#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yic s GLU -4 N 0.00 1.35 0.20 1.09 0.41 -1.26 -4.94 118.70 115.54 1yic s GLU -4 Ca 0.00 -1.71 0.00 0.00 -0.41 0.00 0.00 54.97 52.85 1yic s GLU -4 Cb 0.00 -0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.08 1yic s GLU -4 CO 0.00 -0.26 0.00 0.34 -0.49 0.00 0.00 175.26 174.85 1yic n PHE -3 N -0.42 0.00 -1.01 1.61 7.35 -1.26 -4.89 117.46 118.84 1yic n PHE -3 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1yic n PHE -3 Cb 0.66 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.49 1yic n PHE -3 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1yic n LYS -2 N 0.00 -2.85 0.00 -4.13 4.81 -1.26 -4.96 118.16 109.77 1yic n LYS -2 Ca 0.00 2.14 0.00 0.00 -0.87 0.00 0.00 58.31 59.58 1yic n LYS -2 Cb 0.00 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.58 1yic n LYS -2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yic n ALA -1 N -1.23 0.00 0.00 3.14 0.00 -1.26 -4.89 120.51 116.27 1yic n ALA -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yic n ALA -1 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1yic n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yic n GLY 1 N 1.17 0.72 2.85 0.00 0.00 -1.26 -4.09 105.19 104.59 1yic n GLY 1 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1yic n GLY 1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yic s SER 2 N -4.00 4.10 0.27 1.61 0.01 -1.26 -4.97 113.70 109.46 1yic s SER 2 Ca 0.00 -2.68 0.00 0.00 1.31 0.00 0.00 55.95 54.59 1yic s SER 2 Cb 0.00 -1.36 0.64 0.00 0.21 0.00 0.00 66.02 65.51 1yic s SER 2 CO 0.00 -0.27 1.68 0.00 0.41 0.00 0.00 173.24 175.06 1yic h ALA 3 N 6.82 1.24 -0.26 1.44 0.00 -1.89 -2.77 119.26 123.84 1yic h ALA 3 Ca -0.05 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1yic h ALA 3 Cb 0.93 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1yic h ALA 3 CO 0.58 -0.37 -0.30 -0.22 0.00 0.00 0.00 179.25 178.94 1yic h LYS 4 N 0.31 -0.30 -0.64 0.00 3.64 -1.93 0.51 116.57 118.16 1yic h LYS 4 Ca 0.51 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.89 1yic h LYS 4 Cb 0.95 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1yic h LYS 4 CO -0.55 -0.20 0.31 -0.22 -2.27 0.00 0.00 179.45 176.51 1yic h LYS 5 N -0.31 0.93 -0.98 1.90 1.63 -1.86 -2.39 116.57 115.49 1yic h LYS 5 Ca 0.13 -0.14 0.33 0.00 -0.85 0.00 0.00 60.65 60.12 1yic h LYS 5 Cb 0.52 -0.17 -0.16 0.00 -0.60 0.00 0.00 32.23 31.83 1yic h LYS 5 CO -0.43 0.75 0.49 0.78 -3.45 0.00 0.00 179.45 177.59 1yic h GLY 6 N 0.89 1.98 0.20 5.01 0.00 -0.71 -0.50 103.07 109.94 1yic h GLY 6 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1yic h GLY 6 CO -0.03 -0.54 -0.46 0.00 0.00 0.00 0.00 176.54 175.51 1yic h ALA 7 N 1.88 -0.99 -0.71 3.60 0.00 -0.54 0.11 119.26 122.60 1yic h ALA 7 Ca 0.73 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 1yic h ALA 7 Cb 1.69 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 20.25 1yic h ALA 7 CO -0.66 -1.08 0.24 0.00 0.00 0.00 0.00 179.25 177.75 1yic h THR 8 N -0.72 1.26 -0.56 0.00 1.03 -1.40 -0.93 112.91 111.58 1yic h THR 8 Ca -0.02 -0.87 0.11 0.00 -0.01 0.00 0.00 66.41 65.63 1yic h THR 8 Cb 0.69 0.48 -0.11 0.00 -1.07 0.00 0.00 68.15 68.14 1yic h THR 8 CO -0.20 0.34 -0.19 -0.07 -0.01 0.00 0.00 175.52 175.39 1yic h LEU 9 N 1.04 -0.67 -0.48 0.00 -0.00 -0.86 0.40 115.31 114.74 1yic h LEU 9 Ca 0.23 0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 58.25 1yic h LEU 9 Cb 0.28 0.40 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 1yic h LEU 9 CO -0.01 -0.22 0.13 0.15 -0.00 0.00 0.00 178.44 178.49 1yic h PHE 10 N -0.05 0.79 -0.05 1.13 3.04 -0.34 0.52 116.94 121.96 1yic h PHE 10 Ca 0.26 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1yic h PHE 10 Cb 0.46 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1yic h PHE 10 CO -0.50 0.70 -0.07 0.87 -2.02 0.00 0.00 178.31 177.29 1yic h LYS 11 N 0.64 0.08 0.00 1.11 1.79 0.36 0.91 116.57 121.46 1yic h LYS 11 Ca 0.15 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1yic h LYS 11 Cb 0.30 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1yic h LYS 11 CO -0.00 0.15 -1.85 0.25 -1.08 0.00 0.00 179.45 176.92 1yic n THR 12 N -4.41 0.22 -2.95 -0.16 -2.24 0.12 -4.53 114.28 100.33 1yic n THR 12 Ca -0.02 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1yic n THR 12 Cb 0.17 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.38 0.89 0.00 -0.78 1.74 0.18 -4.95 116.66 111.36 1yic n ARG 13 Ca -0.05 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 1yic n ARG 13 Cb 0.61 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1yic n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yic h LEU 15 N 0.00 0.00 -1.02 0.00 5.85 -1.09 0.27 115.31 119.32 1yic h LEU 15 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1yic h LEU 15 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1yic h LEU 15 CO 0.00 0.00 0.05 0.06 -0.34 0.00 0.00 178.44 178.21 1yic h GLN 16 N 0.00 0.76 0.00 1.25 3.07 -1.79 -3.27 115.11 115.12 1yic h GLN 16 Ca 0.00 -0.18 -0.31 0.00 0.09 0.00 0.00 58.65 58.25 1yic h GLN 16 Cb 0.27 -0.10 -0.05 0.00 0.08 0.00 0.00 27.48 27.68 1yic h GLN 16 CO 0.00 0.73 -2.03 0.00 0.09 0.00 0.00 178.83 177.62 1yic n HIS 18 N -4.29 -3.37 -3.98 0.00 8.25 0.68 -3.97 115.22 108.54 1yic n HIS 18 Ca -0.41 -0.67 -0.09 0.00 -0.26 0.00 0.00 57.72 56.29 1yic n HIS 18 Cb 0.76 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.49 1yic n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1yic s THR 19 N -1.36 0.01 -0.34 1.59 -4.23 -1.26 -4.21 115.64 105.85 1yic s THR 19 Ca 0.28 -1.37 0.09 0.00 -1.18 0.00 0.00 61.69 59.51 1yic s THR 19 Cb -0.01 -2.11 0.72 0.00 1.34 0.00 0.00 72.50 72.44 1yic s THR 19 CO 0.19 -0.05 1.80 0.55 -0.54 0.00 0.00 174.62 176.56 1yic n VAL 20 N -0.35 2.94 -2.95 2.29 3.14 -1.26 -1.67 118.33 120.47 1yic n VAL 20 Ca -0.03 -1.74 -0.34 0.00 -2.96 0.00 0.00 64.34 59.27 1yic n VAL 20 Cb 0.62 -0.37 -0.07 0.00 -1.06 0.00 0.00 33.84 32.97 1yic n VAL 20 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1yic s GLU 21 N -3.05 4.19 0.25 1.45 8.01 -1.26 -4.01 118.70 124.30 1yic s GLU 21 Ca 0.55 0.97 -0.05 0.00 0.01 0.00 0.00 54.97 56.45 1yic s GLU 21 Cb 0.44 -2.39 0.50 0.00 -4.31 0.00 0.00 34.13 28.37 1yic s GLU 21 CO 0.12 0.10 1.65 -0.22 0.01 0.00 0.00 175.26 176.92 1yic h LYS 22 N 2.30 0.15 -1.74 1.61 3.64 -1.95 -3.07 116.57 117.50 1yic h LYS 22 Ca -0.48 -0.01 -0.47 0.00 -1.27 0.00 0.00 60.65 58.42 1yic h LYS 22 Cb 1.18 -0.03 -0.37 0.00 -0.41 0.00 0.00 32.23 32.60 1yic h LYS 22 CO 0.63 0.10 -1.08 0.41 -2.27 0.00 0.00 179.45 177.24 1yic n GLY 23 N -1.40 3.01 3.44 5.01 0.00 -1.26 -4.89 105.19 109.10 1yic n GLY 23 Ca 0.15 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.98 1.51 0.00 -0.02 0.00 -1.16 -4.86 107.32 100.81 1yic s GLY 24 Ca 0.37 -0.28 0.17 0.00 0.00 0.00 0.00 44.72 44.98 1yic s GLY 24 CO -0.09 0.51 1.43 -1.55 0.00 0.00 0.00 173.10 173.41 1yic n PRO 25 N -5.12 0.42 -1.86 2.90 -0.04 -1.26 -4.78 135.00 125.26 1yic n PRO 25 Ca 0.04 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 1yic n PRO 25 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1yic n PRO 25 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1yic n HIS 26 N -1.11 -0.58 -1.62 0.54 8.25 -1.26 -4.93 115.22 114.51 1yic n HIS 26 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 1yic n HIS 26 Cb 0.08 -3.20 0.04 0.00 1.12 0.00 0.00 29.99 28.03 1yic n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1yic n LYS 27 N -2.45 1.14 0.00 -0.41 2.85 -1.26 -3.89 118.16 114.15 1yic n LYS 27 Ca -0.18 0.43 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1yic n LYS 27 Cb 0.60 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yic n VAL 28 N -1.23 0.00 -3.52 0.58 0.31 -1.26 -4.42 118.33 108.79 1yic n VAL 28 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.25 1yic n VAL 28 Cb 0.44 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.37 1yic n VAL 28 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yic s GLY 29 N 0.00 1.50 0.48 2.92 0.00 -1.25 -5.08 107.32 105.88 1yic s GLY 29 Ca 0.00 -1.35 -0.19 0.00 0.00 0.00 0.00 44.72 43.18 1yic s GLY 29 CO 0.00 -1.28 0.98 2.56 0.00 0.00 0.00 173.10 175.37 1yic s PRO 30 N -4.18 4.00 0.49 2.90 0.04 -1.26 -4.37 135.00 132.61 1yic s PRO 30 Ca 0.43 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.36 1yic s PRO 30 Cb -0.09 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1yic s PRO 30 CO 0.32 -0.23 1.33 -0.80 0.04 0.00 0.00 177.00 177.65 1yic s ASN 31 N -2.43 5.73 -0.03 6.66 0.01 -1.26 -4.65 114.94 118.96 1yic s ASN 31 Ca 0.62 2.70 -0.03 0.00 -0.71 0.00 0.00 52.86 55.44 1yic s ASN 31 Cb -0.11 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.90 1yic s ASN 31 CO 0.21 -1.25 -0.05 0.18 -1.51 0.00 0.00 177.10 174.68 1yic n LEU 32 N -0.56 0.40 0.00 0.60 4.32 -0.67 -4.83 117.00 116.25 1yic n LEU 32 Ca 0.08 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1yic n LEU 32 Cb 0.45 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 1yic n LEU 32 CO 0.54 -0.48 0.00 1.57 -1.22 0.00 0.00 177.39 177.80 1yic n HIS 33 N -2.82 0.00 -0.62 -1.77 -0.00 -1.26 -1.41 115.22 107.34 1yic n HIS 33 Ca -0.02 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.12 1yic n HIS 33 Cb 0.08 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.90 1yic n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yic n GLY 34 N 0.00 2.53 0.32 1.57 0.00 -1.26 -4.21 105.19 104.14 1yic n GLY 34 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 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 1.40 1.25 -1.37 -0.61 6.09 -1.60 -3.41 117.51 119.26 1yic h ILE 35 Ca 0.06 -0.79 -0.65 0.00 -1.37 0.00 0.00 64.86 62.12 1yic h ILE 35 Cb 1.09 0.39 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 1yic h ILE 35 CO 0.08 0.32 1.44 0.49 -3.07 0.00 0.00 178.15 177.42 1yic n PHE 36 N -4.34 1.72 0.00 2.19 3.72 -1.26 -0.46 117.46 119.03 1yic n PHE 36 Ca 0.06 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1yic n PHE 36 Cb 0.18 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 36.12 1yic n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yic n GLY 37 N 6.31 0.79 3.96 1.37 0.00 0.22 -5.02 105.19 112.82 1yic n GLY 37 Ca 0.38 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.01 2.94 0.55 1.61 0.52 0.39 -4.84 118.95 120.12 1yic s ARG 38 Ca 0.00 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.63 1yic s ARG 38 Cb 0.00 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.95 1yic s ARG 38 CO 0.00 -0.37 0.79 -1.01 0.02 0.00 0.00 175.30 174.73 1yic s HIS 39 N -2.60 2.96 -0.88 -0.53 3.76 -1.26 -0.83 115.29 115.91 1yic s HIS 39 Ca 0.50 0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 55.29 1yic s HIS 39 Cb -0.10 -2.71 -0.10 0.00 1.11 0.00 0.00 32.58 30.78 1yic s HIS 39 CO 0.38 -0.83 2.15 -1.54 -0.85 0.00 0.00 174.74 174.06 1yic s SER 40 N -4.39 4.50 0.00 1.40 1.04 0.12 -3.33 113.70 113.04 1yic s SER 40 Ca 0.56 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1yic s SER 40 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1yic s SER 40 CO 0.39 -3.37 0.00 0.61 0.98 0.00 0.00 173.24 171.86 1yic n GLY 41 N 6.74 0.00 2.36 7.32 0.00 -1.26 -3.74 105.19 116.61 1yic n GLY 41 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 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 1.51 -3.85 1.61 6.02 -1.21 -5.02 117.38 116.44 1yic n GLN 42 Ca 0.00 -3.75 -0.26 0.00 -0.01 0.00 0.00 57.00 52.98 1yic n GLN 42 Cb 0.00 -1.78 -0.03 0.00 1.02 0.00 0.00 30.24 29.46 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yic s ALA 43 N -2.45 3.91 -0.87 -1.58 0.00 -1.26 -4.95 121.76 114.55 1yic s ALA 43 Ca 0.41 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1yic s ALA 43 Cb 0.29 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.47 1yic s ALA 43 CO -0.09 0.46 2.04 0.39 0.00 0.00 0.00 175.76 178.55 1yic n GLU 44 N -0.70 1.87 0.00 0.00 4.71 -1.26 -4.69 120.64 120.56 1yic n GLU 44 Ca -0.06 -1.64 0.00 0.00 -0.01 0.00 0.00 57.16 55.44 1yic n GLU 44 Cb 0.54 -2.66 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1yic n GLY 45 N 4.08 0.17 3.42 0.62 0.00 -1.26 -5.07 105.19 107.15 1yic n GLY 45 Ca 0.47 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 45.13 1yic n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yic n TYR 46 N 0.00 -2.32 -3.24 1.61 9.36 -1.26 -4.83 117.16 116.48 1yic n TYR 46 Ca 0.00 0.56 -0.17 0.00 3.32 0.00 0.00 57.90 61.61 1yic n TYR 46 Cb 0.00 -0.98 -0.06 0.00 -0.63 0.00 0.00 39.34 37.67 1yic n TYR 46 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1yic s SER 47 N -4.46 0.65 0.85 2.98 0.15 -1.26 -5.13 113.70 107.48 1yic s SER 47 Ca 0.00 -2.10 -0.11 0.00 0.70 0.00 0.00 55.95 54.44 1yic s SER 47 Cb 0.00 0.54 0.11 0.00 -1.71 0.00 0.00 66.02 64.96 1yic s SER 47 CO 0.00 -0.18 1.16 -0.31 1.20 0.00 0.00 173.24 175.11 1yic s TYR 48 N 0.86 1.81 0.55 3.44 2.02 -1.26 -5.01 117.35 119.76 1yic s TYR 48 Ca 0.25 1.72 -0.20 0.00 -0.37 0.00 0.00 57.07 58.47 1yic s TYR 48 Cb -0.06 -3.37 -0.05 0.00 -0.40 0.00 0.00 41.96 38.09 1yic s TYR 48 CO -0.08 -2.69 1.19 -0.08 -1.57 0.00 0.00 175.55 172.31 1yic s THR 49 N -2.47 2.82 0.41 -0.71 -1.32 -1.26 -4.90 115.64 108.22 1yic s THR 49 Ca 0.69 0.54 0.22 0.00 -1.21 0.00 0.00 61.69 61.92 1yic s THR 49 Cb -0.24 -3.23 0.42 0.00 -1.51 0.00 0.00 72.50 67.94 1yic s THR 49 CO 0.54 -0.09 1.72 0.44 -2.21 0.00 0.00 174.62 175.02 1yic h ASP 50 N 1.19 0.38 0.52 8.08 3.32 -1.95 -1.07 116.42 126.89 1yic h ASP 50 Ca -0.50 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 1yic h ASP 50 Cb 1.28 0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.89 1yic h ASP 50 CO 0.57 -0.01 -0.25 0.00 -1.72 0.00 0.00 179.24 177.83 1yic h ALA 51 N 1.62 -1.00 -0.71 3.45 0.00 -1.91 0.16 119.26 120.87 1yic h ALA 51 Ca 0.67 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.54 1yic h ALA 51 Cb 1.86 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.84 1yic h ALA 51 CO -0.34 -0.95 0.32 -0.97 0.00 0.00 0.00 179.25 177.31 1yic h ASN 52 N -0.81 0.36 0.27 0.00 -1.24 -1.79 0.11 115.58 112.48 1yic h ASN 52 Ca -0.07 0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1yic h ASN 52 Cb 0.53 0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.61 1yic h ASN 52 CO 0.12 0.18 -0.18 0.40 -1.29 0.00 0.00 177.43 176.66 1yic h ILE 53 N 0.51 0.00 -0.65 2.57 2.04 -1.20 -3.31 117.51 117.46 1yic h ILE 53 Ca 0.37 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.17 1yic h ILE 53 Cb 0.47 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1yic h ILE 53 CO -0.33 0.00 0.20 0.50 0.00 0.00 0.00 178.15 178.52 1yic h LYS 54 N -0.42 1.02 -5.71 2.37 3.64 -0.41 -3.16 116.57 113.90 1yic h LYS 54 Ca -0.04 -0.23 -0.52 0.00 -1.27 0.00 0.00 60.65 58.60 1yic h LYS 54 Cb 0.34 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1yic h LYS 54 CO 0.03 0.90 1.66 0.21 -2.27 0.00 0.00 179.45 179.98 1yic s LYS 55 N -5.39 3.31 -0.11 1.90 2.47 0.36 -4.95 119.74 117.34 1yic s LYS 55 Ca -0.12 -1.56 -0.33 0.00 -1.56 0.00 0.00 55.97 52.40 1yic s LYS 55 Cb 0.14 -5.40 -0.10 0.00 -1.46 0.00 0.00 37.83 31.01 1yic s LYS 55 CO 0.82 -3.00 1.97 0.27 0.16 0.00 0.00 175.35 175.58 1yic n ASN 56 N 11.05 3.45 -3.99 1.43 0.23 -1.20 -4.73 115.26 121.49 1yic n ASN 56 Ca 0.46 0.81 -0.25 0.00 -0.53 0.00 0.00 54.58 55.07 1yic n ASN 56 Cb 0.47 -1.41 -0.17 0.00 -2.08 0.00 0.00 39.78 36.58 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1yic s VAL 57 N 5.01 1.12 0.25 3.53 1.01 -1.26 -4.92 120.40 125.13 1yic s VAL 57 Ca 0.95 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1yic s VAL 57 Cb -0.61 -1.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 1yic s VAL 57 CO 0.48 0.36 1.15 -0.22 0.00 0.00 0.00 175.10 176.87 1yic s LEU 58 N 0.97 4.50 -0.59 3.92 2.96 -1.26 0.16 118.68 129.35 1yic s LEU 58 Ca -0.09 2.29 -0.20 0.00 -0.22 0.00 0.00 54.13 55.92 1yic s LEU 58 Cb -0.15 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 43.01 1yic s LEU 58 CO 0.00 -0.26 0.74 0.26 -1.32 0.00 0.00 176.35 175.77 1yic s TRP 59 N -0.75 2.94 0.08 5.38 0.23 -0.01 -4.41 118.94 122.40 1yic s TRP 59 Ca 0.48 -0.78 0.05 0.00 -2.03 0.00 0.00 56.10 53.82 1yic s TRP 59 Cb -0.33 -3.98 -0.03 0.00 0.03 0.00 0.00 33.47 29.17 1yic s TRP 59 CO 0.40 -1.31 -0.13 0.34 0.96 0.00 0.00 176.95 177.21 1yic s ASP 60 N 3.44 1.64 0.51 2.95 -1.08 -1.26 -0.61 116.67 122.25 1yic s ASP 60 Ca 0.15 -0.66 0.32 0.00 -0.52 0.00 0.00 52.55 51.83 1yic s ASP 60 Cb -0.22 -0.04 1.45 0.00 -1.46 0.00 0.00 42.92 42.65 1yic s ASP 60 CO 0.08 -0.12 1.81 -0.33 0.52 0.00 0.00 175.17 177.14 1yic h GLU 61 N 4.10 0.08 0.15 4.34 5.08 -1.97 0.27 114.58 126.62 1yic h GLU 61 Ca -0.40 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1yic h GLU 61 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1yic h GLU 61 CO 0.43 0.05 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.52 1yic h ASN 62 N 0.08 -0.17 0.47 1.42 4.21 -1.97 -3.08 115.58 116.54 1yic h ASN 62 Ca 0.55 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 58.05 1yic h ASN 62 Cb 2.01 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 39.24 1yic h ASN 62 CO -0.07 0.25 -0.34 -1.13 -1.29 0.00 0.00 177.43 174.85 1yic h ASN 63 N -0.94 -0.88 -1.04 5.81 -1.24 -1.64 -1.31 115.58 114.35 1yic h ASN 63 Ca -0.02 0.06 0.31 0.00 0.71 0.00 0.00 56.30 57.36 1yic h ASN 63 Cb 0.15 0.27 -0.14 0.00 0.73 0.00 0.00 38.32 39.34 1yic h ASN 63 CO 0.03 -0.51 0.61 -0.03 -1.29 0.00 0.00 177.43 176.25 1yic h MET 64 N -0.79 0.35 -0.01 6.67 4.05 -0.70 0.13 114.93 124.63 1yic h MET 64 Ca -0.05 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1yic h MET 64 Cb 0.67 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.35 1yic h MET 64 CO 0.02 0.23 -0.19 1.03 0.23 0.00 0.00 176.91 178.23 1yic h SER 65 N 0.36 -0.57 -0.52 1.39 0.87 -1.15 0.17 113.55 114.10 1yic h SER 65 Ca 0.71 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 61.34 1yic h SER 65 Cb 1.65 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.82 1yic h SER 65 CO -0.52 -0.26 0.29 1.05 -0.53 0.00 0.00 176.83 176.86 1yic h GLU 66 N -0.31 0.73 0.52 2.24 4.11 -0.52 -1.80 114.58 119.55 1yic h GLU 66 Ca 0.06 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1yic h GLU 66 Cb 0.39 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1yic h GLU 66 CO -0.19 0.56 -0.43 -0.92 0.07 0.00 0.00 179.01 178.10 1yic h TYR 67 N 0.70 -1.16 -0.43 2.06 3.20 -1.05 -3.06 116.97 117.23 1yic h TYR 67 Ca 0.18 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1yic h TYR 67 Cb 0.04 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1yic h TYR 67 CO -0.02 -0.61 0.29 -0.07 -1.64 0.00 0.00 178.16 176.11 1yic h LEU 68 N -0.94 0.43 -1.15 2.82 3.38 -0.46 0.23 115.31 119.62 1yic h LEU 68 Ca -0.06 -0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.11 1yic h LEU 68 Cb 0.80 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 1yic h LEU 68 CO -0.01 0.30 0.62 0.74 0.09 0.00 0.00 178.44 180.18 1yic h THR 69 N 0.51 0.66 -0.77 0.22 2.02 -1.22 0.16 112.91 114.48 1yic h THR 69 Ca 0.17 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1yic h THR 69 Cb 0.06 -0.03 -0.16 0.00 -1.74 0.00 0.00 68.15 66.28 1yic h THR 69 CO -0.04 0.12 -0.42 -3.20 0.37 0.00 0.00 175.52 172.35 1yic n ASN 70 N -4.71 -3.03 -0.98 4.18 2.85 0.67 -3.87 115.26 110.37 1yic n ASN 70 Ca 0.23 -2.56 0.00 0.00 -0.11 0.00 0.00 54.58 52.14 1yic n ASN 70 Cb 0.65 1.56 0.00 0.00 1.24 0.00 0.00 39.78 43.23 1yic n ASN 70 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1yic n PRO 71 N 2.77 0.48 0.00 1.20 -0.04 -0.32 -0.98 135.00 138.11 1yic n PRO 71 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1yic n PRO 71 Cb 0.58 -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 1.63 -0.04 0.00 0.00 175.50 177.09 1yic n LYS 73 N 0.74 0.00 -0.18 0.54 5.02 -1.26 -0.31 118.16 122.71 1yic n LYS 73 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1yic n LYS 73 Cb 0.24 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.29 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1yic h TYR 74 N 0.00 0.60 -3.37 2.13 3.20 -1.38 -3.26 116.97 114.87 1yic h TYR 74 Ca 0.00 0.02 -0.68 0.00 3.14 0.00 0.00 58.73 61.21 1yic h TYR 74 Cb 0.00 -0.19 -0.37 0.00 1.54 0.00 0.00 36.73 37.71 1yic h TYR 74 CO 0.00 0.33 -0.31 0.42 -1.64 0.00 0.00 178.16 176.96 1yic s ILE 75 N -6.14 3.75 -1.01 1.81 1.01 0.58 -5.03 121.20 116.16 1yic s ILE 75 Ca -0.13 -3.57 -0.24 0.00 0.00 0.00 0.00 60.65 56.72 1yic s ILE 75 Cb 0.13 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 1yic s ILE 75 CO 0.74 -0.98 1.95 -2.16 0.00 0.00 0.00 174.94 174.50 1yic s PRO 76 N -0.82 2.50 0.00 2.79 0.04 -1.23 -1.76 135.00 136.51 1yic s PRO 76 Ca 0.22 -0.63 0.00 0.00 0.04 0.00 0.00 61.00 60.64 1yic s PRO 76 Cb -0.13 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1yic s PRO 76 CO -0.09 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 173.70 1yic n GLY 77 N 6.43 0.53 3.65 0.56 0.00 -1.26 -4.94 105.19 110.16 1yic n GLY 77 Ca 0.42 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.96 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 0.04 -1.14 2.61 5.66 -0.72 -4.76 114.28 115.97 1yic n THR 78 Ca 0.00 -0.01 -0.18 0.00 -3.05 0.00 0.00 64.05 60.81 1yic n THR 78 Cb 0.00 -1.37 -0.06 0.00 -1.55 0.00 0.00 70.33 67.35 1yic n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1yic n LYS 79 N 3.42 2.04 -3.31 1.09 2.85 -1.26 -4.77 118.16 118.21 1yic n LYS 79 Ca 0.18 -1.63 -0.46 0.00 -1.05 0.00 0.00 58.31 55.35 1yic n LYS 79 Cb 0.26 -1.88 -0.04 0.00 -0.65 0.00 0.00 35.03 32.72 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1yic s MET 80 N -0.94 3.21 -0.54 -1.58 1.75 -1.26 -4.94 119.30 115.00 1yic s MET 80 Ca 0.49 -1.97 -0.05 0.00 -1.25 0.00 0.00 55.69 52.91 1yic s MET 80 Cb 0.30 -4.35 -0.03 0.00 2.84 0.00 0.00 34.83 33.59 1yic s MET 80 CO -0.10 -1.32 2.97 0.00 -0.65 0.00 0.00 175.02 175.92 1yic n ALA 81 N 4.82 6.57 -1.02 4.11 0.00 -1.26 -4.74 120.51 128.99 1yic n ALA 81 Ca -0.04 -2.90 0.00 0.00 0.00 0.00 0.00 53.44 50.50 1yic n ALA 81 Cb 0.42 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1yic n ALA 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yic n PHE 82 N 1.66 0.00 0.00 0.00 7.35 -1.26 -5.06 117.46 120.14 1yic n PHE 82 Ca 0.51 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.20 1yic n PHE 82 Cb 0.59 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.42 1yic n PHE 82 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yic n GLY 83 N 4.23 0.03 0.00 7.13 0.00 -1.26 -5.17 105.19 110.16 1yic n GLY 83 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1yic n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yic n GLY 84 N 0.00 1.97 2.98 -0.02 0.00 -1.26 -4.80 105.19 104.06 1yic n GLY 84 Ca 0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 1yic n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yic s LEU 85 N 0.00 4.98 -1.11 0.99 1.43 0.54 -4.93 118.68 120.58 1yic s LEU 85 Ca 0.00 -3.61 -0.18 0.00 -1.03 0.00 0.00 54.13 49.30 1yic s LEU 85 Cb 0.00 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 1yic s LEU 85 CO 0.00 -0.16 2.04 2.29 0.23 0.00 0.00 176.35 180.76 1yic n LYS 86 N 2.36 2.16 -3.63 1.70 2.85 -1.26 -4.32 118.16 118.02 1yic n LYS 86 Ca 0.17 -2.27 -0.11 0.00 -1.05 0.00 0.00 58.31 55.05 1yic n LYS 86 Cb 0.35 -3.14 -0.07 0.00 -0.65 0.00 0.00 35.03 31.52 1yic n LYS 86 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1yic s LYS 87 N 4.28 0.76 0.00 -1.58 2.36 -1.26 -5.04 119.74 119.25 1yic s LYS 87 Ca 0.53 1.04 0.28 0.00 -2.55 0.00 0.00 55.97 55.27 1yic s LYS 87 Cb 0.13 0.29 1.36 0.00 -1.05 0.00 0.00 37.83 38.57 1yic s LYS 87 CO 0.03 -0.11 1.94 -0.85 1.55 0.00 0.00 175.35 177.90 1yic n GLU 88 N 3.25 0.34 0.00 4.03 0.28 -1.26 -3.65 120.64 123.64 1yic n GLU 88 Ca -0.16 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1yic n GLU 88 Cb 0.57 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1yic n GLU 88 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1yic n LYS 89 N -1.31 0.00 -0.33 3.44 4.81 -1.26 -4.62 118.16 118.88 1yic n LYS 89 Ca 0.12 0.00 0.23 0.00 -0.87 0.00 0.00 58.31 57.79 1yic n LYS 89 Cb 0.23 -0.06 0.44 0.00 0.02 0.00 0.00 35.03 35.66 1yic n LYS 89 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1yic h ASP 90 N 0.00 -0.10 0.45 3.14 5.19 -1.97 0.52 116.42 123.65 1yic h ASP 90 Ca 0.00 0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 1yic h ASP 90 Cb 0.00 0.39 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 1yic h ASP 90 CO 0.00 -0.40 -0.37 -0.09 -3.12 0.00 0.00 179.24 175.26 1yic h ARG 91 N 0.00 -0.78 -0.27 3.56 1.12 -1.84 -0.03 114.38 116.14 1yic h ARG 91 Ca 0.73 0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 59.63 1yic h ARG 91 Cb 1.74 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 31.86 1yic h ARG 91 CO -0.86 -0.52 0.08 -0.91 -3.11 0.00 0.00 179.97 174.65 1yic h ASN 92 N -0.81 0.40 -0.90 -3.80 2.35 -0.35 -2.10 115.58 110.37 1yic h ASN 92 Ca -0.04 -0.21 0.17 0.00 -0.55 0.00 0.00 56.30 55.66 1yic h ASN 92 Cb 0.70 -0.11 -0.16 0.00 0.05 0.00 0.00 38.32 38.80 1yic h ASN 92 CO -0.02 0.51 -0.28 0.44 -1.65 0.00 0.00 177.43 176.43 1yic h ASP 93 N 0.28 -1.03 0.49 5.81 5.19 -0.76 0.11 116.42 126.50 1yic h ASP 93 Ca 0.09 0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1yic h ASP 93 Cb 0.25 0.62 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 1yic h ASP 93 CO -0.00 -0.30 -0.46 0.25 -3.12 0.00 0.00 179.24 175.61 1yic h LEU 94 N -0.02 -1.24 -0.60 1.55 5.85 -0.44 -1.54 115.31 118.86 1yic h LEU 94 Ca 0.39 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.34 1yic h LEU 94 Cb 0.64 0.41 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 1yic h LEU 94 CO -0.93 -0.63 -0.02 0.40 -0.34 0.00 0.00 178.44 176.93 1yic h ILE 95 N -0.95 0.50 -0.25 4.05 5.03 -0.49 -0.45 117.51 124.95 1yic h ILE 95 Ca -0.05 -0.03 0.01 0.00 -0.12 0.00 0.00 64.86 64.66 1yic h ILE 95 Cb 0.82 0.39 -0.02 0.00 -3.03 0.00 0.00 36.82 34.98 1yic h ILE 95 CO -0.05 0.02 0.14 0.71 -0.68 0.00 0.00 178.15 178.29 1yic h THR 96 N 0.10 1.02 -0.10 -0.27 1.35 -0.65 0.61 112.91 114.97 1yic h THR 96 Ca 0.31 -0.10 0.04 0.00 -0.55 0.00 0.00 66.41 66.11 1yic h THR 96 Cb 0.49 0.70 -0.06 0.00 -1.73 0.00 0.00 68.15 67.55 1yic h THR 96 CO -0.52 0.05 -0.39 0.22 -0.25 0.00 0.00 175.52 174.63 1yic h TYR 97 N 0.29 -1.09 -0.81 4.73 3.20 -0.63 -1.78 116.97 120.88 1yic h TYR 97 Ca 0.10 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.11 1yic h TYR 97 Cb 0.01 0.49 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 1yic h TYR 97 CO -0.08 -0.46 0.46 -0.07 -1.64 0.00 0.00 178.16 176.37 1yic h LEU 98 N -0.48 0.66 -0.88 2.82 3.38 -0.42 0.19 115.31 120.58 1yic h LEU 98 Ca 0.08 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1yic h LEU 98 Cb 0.61 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1yic h LEU 98 CO -0.36 0.38 0.50 0.50 0.09 0.00 0.00 178.44 179.55 1yic h LYS 99 N 0.78 0.77 0.45 1.13 1.63 -0.29 0.26 116.57 121.28 1yic h LYS 99 Ca 0.39 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.12 1yic h LYS 99 Cb 0.36 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1yic h LYS 99 CO -0.25 0.51 -0.21 -0.22 -3.45 0.00 0.00 179.45 175.83 1yic h LYS 100 N 0.79 -0.58 -0.50 1.90 3.64 -0.03 -3.33 116.57 118.46 1yic h LYS 100 Ca 0.45 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 60.01 1yic h LYS 100 Cb 0.50 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1yic h LYS 100 CO -0.29 -0.29 0.37 0.00 -2.27 0.00 0.00 179.45 176.97 1yic h ALA 101 N -0.84 2.46 -0.90 5.00 0.00 -0.30 0.18 119.26 124.86 1yic h ALA 101 Ca -0.06 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.07 1yic h ALA 101 Cb 0.55 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.24 1yic h ALA 101 CO 0.10 -0.63 0.30 0.77 0.00 0.00 0.00 179.25 179.80 1yic h SER 102 N 0.00 0.12 0.00 0.00 0.02 -0.60 -3.49 113.55 109.59 1yic h SER 102 Ca 0.24 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1yic h SER 102 Cb 0.97 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1yic h SER 102 CO -0.00 -0.13 0.00 1.21 -1.14 0.00 0.00 176.83 176.77