 0.00 0.95 0.00 0.00 -0.01 0.00 0.00 57.85 58.79 3df2 n ARG 10 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 32.46 31.09 3df2 n ARG 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3df2 n ASN 11 N -2.88 0.00 0.00 0.55 2.85 -1.26 -5.14 115.26 109.38 3df2 n ASN 11 Ca -0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 3df2 n ASN 11 Cb 0.24 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.26 3df2 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3df2 n GLY 12 N -0.16 -1.50 0.00 8.20 0.00 -1.26 -5.09 105.19 105.37 3df2 n GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df2 n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df2 n ARG 13 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.10 116.66 114.92 3df2 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3df2 n ARG 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3df2 n ARG 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3df2 n ASP 14 N 0.00 0.00 -3.69 6.15 8.00 -1.26 -4.88 116.55 120.87 3df2 n ASP 14 Ca 0.00 0.14 -0.24 0.00 0.71 0.00 0.00 54.79 55.41 3df2 n ASP 14 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 3df2 n ASP 14 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3df2 n SER 15 N -0.15 -3.32 -0.05 -2.24 7.64 -1.26 -4.85 113.62 109.38 3df2 n SER 15 Ca 0.00 -0.72 -0.01 0.00 1.01 0.00 0.00 58.87 59.15 3df2 n SER 15 Cb 0.00 -4.38 -0.01 0.00 -1.01 0.00 0.00 64.21 58.81 3df2 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3df2 n GLU 16 N -4.50 -0.06 -3.23 1.43 -0.58 -1.26 -4.86 120.64 107.58 3df2 n GLU 16 Ca -0.14 0.49 -0.13 0.00 -0.42 0.00 0.00 57.16 56.95 3df2 n GLU 16 Cb 0.61 -0.73 0.01 0.00 -0.57 0.00 0.00 31.44 30.76 3df2 n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3df2 n ALA 17 N -2.79 -2.29 -3.00 0.62 0.00 -1.26 -4.87 120.51 106.91 3df2 n ALA 17 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3df2 n ALA 17 Cb 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3df2 n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3df2 n LYS 18 N 0.67 0.00 -2.53 0.00 3.00 -1.26 -3.69 118.16 114.35 3df2 n LYS 18 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.88 3df2 n LYS 18 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.51 3df2 n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3df2 s ARG 19 N -1.20 3.41 -0.46 1.64 3.00 -1.26 -0.64 118.95 123.43 3df2 s ARG 19 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 55.73 54.94 3df2 s ARG 19 Cb 0.00 -4.95 0.21 0.00 0.00 0.00 0.00 34.95 30.21 3df2 s ARG 19 CO 0.00 -2.24 2.28 1.28 0.00 0.00 0.00 175.30 176.63 3df2 n LEU 20 N 9.29 6.74 0.00 2.53 4.77 -1.23 -3.80 117.00 135.30 3df2 n LEU 20 Ca 0.23 -3.83 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 3df2 n LEU 20 Cb 0.50 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 3df2 n LEU 20 CO 0.68 1.48 0.00 0.61 -1.33 0.00 0.00 177.39 178.82 3df2 n GLY 21 N 0.27 0.00 2.30 -0.72 0.00 -1.25 -3.79 105.19 102.00 3df2 n GLY 21 Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 3df2 n GLY 21 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df2 n VAL 22 N 0.00 0.43 -0.98 1.61 0.24 -1.25 -4.53 118.33 113.85 3df2 n VAL 22 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3df2 n VAL 22 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3df2 n VAL 22 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3df2 n LYS 23 N 0.89 0.00 -1.50 7.34 -0.00 -1.26 -4.50 118.16 119.12 3df2 n LYS 23 Ca 0.13 0.00 -0.49 0.00 -0.00 0.00 0.00 58.31 57.94 3df2 n LYS 23 Cb 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.08 3df2 n LYS 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3df2 n ARG 24 N -0.08 0.59 -4.05 -1.58 3.00 -1.04 -4.43 116.66 109.07 3df2 n ARG 24 Ca 0.00 0.21 -0.11 0.00 -0.00 0.00 0.00 57.85 57.95 3df2 n ARG 24 Cb 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 30.90 3df2 n ARG 24 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 3df2 s PHE 25 N -0.60 0.65 0.55 -0.14 2.19 -1.26 -4.75 117.98 114.62 3df2 s PHE 25 Ca 0.70 -0.96 0.42 0.00 0.33 0.00 0.00 56.93 57.43 3df2 s PHE 25 Cb -0.92 0.01 1.62 0.00 -1.31 0.00 0.00 43.02 42.42 3df2 s PHE 25 CO 0.56 -0.97 1.69 0.78 1.83 0.00 0.00 175.22 179.11 3df2 h GLY 26 N 2.28 0.00 -6.48 13.12 0.00 -1.92 -3.40 103.07 106.67 3df2 h GLY 26 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.62 3df2 h GLY 26 CO 0.39 0.00 -0.89 0.61 0.00 0.00 0.00 176.54 176.66 3df2 n GLY 27 N -1.83 -1.16 3.62 4.60 0.00 -1.26 -4.33 105.19 104.82 3df2 n GLY 27 Ca 0.33 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 3df2 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df2 s GLU 28 N -5.32 -0.80 0.64 1.61 2.56 -1.26 -1.33 118.70 114.80 3df2 s GLU 28 Ca 0.19 0.08 0.17 0.00 0.00 0.00 0.00 54.97 55.41 3df2 s GLU 28 Cb -0.08 -1.63 0.81 0.00 2.00 0.00 0.00 34.13 35.22 3df2 s GLU 28 CO 0.88 -3.46 1.42 0.77 -0.56 0.00 0.00 175.26 174.31 3df2 h SER 29 N -2.40 0.00 -0.13 -1.70 0.02 -1.86 -3.31 113.55 104.17 3df2 h SER 29 Ca -0.48 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3df2 h SER 29 Cb 1.30 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.70 3df2 h SER 29 CO 0.41 0.00 -0.10 0.55 -1.14 0.00 0.00 176.83 176.55 3df2 n VAL 30 N -2.91 0.00 -0.27 2.27 3.14 -1.05 -3.48 118.33 116.02 3df2 n VAL 30 Ca 0.05 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3df2 n VAL 30 Cb 0.91 0.65 0.00 0.00 -1.06 0.00 0.00 33.84 34.33 3df2 n VAL 30 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3df2 n LEU 31 N 2.41 0.00 -0.06 6.55 4.77 -1.23 -4.87 117.00 124.58 3df2 n LEU 31 Ca 0.10 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3df2 n LEU 31 Cb 0.66 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 3df2 n LEU 31 CO -0.12 0.00 -0.79 0.00 -1.33 0.00 0.00 177.39 175.15 3df2 n ALA 32 N -3.00 1.95 0.00 -1.18 0.00 -1.26 -4.24 120.51 112.77 3df2 n ALA 32 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3df2 n ALA 32 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3df2 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 33 N 2.16 0.84 0.00 0.00 0.00 -1.25 -4.41 105.19 102.54 3df2 n GLY 33 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3df2 n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3df2 n SER 34 N 0.50 0.00 -0.08 1.61 2.88 -1.26 -3.56 113.62 113.71 3df2 n SER 34 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3df2 n SER 34 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 3df2 n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df2 n ILE 35 N 0.00 1.07 0.00 2.46 3.06 0.18 0.17 119.36 126.30 3df2 n ILE 35 Ca 0.00 -0.58 0.00 0.00 -2.50 0.00 0.00 62.75 59.67 3df2 n ILE 35 Cb 0.00 -0.78 0.00 0.00 0.54 0.00 0.00 39.64 39.40 3df2 n ILE 35 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3df2 n ILE 36 N -2.72 0.00 -0.22 9.51 5.41 -1.24 -3.20 119.36 126.89 3df2 n ILE 36 Ca -0.28 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.17 3df2 n ILE 36 Cb 0.96 0.00 0.29 0.00 -0.71 0.00 0.00 39.64 40.18 3df2 n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3df2 n VAL 37 N 0.00 0.00 -2.57 1.39 0.31 -1.26 -3.45 118.33 112.75 3df2 n VAL 37 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3df2 n VAL 37 Cb 0.00 -0.98 -0.00 0.00 -0.91 0.00 0.00 33.84 31.94 3df2 n VAL 37 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3df2 n ARG 38 N -5.79 -2.56 -4.44 5.55 0.00 -1.26 -4.91 116.66 103.25 3df2 n ARG 38 Ca 0.14 0.39 -0.21 0.00 -0.00 0.00 0.00 57.85 58.16 3df2 n ARG 38 Cb 0.60 -4.96 -0.10 0.00 -0.00 0.00 0.00 32.46 27.99 3df2 n ARG 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3df2 s GLN 39 N -5.14 1.64 0.00 2.89 -0.44 -1.22 -4.99 119.66 112.39 3df2 s GLN 39 Ca 0.05 -1.91 0.00 0.00 -2.50 0.00 0.00 55.36 51.00 3df2 s GLN 39 Cb -0.03 -0.78 0.00 0.00 -1.64 0.00 0.00 33.01 30.57 3df2 s GLN 39 CO 0.06 -0.22 0.00 -2.13 0.50 0.00 0.00 175.29 173.50 3df2 n ARG 40 N -0.67 0.00 0.03 1.67 0.00 -1.26 -4.78 116.66 111.65 3df2 n ARG 40 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.81 3df2 n ARG 40 Cb 0.66 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 33.04 3df2 n ARG 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 3df2 h GLY 41 N 0.00 0.00 2.00 5.14 0.00 -1.99 -2.06 103.07 106.17 3df2 h GLY 41 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3df2 h GLY 41 CO 0.00 0.00 -0.33 -0.84 0.00 0.00 0.00 176.54 175.37 3df2 h THR 42 N 0.00 1.13 -1.17 4.70 2.02 -1.95 -3.34 112.91 114.31 3df2 h THR 42 Ca -0.17 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 65.77 3df2 h THR 42 Cb 1.67 1.65 -0.22 0.00 -1.74 0.00 0.00 68.15 69.51 3df2 h THR 42 CO 0.06 0.32 -0.46 -0.54 0.37 0.00 0.00 175.52 175.27 3df2 s LYS 43 N -4.16 0.67 -0.05 6.66 -0.14 -1.23 -4.83 119.74 116.65 3df2 s LYS 43 Ca -0.03 0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.29 3df2 s LYS 43 Cb 0.14 0.03 -0.03 0.00 -1.68 0.00 0.00 37.83 36.29 3df2 s LYS 43 CO 0.70 -1.12 1.19 -0.06 -0.76 0.00 0.00 175.35 175.30 3df2 s PHE 44 N 2.23 3.21 0.31 3.18 0.08 -0.77 -4.36 117.98 121.85 3df2 s PHE 44 Ca 0.13 1.24 -0.30 0.00 0.12 0.00 0.00 56.93 58.12 3df2 s PHE 44 Cb -0.08 -3.41 -0.12 0.00 -0.57 0.00 0.00 43.02 38.84 3df2 s PHE 44 CO -0.16 -1.26 1.53 -2.39 -0.10 0.00 0.00 175.22 172.84 3df2 n HIS 45 N 5.15 2.78 -3.03 0.36 1.44 -1.26 -0.19 115.22 120.46 3df2 n HIS 45 Ca 0.11 0.34 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 3df2 n HIS 45 Cb 0.46 -2.56 0.00 0.00 0.12 0.00 0.00 29.99 28.02 3df2 n HIS 45 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3df2 n ALA 46 N 1.61 0.00 -0.30 1.59 0.00 -1.08 -4.74 120.51 117.60 3df2 n ALA 46 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3df2 n ALA 46 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3df2 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 47 N 0.00 -1.70 0.10 0.00 0.00 -1.11 -3.49 105.19 98.99 3df2 n GLY 47 Ca 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 46.02 44.78 3df2 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 n ALA 48 N 0.12 0.87 -3.48 4.61 0.00 -1.25 -4.57 120.51 116.81 3df2 n ALA 48 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3df2 n ALA 48 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3df2 n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3df2 n ASN 49 N -1.87 1.97 0.00 0.00 6.94 -1.23 -4.63 115.26 116.44 3df2 n ASN 49 Ca -0.01 -0.50 0.00 0.00 -0.02 0.00 0.00 54.58 54.06 3df2 n ASN 49 Cb 0.11 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 3df2 n ASN 49 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3df2 n VAL 50 N -0.01 0.00 0.00 3.53 0.24 -1.25 -4.12 118.33 116.72 3df2 n VAL 50 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3df2 n VAL 50 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3df2 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3df2 n GLY 51 N -0.85 0.88 3.86 7.63 0.00 -1.26 -2.09 105.19 113.36 3df2 n GLY 51 Ca 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 3df2 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 n GLY 53 N -1.36 -2.52 0.41 0.00 0.00 -1.23 -4.41 105.19 96.08 3df2 n GLY 53 Ca 0.04 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 3df2 n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3df2 h ARG 54 N 0.00 -0.14 -0.93 1.61 3.08 -1.92 1.19 114.38 117.26 3df2 h ARG 54 Ca -0.16 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3df2 h ARG 54 Cb 0.54 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3df2 h ARG 54 CO 0.10 -0.10 0.00 -0.40 -1.07 0.00 0.00 179.97 178.50 3df2 n ASP 55 N -5.37 1.15 0.00 7.04 5.75 -1.26 -4.82 116.55 119.04 3df2 n ASP 55 Ca 0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 3df2 n ASP 55 Cb 0.33 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3df2 n ASP 55 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3df2 n HIS 56 N 0.11 0.00 -1.11 2.11 8.25 0.41 -4.02 115.22 120.98 3df2 n HIS 56 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 3df2 n HIS 56 Cb 0.26 -0.42 -0.11 0.00 1.12 0.00 0.00 29.99 30.84 3df2 n HIS 56 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3df2 n THR 57 N -1.04 0.00 -1.71 1.59 -1.04 -1.19 -4.10 114.28 106.78 3df2 n THR 57 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3df2 n THR 57 Cb 0.00 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.07 3df2 n THR 57 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3df2 n LEU 58 N 6.99 3.79 0.00 -4.42 7.99 0.13 -3.50 117.00 127.98 3df2 n LEU 58 Ca 0.49 1.15 0.00 0.00 -0.01 0.00 0.00 56.01 57.64 3df2 n LEU 58 Cb -0.02 -1.52 0.00 0.00 -0.11 0.00 0.00 43.42 41.78 3df2 n LEU 58 CO 0.75 -0.17 0.00 0.33 -1.51 0.00 0.00 177.39 176.80 3df2 n PHE 59 N 1.82 -0.23 0.00 -1.77 7.35 -0.89 -4.26 117.46 119.48 3df2 n PHE 59 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 3df2 n PHE 59 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 3df2 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3df2 n ALA 60 N -3.00 0.00 -0.49 3.13 0.00 -1.26 -4.41 120.51 114.48 3df2 n ALA 60 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3df2 n ALA 60 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 3df2 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3df2 n LYS 61 N 0.00 -1.95 0.00 0.00 5.02 -1.26 -2.54 118.16 117.43 3df2 n LYS 61 Ca 0.00 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 3df2 n LYS 61 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3df2 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df2 n ALA 62 N -4.43 -0.46 -1.38 7.82 0.00 -1.23 -4.62 120.51 116.21 3df2 n ALA 62 Ca -0.11 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.89 3df2 n ALA 62 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 3df2 n ALA 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df2 n ASP 63 N 0.17 -1.65 0.00 0.00 8.00 -1.26 -4.85 116.55 116.96 3df2 n ASP 63 Ca 0.00 0.99 0.00 0.00 0.71 0.00 0.00 54.79 56.49 3df2 n ASP 63 Cb 0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 3df2 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3df2 n GLY 64 N 2.05 3.79 3.40 0.44 0.00 -0.44 -4.56 105.19 109.87 3df2 n GLY 64 Ca 0.14 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 3df2 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df2 n LYS 65 N -1.40 -1.28 -4.33 1.61 5.02 -1.08 -4.15 118.16 112.55 3df2 n LYS 65 Ca 0.00 -0.34 -0.32 0.00 -2.02 0.00 0.00 58.31 55.63 3df2 n LYS 65 Cb 0.00 -1.92 -0.09 0.00 -0.02 0.00 0.00 35.03 33.00 3df2 n LYS 65 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3df2 s VAL 66 N -2.36 3.98 -0.19 -0.18 1.01 -1.26 -1.84 120.40 119.55 3df2 s VAL 66 Ca 0.60 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3df2 s VAL 66 Cb -0.19 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 3df2 s VAL 66 CO 0.65 0.36 -0.26 1.17 0.00 0.00 0.00 175.10 177.03 3df2 n LYS 67 N 1.39 0.42 -2.52 2.72 3.00 0.42 -2.51 118.16 121.08 3df2 n LYS 67 Ca -0.15 0.18 -0.05 0.00 -0.00 0.00 0.00 58.31 58.29 3df2 n LYS 67 Cb 0.53 -1.21 0.01 0.00 0.00 0.00 0.00 35.03 34.35 3df2 n LYS 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3df2 n PHE 68 N -3.93 -2.73 -2.54 5.64 3.72 -1.19 -4.84 117.46 111.59 3df2 n PHE 68 Ca -0.37 1.11 -0.21 0.00 -0.05 0.00 0.00 57.45 57.94 3df2 n PHE 68 Cb 0.74 -3.49 0.11 0.00 -0.94 0.00 0.00 39.48 35.90 3df2 n PHE 68 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3df2 n GLU 69 N -0.25 -0.08 -2.73 -1.08 1.02 -0.00 -4.92 120.64 112.60 3df2 n GLU 69 Ca 0.08 -2.41 -0.08 0.00 -0.02 0.00 0.00 57.16 54.73 3df2 n GLU 69 Cb 0.31 -0.62 0.08 0.00 -0.02 0.00 0.00 31.44 31.20 3df2 n GLU 69 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3df2 n VAL 70 N -2.74 0.00 -4.38 2.62 3.14 -1.10 -4.10 118.33 111.77 3df2 n VAL 70 Ca 0.15 -1.40 -0.19 0.00 -2.96 0.00 0.00 64.34 59.94 3df2 n VAL 70 Cb 0.53 1.45 -0.10 0.00 -1.06 0.00 0.00 33.84 34.65 3df2 n VAL 70 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3df2 s LYS 71 N 0.37 1.44 0.00 1.45 3.01 -1.25 -4.98 119.74 119.77 3df2 s LYS 71 Ca 0.25 -1.72 0.00 0.00 -1.01 0.00 0.00 55.97 53.48 3df2 s LYS 71 Cb 0.27 -0.90 0.00 0.00 -1.01 0.00 0.00 37.83 36.19 3df2 s LYS 71 CO -0.12 -0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.13 3df2 n GLY 72 N -0.50 2.48 3.38 -3.33 0.00 -1.25 -4.70 105.19 101.28 3df2 n GLY 72 Ca -0.05 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 3df2 n GLY 72 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3df2 n PRO 73 N 1.27 0.19 -2.31 1.61 -0.02 -1.26 -1.99 135.00 132.49 3df2 n PRO 73 Ca 0.00 0.10 -0.14 0.00 -2.02 0.00 0.00 63.50 61.43 3df2 n PRO 73 Cb 0.00 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 3df2 n PRO 73 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3df2 n LYS 74 N -0.14 -2.01 0.00 -0.52 5.02 -1.26 -4.13 118.16 115.12 3df2 n LYS 74 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3df2 n LYS 74 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 3df2 n LYS 74 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3df2 n ASN 75 N -1.70 0.00 -1.98 4.39 4.05 -0.84 -4.90 115.26 114.28 3df2 n ASN 75 Ca -0.17 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.86 3df2 n ASN 75 Cb 0.61 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.62 3df2 n ASN 75 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3df2 n ARG 76 N 0.00 -5.34 0.00 1.20 1.74 -1.26 -3.93 116.66 109.07 3df2 n ARG 76 Ca 0.00 3.81 0.00 0.00 -0.77 0.00 0.00 57.85 60.89 3df2 n ARG 76 Cb 0.00 -4.08 0.00 0.00 -1.02 0.00 0.00 32.46 27.36 3df2 n ARG 76 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3df2 n LYS 77 N 1.66 0.00 -0.68 5.56 3.00 -1.25 -3.94 118.16 122.51 3df2 n LYS 77 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 3df2 n LYS 77 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 34.07 3df2 n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3df2 n PHE 78 N -0.58 -0.42 -4.69 5.64 3.72 -1.22 -2.70 117.46 117.21 3df2 n PHE 78 Ca 0.00 0.25 -0.34 0.00 -0.05 0.00 0.00 57.45 57.32 3df2 n PHE 78 Cb 0.00 -2.14 -0.12 0.00 -0.94 0.00 0.00 39.48 36.28 3df2 n PHE 78 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3df2 s ILE 79 N -0.04 3.53 0.10 4.37 1.01 0.73 -0.82 121.20 130.08 3df2 s ILE 79 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3df2 s ILE 79 Cb 0.00 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3df2 s ILE 79 CO 0.00 0.59 -0.01 -0.44 0.00 0.00 0.00 174.94 175.09 3df2 s SER 80 N -0.75 0.69 -0.31 3.58 0.01 -1.26 -2.62 113.70 113.04 3df2 s SER 80 Ca 0.12 -1.09 -0.03 0.00 1.31 0.00 0.00 55.95 56.26 3df2 s SER 80 Cb -0.11 0.19 0.11 0.00 0.21 0.00 0.00 66.02 66.42 3df2 s SER 80 CO 0.01 -0.60 0.15 0.27 0.41 0.00 0.00 173.24 173.49 3df2 s ILE 81 N -3.85 0.04 0.00 1.44 -4.36 -1.26 0.16 121.20 113.37 3df2 s ILE 81 Ca 0.15 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 3df2 s ILE 81 Cb 0.07 -1.06 0.00 0.00 1.25 0.00 0.00 42.46 42.72 3df2 s ILE 81 CO -0.03 -0.81 0.00 -1.84 0.24 0.00 0.00 174.94 172.50 3df2 n GLU 82 N 4.85 0.17 -3.76 0.37 0.28 -0.77 -3.96 120.64 117.82 3df2 n GLU 82 Ca -0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.63 3df2 n GLU 82 Cb 0.40 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 3df2 n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3df2 s ALA 83 N -2.46 3.83 -1.85 -1.84 0.00 -1.26 -2.63 121.76 115.55 3df2 s ALA 83 Ca 0.00 -0.53 0.15 0.00 0.00 0.00 0.00 51.96 51.58 3df2 s ALA 83 Cb 0.00 -2.09 0.12 0.00 0.00 0.00 0.00 23.12 21.15 3df2 s ALA 83 CO 0.00 0.60 0.97 -0.85 0.00 0.00 0.00 175.76 176.48