#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yic n GLU -4 N 0.00 -2.49 0.00 1.09 0.00 -1.26 -4.75 120.64 113.22 1yic n GLU -4 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 57.16 58.81 1yic n GLU -4 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 31.44 28.40 1yic n GLU -4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1yic n PHE -3 N -3.70 0.00 -1.24 4.31 7.35 -1.26 -4.90 117.46 118.02 1yic n PHE -3 Ca 0.01 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.85 1yic n PHE -3 Cb 0.64 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.39 1yic n PHE -3 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1yic n LYS -2 N 0.00 -2.85 -3.05 -4.13 5.02 -1.26 -4.78 118.16 107.10 1yic n LYS -2 Ca 0.00 2.32 -0.43 0.00 -2.02 0.00 0.00 58.31 58.18 1yic n LYS -2 Cb 0.00 -3.34 -0.06 0.00 -0.02 0.00 0.00 35.03 31.61 1yic n LYS -2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yic s ALA -1 N -4.03 3.33 0.06 7.82 0.00 -1.26 -4.89 121.76 122.79 1yic s ALA -1 Ca 0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.69 1yic s ALA -1 Cb 0.00 -3.36 -0.22 0.00 0.00 0.00 0.00 23.12 19.54 1yic s ALA -1 CO 0.00 -1.82 1.19 0.78 0.00 0.00 0.00 175.76 175.91 1yic h GLY 1 N 9.85 0.72 0.00 0.00 0.00 -1.86 -3.50 103.07 108.27 1yic h GLY 1 Ca -0.25 -1.20 0.00 0.00 0.00 0.00 0.00 47.33 45.88 1yic h GLY 1 CO 0.92 1.06 0.00 -1.26 0.00 0.00 0.00 176.54 177.26 1yic n SER 2 N -3.97 0.00 -0.13 0.19 2.88 -1.26 -4.91 113.62 106.42 1yic n SER 2 Ca -0.10 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.42 1yic n SER 2 Cb 0.80 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.48 1yic n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yic h ALA 3 N 0.00 1.29 0.00 -1.46 0.00 -1.87 -3.40 119.26 113.82 1yic h ALA 3 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1yic h ALA 3 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1yic h ALA 3 CO 0.00 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.39 1yic n LYS 4 N -4.31 0.00 -0.03 0.00 5.02 -1.26 0.14 118.16 117.72 1yic n LYS 4 Ca 0.04 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1yic n LYS 4 Cb 0.18 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.11 1yic n LYS 4 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1yic h LYS 5 N 0.00 0.13 -0.65 1.97 1.63 -1.92 -3.20 116.57 114.53 1yic h LYS 5 Ca 0.00 -0.06 0.18 0.00 -0.85 0.00 0.00 60.65 59.91 1yic h LYS 5 Cb 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.51 1yic h LYS 5 CO 0.00 0.56 0.01 0.41 -3.45 0.00 0.00 179.45 176.98 1yic n GLY 6 N 0.17 -0.88 0.45 5.01 0.00 0.50 -0.32 105.19 110.12 1yic n GLY 6 Ca -0.08 0.63 -0.18 0.00 0.00 0.00 0.00 46.02 46.40 1yic n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yic h ALA 7 N 1.29 -1.00 -0.61 4.61 0.00 -0.30 0.80 119.26 124.06 1yic h ALA 7 Ca 0.39 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1yic h ALA 7 Cb 0.81 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1yic h ALA 7 CO -0.61 -1.09 0.01 0.00 0.00 0.00 0.00 179.25 177.56 1yic h THR 8 N -0.94 1.26 -0.46 0.00 1.03 -1.09 -2.05 112.91 110.67 1yic h THR 8 Ca -0.06 -1.13 0.09 0.00 -0.01 0.00 0.00 66.41 65.29 1yic h THR 8 Cb 0.80 0.78 -0.10 0.00 -1.07 0.00 0.00 68.15 68.57 1yic h THR 8 CO -0.01 0.41 -0.34 -0.07 -0.01 0.00 0.00 175.52 175.51 1yic h LEU 9 N 0.97 -1.14 -0.66 0.00 -0.00 -0.42 0.57 115.31 114.63 1yic h LEU 9 Ca 0.17 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.25 1yic h LEU 9 Cb 0.54 0.54 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 1yic h LEU 9 CO 0.03 -0.32 0.38 0.15 -0.00 0.00 0.00 178.44 178.68 1yic h PHE 10 N -0.23 0.88 0.00 1.13 3.57 -0.62 0.45 116.94 122.11 1yic h PHE 10 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1yic h PHE 10 Cb 0.55 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1yic h PHE 10 CO -0.58 0.60 -0.28 0.87 -2.23 0.00 0.00 178.31 176.70 1yic h LYS 11 N 0.89 0.00 0.00 1.11 1.79 -0.34 0.18 116.57 120.20 1yic h LYS 11 Ca 0.23 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 1yic h LYS 11 Cb -0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1yic h LYS 11 CO -0.04 0.28 -1.79 0.25 -1.08 0.00 0.00 179.45 177.07 1yic n THR 12 N -3.88 0.23 -1.76 -0.16 -2.24 0.18 -4.66 114.28 102.00 1yic n THR 12 Ca -0.02 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1yic n THR 12 Cb 0.36 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1yic n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yic n ARG 13 N -2.39 0.00 0.07 -0.78 1.74 0.15 -4.96 116.66 110.50 1yic n ARG 13 Ca -0.05 -0.83 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1yic n ARG 13 Cb 0.60 -0.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 1yic n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yic n LEU 15 N -2.85 0.00 -0.16 0.00 7.94 -0.17 -0.59 117.00 121.17 1yic n LEU 15 Ca 0.00 0.43 -0.07 0.00 -1.11 0.00 0.00 56.01 55.26 1yic n LEU 15 Cb 0.00 -0.43 0.09 0.00 0.53 0.00 0.00 43.42 43.61 1yic n LEU 15 CO 0.00 -0.43 0.85 1.56 -1.11 0.00 0.00 177.39 178.26 1yic h GLN 16 N 0.00 0.94 0.00 1.96 4.20 -1.85 -3.31 115.11 117.05 1yic h GLN 16 Ca 0.00 -0.28 -0.21 0.00 0.06 0.00 0.00 58.65 58.22 1yic h GLN 16 Cb 0.13 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1yic h GLN 16 CO 0.00 0.93 -1.82 0.00 -0.67 0.00 0.00 178.83 177.26 1yic n HIS 18 N -2.43 -0.42 0.00 0.00 8.25 -0.15 -0.71 115.22 119.76 1yic n HIS 18 Ca -0.19 -0.99 0.00 0.00 -0.26 0.00 0.00 57.72 56.28 1yic n HIS 18 Cb 0.87 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.82 1yic n HIS 18 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1yic n THR 19 N -0.81 0.00 -3.68 1.59 -2.24 -1.26 -4.19 114.28 103.69 1yic n THR 19 Ca -0.04 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.47 1yic n THR 19 Cb 0.26 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.32 1yic n THR 19 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yic s VAL 20 N 1.65 0.21 0.15 2.28 0.11 -1.26 -4.21 120.40 119.33 1yic s VAL 20 Ca 0.00 -0.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.83 1yic s VAL 20 Cb 0.00 -0.76 0.15 0.00 -1.53 0.00 0.00 36.38 34.24 1yic s VAL 20 CO 0.00 -0.20 0.66 1.21 -3.33 0.00 0.00 175.10 173.44 1yic n GLU 21 N 5.17 -0.03 -0.20 1.54 0.00 -1.26 -0.88 120.64 124.99 1yic n GLU 21 Ca -0.08 0.58 0.11 0.00 0.00 0.00 0.00 57.16 57.77 1yic n GLU 21 Cb 0.48 -1.03 0.20 0.00 0.00 0.00 0.00 31.44 31.10 1yic n GLU 21 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1yic n LYS 22 N -3.99 -0.04 -2.72 5.31 -0.00 -1.26 -0.34 118.16 115.10 1yic n LYS 22 Ca 0.15 0.85 -0.09 0.00 -0.00 0.00 0.00 58.31 59.22 1yic n LYS 22 Cb 0.51 -1.39 0.04 0.00 -0.00 0.00 0.00 35.03 34.20 1yic n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yic n GLY 23 N -1.26 1.66 3.20 2.58 0.00 -0.06 -5.11 105.19 106.19 1yic n GLY 23 Ca 0.15 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1yic n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yic s GLY 24 N -2.63 1.02 0.00 -0.02 0.00 0.53 -4.80 107.32 101.43 1yic s GLY 24 Ca 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1yic s GLY 24 CO 0.00 -0.61 0.00 -1.55 0.00 0.00 0.00 173.10 170.94 1yic n PRO 25 N 2.80 0.00 -3.32 2.90 -0.04 -1.26 -4.51 135.00 131.57 1yic n PRO 25 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 1yic n PRO 25 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1yic n PRO 25 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1yic s HIS 26 N 0.00 -0.66 0.00 0.54 3.76 -1.26 -4.14 115.29 113.52 1yic s HIS 26 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1yic s HIS 26 Cb 0.00 -0.22 0.00 0.00 1.11 0.00 0.00 32.58 33.47 1yic s HIS 26 CO 0.00 -1.02 0.00 0.36 -0.85 0.00 0.00 174.74 173.23 1yic n LYS 27 N 4.31 0.00 0.31 1.40 2.85 -1.26 -4.91 118.16 120.86 1yic n LYS 27 Ca 0.11 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.24 1yic n LYS 27 Cb 0.48 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.80 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yic h VAL 28 N 0.00 0.00 -2.84 0.58 2.07 -1.68 -3.43 116.25 110.95 1yic h VAL 28 Ca 0.00 -0.24 -0.50 0.00 0.82 0.00 0.00 66.70 66.78 1yic h VAL 28 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1yic h VAL 28 CO 0.00 0.00 -0.24 -0.83 0.02 0.00 0.00 177.57 176.52 1yic s GLY 29 N -2.26 1.55 0.36 2.17 0.00 0.11 -5.03 107.32 104.22 1yic s GLY 29 Ca -0.12 -0.85 -0.27 0.00 0.00 0.00 0.00 44.72 43.48 1yic s GLY 29 CO 0.36 -0.79 1.24 2.56 0.00 0.00 0.00 173.10 176.47 1yic s PRO 30 N -3.88 4.23 0.51 2.90 0.04 -1.26 -4.53 135.00 133.00 1yic s PRO 30 Ca 0.40 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.25 1yic s PRO 30 Cb -0.10 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.46 1yic s PRO 30 CO 0.33 -0.23 1.33 0.09 0.04 0.00 0.00 177.00 178.55 1yic n ASN 31 N 0.51 2.66 0.00 6.66 3.02 -1.26 -4.77 115.26 122.07 1yic n ASN 31 Ca 0.02 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1yic n ASN 31 Cb 0.44 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.05 1yic n ASN 31 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yic n LEU 32 N -0.60 0.00 0.00 3.41 4.32 -1.26 -4.51 117.00 118.36 1yic n LEU 32 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1yic n LEU 32 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1yic n LEU 32 CO 0.55 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.72 1yic n HIS 33 N 0.00 0.00 -0.39 -1.77 1.44 -1.26 -3.91 115.22 109.33 1yic n HIS 33 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1yic n HIS 33 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1yic n HIS 33 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yic n GLY 34 N 0.00 1.21 0.39 -1.39 0.00 -1.26 -4.24 105.19 99.90 1yic n GLY 34 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 1yic n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yic h ILE 35 N 1.05 0.14 -2.33 -0.61 6.09 -1.93 -3.30 117.51 116.62 1yic h ILE 35 Ca 0.00 0.00 -0.58 0.00 -1.37 0.00 0.00 64.86 62.91 1yic h ILE 35 Cb 0.69 0.14 -0.01 0.00 0.47 0.00 0.00 36.82 38.11 1yic h ILE 35 CO 0.00 0.00 1.36 -0.36 -3.07 0.00 0.00 178.15 176.08 1yic s PHE 36 N -5.88 1.49 0.00 2.19 0.08 -1.26 -0.68 117.98 113.92 1yic s PHE 36 Ca -0.15 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.38 1yic s PHE 36 Cb 0.10 -4.03 0.00 0.00 -0.57 0.00 0.00 43.02 38.53 1yic s PHE 36 CO 0.65 -3.72 0.00 0.41 -0.10 0.00 0.00 175.22 172.46 1yic n GLY 37 N 5.43 2.34 3.84 4.36 0.00 -1.07 -5.04 105.19 115.05 1yic n GLY 37 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 1yic n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yic s ARG 38 N -0.12 2.31 0.10 1.61 0.52 0.14 -4.97 118.95 118.54 1yic s ARG 38 Ca 0.00 -1.87 0.07 0.00 -0.52 0.00 0.00 55.73 53.42 1yic s ARG 38 Cb 0.00 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1yic s ARG 38 CO 0.00 -0.35 -0.10 -1.01 0.02 0.00 0.00 175.30 173.86 1yic s HIS 39 N -2.65 2.73 -0.27 -0.53 3.76 -1.26 -1.49 115.29 115.59 1yic s HIS 39 Ca 0.38 -0.16 -0.31 0.00 -0.15 0.00 0.00 55.06 54.83 1yic s HIS 39 Cb -0.00 -1.43 -0.07 0.00 1.11 0.00 0.00 32.58 32.18 1yic s HIS 39 CO 0.22 0.42 2.21 -1.13 -0.85 0.00 0.00 174.74 175.62 1yic n SER 40 N 0.71 2.85 0.00 1.40 3.41 0.72 -3.52 113.62 119.19 1yic n SER 40 Ca -0.14 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1yic n SER 40 Cb 0.52 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1yic n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yic n GLY 41 N 6.06 0.72 1.42 5.00 0.00 -1.26 -3.43 105.19 113.70 1yic n GLY 41 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1yic n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yic n GLN 42 N 0.00 0.00 0.00 1.61 6.02 -1.23 -4.96 117.38 118.82 1yic n GLN 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1yic n GLN 42 Cb 0.00 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 30.96 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yic n ALA 43 N -3.19 0.00 -2.14 -1.58 0.00 -1.26 -4.39 120.51 107.95 1yic n ALA 43 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1yic n ALA 43 Cb 0.13 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.60 1yic n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yic n GLU 44 N 5.77 0.07 0.00 0.00 1.02 -1.26 -4.95 120.64 121.29 1yic n GLU 44 Ca 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 1yic n GLU 44 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yic n GLY 45 N 0.11 0.00 3.88 0.62 0.00 -1.26 -5.15 105.19 103.39 1yic n GLY 45 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1yic n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yic s TYR 46 N 0.00 3.44 -1.09 1.61 5.04 -1.26 -5.01 117.35 120.08 1yic s TYR 46 Ca 0.00 0.85 -0.07 0.00 -2.44 0.00 0.00 57.07 55.41 1yic s TYR 46 Cb 0.00 -2.26 0.29 0.00 0.35 0.00 0.00 41.96 40.34 1yic s TYR 46 CO 0.00 0.17 1.20 -1.13 -1.34 0.00 0.00 175.55 174.45 1yic n SER 47 N -0.60 5.70 -4.28 4.32 3.41 -1.26 -5.02 113.62 115.89 1yic n SER 47 Ca 0.00 -3.15 -0.34 0.00 -0.26 0.00 0.00 58.87 55.12 1yic n SER 47 Cb 0.53 -1.33 0.11 0.00 -0.26 0.00 0.00 64.21 63.26 1yic n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1yic n TYR 48 N 2.25 -2.23 1.00 7.33 4.02 -1.26 -4.92 117.16 123.35 1yic n TYR 48 Ca 0.25 0.19 0.13 0.00 -0.01 0.00 0.00 57.90 58.45 1yic n TYR 48 Cb 0.37 -1.65 0.59 0.00 -0.02 0.00 0.00 39.34 38.63 1yic n TYR 48 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1yic n THR 49 N -3.51 0.20 0.00 -0.72 -1.04 -1.26 -4.91 114.28 103.04 1yic n THR 49 Ca 0.03 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1yic n THR 49 Cb 0.57 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1yic n THR 49 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1yic n ASP 50 N -1.43 0.00 -0.02 8.00 2.03 -1.26 -4.85 116.55 119.01 1yic n ASP 50 Ca 0.08 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.31 1yic n ASP 50 Cb 0.27 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.65 1yic n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yic h ALA 51 N 0.00 -0.05 -0.52 -1.67 0.00 -1.91 0.24 119.26 115.35 1yic h ALA 51 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1yic h ALA 51 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1yic h ALA 51 CO 0.00 -0.60 -0.05 -0.97 0.00 0.00 0.00 179.25 177.62 1yic h ASN 52 N -0.19 0.95 0.32 0.00 -1.24 -1.91 -0.39 115.58 113.12 1yic h ASN 52 Ca 0.11 -0.33 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 1yic h ASN 52 Cb 0.36 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 1yic h ASN 52 CO -0.29 1.05 -0.36 0.40 -1.29 0.00 0.00 177.43 176.94 1yic h ILE 53 N 0.82 0.00 -0.56 2.57 2.04 -1.56 -2.98 117.51 117.85 1yic h ILE 53 Ca 0.14 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.09 1yic h ILE 53 Cb 0.60 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1yic h ILE 53 CO 0.04 0.00 0.38 0.50 0.00 0.00 0.00 178.15 179.06 1yic h LYS 54 N -0.68 0.36 -0.69 2.37 3.64 -0.44 0.15 116.57 121.28 1yic h LYS 54 Ca -0.04 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.47 1yic h LYS 54 Cb 0.60 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 1yic h LYS 54 CO -0.07 0.24 0.09 -0.22 -2.27 0.00 0.00 179.45 177.22 1yic h LYS 55 N 0.37 0.19 -6.58 1.90 1.63 -0.91 -3.47 116.57 109.70 1yic h LYS 55 Ca 0.26 -0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 59.53 1yic h LYS 55 Cb 0.52 -0.04 0.03 0.00 -0.60 0.00 0.00 32.23 32.14 1yic h LYS 55 CO -0.07 0.12 -0.97 0.09 -3.45 0.00 0.00 179.45 175.18 1yic n ASN 56 N -5.22 -4.79 -4.62 4.20 3.02 0.53 -4.96 115.26 103.42 1yic n ASN 56 Ca 0.12 -1.14 -0.35 0.00 -0.03 0.00 0.00 54.58 53.17 1yic n ASN 56 Cb 0.42 -2.52 -0.10 0.00 -0.61 0.00 0.00 39.78 36.97 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yic s VAL 57 N -3.47 4.91 0.29 2.41 1.01 -1.26 -4.73 120.40 119.56 1yic s VAL 57 Ca 0.46 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1yic s VAL 57 Cb -0.21 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 1yic s VAL 57 CO 0.92 0.41 1.38 -0.22 0.00 0.00 0.00 175.10 177.59 1yic s LEU 58 N 0.76 4.40 -0.38 3.92 2.96 -1.26 -0.20 118.68 128.87 1yic s LEU 58 Ca 0.05 2.70 -0.18 0.00 -0.22 0.00 0.00 54.13 56.49 1yic s LEU 58 Cb -0.13 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1yic s LEU 58 CO 0.02 -0.64 0.48 0.26 -1.32 0.00 0.00 176.35 175.15 1yic s TRP 59 N -0.57 3.17 0.13 5.38 0.23 -0.55 -4.62 118.94 122.09 1yic s TRP 59 Ca 0.54 -0.06 0.04 0.00 -2.03 0.00 0.00 56.10 54.59 1yic s TRP 59 Cb -0.41 -2.92 -0.04 0.00 0.03 0.00 0.00 33.47 30.12 1yic s TRP 59 CO 0.49 -0.61 -0.10 -0.51 0.96 0.00 0.00 176.95 177.18 1yic s ASP 60 N 1.80 1.65 0.30 2.95 1.01 -1.26 -2.58 116.67 120.54 1yic s ASP 60 Ca 0.16 -0.95 0.01 0.00 0.71 0.00 0.00 52.55 52.48 1yic s ASP 60 Cb -0.16 0.00 0.73 0.00 1.01 0.00 0.00 42.92 44.50 1yic s ASP 60 CO 0.14 -0.32 1.59 1.05 0.21 0.00 0.00 175.17 177.84 1yic h GLU 61 N 3.02 0.05 0.37 8.23 9.09 -1.97 0.14 114.58 133.53 1yic h GLU 61 Ca -0.37 -0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.02 1yic h GLU 61 Cb 1.19 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1yic h GLU 61 CO 0.60 0.04 -0.18 -0.91 0.05 0.00 0.00 179.01 178.61 1yic h ASN 62 N 0.06 -0.42 0.01 3.06 2.35 -1.98 -2.40 115.58 116.25 1yic h ASN 62 Ca 0.58 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 1yic h ASN 62 Cb 1.18 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 1yic h ASN 62 CO -0.83 0.02 -0.03 -1.13 -1.65 0.00 0.00 177.43 173.81 1yic h ASN 63 N -1.06 -0.08 -0.92 5.81 -1.24 -1.77 0.28 115.58 116.60 1yic h ASN 63 Ca -0.05 0.01 0.25 0.00 0.71 0.00 0.00 56.30 57.22 1yic h ASN 63 Cb 0.48 0.03 -0.14 0.00 0.73 0.00 0.00 38.32 39.43 1yic h ASN 63 CO 0.08 -0.05 0.39 -0.03 -1.29 0.00 0.00 177.43 176.54 1yic h MET 64 N -0.06 0.32 0.39 6.67 4.05 -0.85 -0.33 114.93 125.11 1yic h MET 64 Ca 0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1yic h MET 64 Cb 0.07 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1yic h MET 64 CO -0.02 0.21 -0.35 1.03 0.23 0.00 0.00 176.91 178.00 1yic h SER 65 N 0.33 -0.95 -0.57 1.39 0.87 -0.41 0.11 113.55 114.32 1yic h SER 65 Ca 0.61 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 61.30 1yic h SER 65 Cb 1.24 0.31 -0.05 0.00 -0.44 0.00 0.00 62.40 63.46 1yic h SER 65 CO -0.59 -0.50 0.29 1.05 -0.53 0.00 0.00 176.83 176.54 1yic h GLU 66 N -0.76 0.53 0.26 2.24 4.11 -0.53 -0.30 114.58 120.13 1yic h GLU 66 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1yic h GLU 66 Cb 0.67 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1yic h GLU 66 CO -0.04 0.35 -0.51 -0.92 0.07 0.00 0.00 179.01 177.96 1yic h TYR 67 N 0.54 -1.44 -0.48 2.06 3.20 -1.08 -2.67 116.97 117.11 1yic h TYR 67 Ca 0.26 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.19 1yic h TYR 67 Cb 0.18 0.59 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 1yic h TYR 67 CO -0.10 -0.62 0.32 -0.07 -1.64 0.00 0.00 178.16 176.05 1yic h LEU 68 N -0.84 0.45 -1.55 2.82 3.38 -0.16 0.27 115.31 119.68 1yic h LEU 68 Ca -0.02 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.13 1yic h LEU 68 Cb 0.79 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1yic h LEU 68 CO -0.20 0.31 0.56 0.74 0.09 0.00 0.00 178.44 179.94 1yic h THR 69 N 0.52 0.72 -0.68 0.22 2.02 -0.73 0.44 112.91 115.42 1yic h THR 69 Ca 0.19 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1yic h THR 69 Cb 0.12 0.28 -0.16 0.00 -1.74 0.00 0.00 68.15 66.65 1yic h THR 69 CO -0.05 0.07 -0.34 0.21 0.37 0.00 0.00 175.52 175.79 1yic s ASN 70 N -5.76 -1.01 0.00 4.18 3.84 0.76 -4.06 114.94 112.90 1yic s ASN 70 Ca -0.08 -1.01 0.00 0.00 0.21 0.00 0.00 52.86 51.98 1yic s ASN 70 Cb 0.22 1.31 0.00 0.00 -0.55 0.00 0.00 41.25 42.23 1yic s ASN 70 CO 0.78 -0.06 0.43 -0.81 -2.79 0.00 0.00 177.10 174.65 1yic n PRO 71 N 3.16 0.46 0.00 0.43 -0.04 -0.07 -1.93 135.00 137.02 1yic n PRO 71 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1yic n PRO 71 Cb 0.59 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1yic n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yic n LYS 73 N 0.70 0.00 -0.16 0.54 4.81 -1.26 -0.23 118.16 122.56 1yic n LYS 73 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1yic n LYS 73 Cb 0.22 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.27 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1yic h TYR 74 N 0.00 0.62 -3.12 5.64 3.20 -1.73 -3.32 116.97 118.27 1yic h TYR 74 Ca 0.00 -0.01 -0.65 0.00 3.14 0.00 0.00 58.73 61.21 1yic h TYR 74 Cb 0.00 -0.20 -0.40 0.00 1.54 0.00 0.00 36.73 37.67 1yic h TYR 74 CO 0.00 0.46 -0.39 -0.89 -1.64 0.00 0.00 178.16 175.69 1yic n ILE 75 N -4.70 2.19 -1.94 1.81 5.41 0.68 -5.04 119.36 117.78 1yic n ILE 75 Ca 0.01 -4.99 -0.32 0.00 1.00 0.00 0.00 62.75 58.46 1yic n ILE 75 Cb 0.07 -2.25 -0.04 0.00 -0.71 0.00 0.00 39.64 36.71 1yic n ILE 75 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1yic s PRO 76 N -1.52 2.43 0.00 0.38 0.04 -1.25 -0.78 135.00 134.30 1yic s PRO 76 Ca 0.27 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1yic s PRO 76 Cb -0.04 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.81 1yic s PRO 76 CO -0.15 -3.20 0.00 0.41 0.04 0.00 0.00 177.00 174.10 1yic n GLY 77 N 6.25 1.29 3.57 0.56 0.00 -1.26 -4.97 105.19 110.64 1yic n GLY 77 Ca 0.32 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.84 1yic n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yic n THR 78 N 0.00 0.71 0.81 2.61 5.66 0.04 -4.82 114.28 119.29 1yic n THR 78 Ca 0.00 -0.18 0.04 0.00 -3.05 0.00 0.00 64.05 60.86 1yic n THR 78 Cb 0.00 -0.79 0.13 0.00 -1.55 0.00 0.00 70.33 68.12 1yic n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1yic n LYS 79 N 1.87 1.95 -1.73 1.09 5.02 -1.26 -4.74 118.16 120.37 1yic n LYS 79 Ca 0.16 -1.07 -0.18 0.00 -2.02 0.00 0.00 58.31 55.20 1yic n LYS 79 Cb 0.23 -1.43 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1yic s MET 80 N -1.64 1.92 -0.04 1.97 1.75 -1.26 -4.82 119.30 117.18 1yic s MET 80 Ca 0.19 0.26 -0.04 0.00 -1.25 0.00 0.00 55.69 54.85 1yic s MET 80 Cb 0.12 -4.86 -0.16 0.00 2.84 0.00 0.00 34.83 32.76 1yic s MET 80 CO 0.10 -4.07 3.09 0.00 -0.65 0.00 0.00 175.02 173.49 1yic n ALA 81 N 17.08 5.73 -2.46 4.11 0.00 -1.26 -4.91 120.51 138.81 1yic n ALA 81 Ca 0.44 -1.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.10 1yic n ALA 81 Cb 0.45 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 1yic n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1yic s PHE 82 N 0.45 3.54 0.08 0.00 5.36 -1.26 -5.02 117.98 121.14 1yic s PHE 82 Ca 0.48 0.90 -0.19 0.00 -0.96 0.00 0.00 56.93 57.16 1yic s PHE 82 Cb 0.24 -2.25 -0.06 0.00 -0.34 0.00 0.00 43.02 40.61 1yic s PHE 82 CO -0.02 0.41 1.32 0.78 -1.46 0.00 0.00 175.22 176.26 1yic h GLY 83 N 3.27 -1.47 -0.37 13.12 0.00 -1.91 -3.47 103.07 112.23 1yic h GLY 83 Ca -0.48 0.83 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1yic h GLY 83 CO 0.67 -0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1yic n GLY 84 N -1.20 0.06 3.12 4.60 0.00 -1.26 -4.86 105.19 105.65 1yic n GLY 84 Ca -0.01 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1yic n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yic n LEU 85 N 0.00 6.00 -3.38 0.99 4.77 0.15 -4.84 117.00 120.69 1yic n LEU 85 Ca 0.00 -4.17 -0.31 0.00 -0.03 0.00 0.00 56.01 51.50 1yic n LEU 85 Cb 0.00 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.39 1yic n LEU 85 CO 0.00 0.78 2.22 2.29 -1.33 0.00 0.00 177.39 181.35 1yic n LYS 86 N 6.53 1.78 -3.84 3.23 2.85 -1.26 -3.88 118.16 123.58 1yic n LYS 86 Ca 0.48 -1.62 -0.07 0.00 -1.05 0.00 0.00 58.31 56.05 1yic n LYS 86 Cb 0.41 -2.66 0.02 0.00 -0.65 0.00 0.00 35.03 32.16 1yic n LYS 86 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1yic s LYS 87 N 4.16 1.92 -0.05 -1.58 1.02 -1.26 -5.09 119.74 118.84 1yic s LYS 87 Ca 0.47 -1.24 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 1yic s LYS 87 Cb 0.12 0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 37.95 1yic s LYS 87 CO 0.03 -0.90 -0.08 -1.91 -0.92 0.00 0.00 175.35 171.58 1yic n GLU 88 N -0.60 0.17 0.28 1.68 2.13 -1.26 -4.43 120.64 118.61 1yic n GLU 88 Ca -0.06 0.28 -0.16 0.00 0.66 0.00 0.00 57.16 57.87 1yic n GLU 88 Cb 0.60 -1.02 -0.08 0.00 0.27 0.00 0.00 31.44 31.20 1yic n GLU 88 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1yic h LYS 89 N -0.36 -0.66 -0.85 5.31 1.63 -1.97 0.38 116.57 120.06 1yic h LYS 89 Ca 0.00 0.05 0.15 0.00 -0.85 0.00 0.00 60.65 59.99 1yic h LYS 89 Cb 0.22 0.15 -0.15 0.00 -0.60 0.00 0.00 32.23 31.85 1yic h LYS 89 CO 0.00 -0.44 -0.31 0.38 -3.45 0.00 0.00 179.45 175.62 1yic h ASP 90 N -0.69 -1.14 0.00 4.20 2.03 -1.94 0.46 116.42 119.34 1yic h ASP 90 Ca -0.06 0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1yic h ASP 90 Cb 0.54 0.63 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1yic h ASP 90 CO 0.09 -0.29 0.00 0.54 -1.03 0.00 0.00 179.24 178.54 1yic n ARG 91 N -5.50 0.00 -0.16 4.15 1.74 -1.05 -1.80 116.66 114.04 1yic n ARG 91 Ca 0.10 0.60 -0.08 0.00 -0.77 0.00 0.00 57.85 57.70 1yic n ARG 91 Cb 0.40 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1yic n ARG 91 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1yic h ASN 92 N 0.00 -1.28 -0.98 0.55 -1.24 0.97 0.34 115.58 113.94 1yic h ASN 92 Ca 0.00 0.18 0.13 0.00 0.71 0.00 0.00 56.30 57.32 1yic h ASN 92 Cb 0.00 0.54 -0.14 0.00 0.73 0.00 0.00 38.32 39.45 1yic h ASN 92 CO 0.00 -0.21 -0.45 -0.67 -1.29 0.00 0.00 177.43 174.80 1yic n ASP 93 N -4.42 -0.78 0.10 1.15 2.03 0.14 -0.32 116.55 114.45 1yic n ASP 93 Ca -0.01 1.73 -0.13 0.00 0.52 0.00 0.00 54.79 56.90 1yic n ASP 93 Cb 0.20 -0.33 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1yic n ASP 93 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1yic h LEU 94 N 0.00 -0.30 -0.58 -2.67 5.85 -0.25 -1.47 115.31 115.89 1yic h LEU 94 Ca 0.28 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.13 1yic h LEU 94 Cb 0.52 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 1yic h LEU 94 CO -0.96 -0.17 0.11 0.40 -0.34 0.00 0.00 178.44 177.48 1yic h ILE 95 N -0.25 0.64 -0.40 4.05 2.04 0.80 0.29 117.51 124.67 1yic h ILE 95 Ca 0.01 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1yic h ILE 95 Cb 0.24 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1yic h ILE 95 CO -0.03 0.04 0.23 0.71 0.00 0.00 0.00 178.15 179.10 1yic h THR 96 N 0.24 1.15 0.16 -0.27 1.35 -0.14 0.17 112.91 115.57 1yic h THR 96 Ca 0.30 -0.37 0.01 0.00 -0.55 0.00 0.00 66.41 65.81 1yic h THR 96 Cb 0.45 0.66 -0.04 0.00 -1.73 0.00 0.00 68.15 67.49 1yic h THR 96 CO -0.40 0.15 -0.46 0.22 -0.25 0.00 0.00 175.52 174.79 1yic h TYR 97 N 0.52 -1.29 -0.79 4.73 3.20 -0.57 -0.28 116.97 122.50 1yic h TYR 97 Ca 0.14 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1yic h TYR 97 Cb 0.04 0.54 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1yic h TYR 97 CO -0.03 -0.55 0.47 -0.07 -1.64 0.00 0.00 178.16 176.34 1yic h LEU 98 N -0.71 0.73 -0.52 2.82 3.38 -0.56 0.19 115.31 120.64 1yic h LEU 98 Ca 0.01 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1yic h LEU 98 Cb 0.72 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1yic h LEU 98 CO -0.24 0.47 0.22 0.50 0.09 0.00 0.00 178.44 179.47 1yic h LYS 99 N 0.86 0.40 -0.40 1.13 1.63 -0.31 0.17 116.57 120.07 1yic h LYS 99 Ca 0.35 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.06 1yic h LYS 99 Cb 0.18 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1yic h LYS 99 CO -0.18 0.27 0.01 -0.22 -3.45 0.00 0.00 179.45 175.88 1yic h LYS 100 N 0.42 0.69 -0.46 1.90 1.63 0.35 -0.46 116.57 120.64 1yic h LYS 100 Ca 0.24 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1yic h LYS 100 Cb 0.23 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1yic h LYS 100 CO -0.22 0.78 0.26 0.00 -3.45 0.00 0.00 179.45 176.81 1yic h ALA 101 N 0.89 1.58 0.19 5.00 0.00 -0.11 -2.90 119.26 123.91 1yic h ALA 101 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yic h ALA 101 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yic h ALA 101 CO 0.02 0.36 -0.09 0.66 0.00 0.00 0.00 179.25 180.19 1yic h SER 102 N 0.64 -0.21 -0.03 0.00 4.64 -0.45 -3.48 113.55 114.66 1yic h SER 102 Ca 0.17 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1yic h SER 102 Cb 0.01 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1yic h SER 102 CO -0.03 0.28 0.00 -0.62 -0.87 0.00 0.00 176.83 175.59