#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 1.19 -1.46 -2.82 4.71 -1.26 -4.79 120.64 116.21 1yic n GLU -4 Ca 0.00 0.45 -0.46 0.00 -0.01 0.00 0.00 57.16 57.15 1yic n GLU -4 Cb 0.00 -2.39 -0.09 0.00 -1.01 0.00 0.00 31.44 27.95 1yic n GLU -4 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1yic n PHE -3 N -1.57 1.22 -0.15 -0.32 7.35 -1.26 -4.83 117.46 117.90 1yic n PHE -3 Ca 0.13 0.33 -0.11 0.00 -0.76 0.00 0.00 57.45 57.05 1yic n PHE -3 Cb 0.46 -2.48 -0.01 0.00 0.35 0.00 0.00 39.48 37.80 1yic n PHE -3 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1yic h LYS -2 N 13.46 0.79 -3.54 -4.13 6.56 -1.96 -3.49 116.57 124.26 1yic h LYS -2 Ca -0.18 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1yic h LYS -2 Cb 1.32 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.92 1yic h LYS -2 CO 1.16 0.89 -0.57 0.00 -2.06 0.00 0.00 179.45 178.88 1yic n ALA -1 N -2.44 -2.48 -1.00 3.86 0.00 -1.26 -5.08 120.51 112.11 1yic n ALA -1 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1yic n ALA -1 Cb 0.34 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.03 -0.30 2.73 0.00 0.00 -0.28 -5.02 105.19 103.35 1yic n GLY 1 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1yic n GLY 1 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yic n SER 2 N 0.00 -2.48 0.00 1.61 2.88 -1.26 -5.01 113.62 109.37 1yic n SER 2 Ca 0.00 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1yic n SER 2 Cb 0.00 1.64 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 1yic n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yic n ALA 3 N 1.37 0.00 -0.30 -1.46 0.00 -1.26 -4.83 120.51 114.04 1yic n ALA 3 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1yic n ALA 3 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1yic n ALA 3 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1yic n LYS 4 N 0.00 0.00 0.11 0.00 4.81 -1.26 0.71 118.16 122.53 1yic n LYS 4 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1yic n LYS 4 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 1yic n LYS 4 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1yic h LYS 5 N 0.00 0.57 -0.97 1.64 1.57 -1.90 -3.36 116.57 114.13 1yic h LYS 5 Ca 0.00 -0.86 0.23 0.00 -1.87 0.00 0.00 60.65 58.15 1yic h LYS 5 Cb 0.00 0.30 -0.18 0.00 0.08 0.00 0.00 32.23 32.43 1yic h LYS 5 CO 0.00 1.40 -0.11 0.78 -0.57 0.00 0.00 179.45 180.95 1yic h GLY 6 N 0.18 0.95 0.42 3.86 0.00 0.10 0.26 103.07 108.84 1yic h GLY 6 Ca -0.22 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1yic h GLY 6 CO 0.25 -0.43 -0.43 0.00 0.00 0.00 0.00 176.54 175.93 1yic h ALA 7 N 1.96 -0.85 -0.42 3.60 0.00 -1.70 0.15 119.26 122.00 1yic h ALA 7 Ca 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1yic h ALA 7 Cb 0.94 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1yic h ALA 7 CO -0.95 -1.03 0.13 0.00 0.00 0.00 0.00 179.25 177.40 1yic h THR 8 N -0.76 1.22 -0.73 0.00 1.03 -1.08 -0.18 112.91 112.41 1yic h THR 8 Ca -0.01 -0.72 0.08 0.00 -0.01 0.00 0.00 66.41 65.75 1yic h THR 8 Cb 0.73 0.89 -0.11 0.00 -1.07 0.00 0.00 68.15 68.59 1yic h THR 8 CO -0.16 0.26 -0.55 -0.07 -0.01 0.00 0.00 175.52 174.99 1yic h LEU 9 N 0.54 -1.94 -0.37 0.00 -0.00 -0.46 0.56 115.31 113.64 1yic h LEU 9 Ca 0.14 0.29 0.04 0.00 -0.00 0.00 0.00 57.88 58.35 1yic h LEU 9 Cb 0.26 0.84 -0.04 0.00 -0.00 0.00 0.00 40.66 41.72 1yic h LEU 9 CO -0.00 -0.31 0.13 0.15 -0.00 0.00 0.00 178.44 178.40 1yic h PHE 10 N -0.18 0.23 0.00 1.13 3.04 -0.38 0.46 116.94 121.24 1yic h PHE 10 Ca 0.14 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 1yic h PHE 10 Cb 0.51 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.97 1yic h PHE 10 CO -0.87 0.09 -0.02 0.87 -2.02 0.00 0.00 178.31 176.37 1yic h LYS 11 N 0.28 0.00 -0.01 1.11 1.79 0.10 0.43 116.57 120.28 1yic h LYS 11 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1yic h LYS 11 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1yic h LYS 11 CO -0.18 0.02 -0.30 0.25 -1.08 0.00 0.00 179.45 178.16 1yic n THR 12 N -3.36 0.00 0.00 -0.16 -2.24 0.17 -4.57 114.28 104.12 1yic n THR 12 Ca -0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1yic n THR 12 Cb 0.12 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.41 0.00 -0.11 -0.78 5.12 0.15 -4.95 116.66 115.68 1yic n ARG 13 Ca 0.04 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.74 1yic n ARG 13 Cb 0.24 -0.43 -0.07 0.00 -1.16 0.00 0.00 32.46 31.03 1yic n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yic h LEU 15 N -0.83 0.00 -0.76 0.00 5.85 -1.31 0.31 115.31 118.57 1yic h LEU 15 Ca -0.50 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.38 1yic h LEU 15 Cb 1.41 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.30 1yic h LEU 15 CO -0.30 0.00 -0.13 1.56 -0.34 0.00 0.00 178.44 179.23 1yic h GLN 16 N 0.00 0.03 0.00 1.25 1.08 -1.79 -3.04 115.11 112.64 1yic h GLN 16 Ca 0.41 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.48 1yic h GLN 16 Cb 2.07 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.47 1yic h GLN 16 CO -0.00 0.02 -1.79 0.00 -0.95 0.00 0.00 178.83 176.10 1yic n HIS 18 N -2.25 0.09 0.00 0.00 8.25 0.25 -0.50 115.22 121.06 1yic n HIS 18 Ca -0.12 -0.90 0.00 0.00 -0.26 0.00 0.00 57.72 56.43 1yic n HIS 18 Cb 0.66 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.57 0.00 -3.82 1.59 -2.24 -1.26 -4.26 114.28 103.71 1yic n THR 19 Ca -0.06 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 1yic n THR 19 Cb 0.23 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.50 1yic n THR 19 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1yic n VAL 20 N -1.42 -2.15 0.00 2.28 3.14 -1.26 -4.90 118.33 114.02 1yic n VAL 20 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1yic n VAL 20 Cb 0.00 -3.03 0.00 0.00 -1.06 0.00 0.00 33.84 29.75 1yic n VAL 20 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1yic n GLU 21 N -4.71 0.00 -2.72 1.45 -0.58 -1.26 -4.75 120.64 108.07 1yic n GLU 21 Ca 0.03 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.70 1yic n GLU 21 Cb 0.53 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.49 1yic n GLU 21 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1yic n LYS 22 N 0.00 0.83 -0.46 3.49 0.00 -1.26 -4.73 118.16 116.04 1yic n LYS 22 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 58.31 56.62 1yic n LYS 22 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.09 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 0.58 0.81 3.64 3.14 0.00 -1.26 -5.11 105.19 107.00 1yic n GLY 23 Ca 0.05 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.91 1.64 0.00 -0.02 0.00 -1.26 -4.86 107.32 100.91 1yic s GLY 24 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 44.72 44.98 1yic s GLY 24 CO 0.00 0.75 0.60 -1.55 0.00 0.00 0.00 173.10 172.90 1yic n PRO 25 N -4.28 0.52 -1.33 2.90 -0.04 -1.26 -4.62 135.00 126.88 1yic n PRO 25 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1yic n PRO 25 Cb 0.53 -1.05 -0.05 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.55 -0.06 0.00 0.54 8.25 -1.26 -4.86 115.22 117.28 1yic n HIS 26 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1yic n HIS 26 Cb 0.01 -2.78 0.00 0.00 1.12 0.00 0.00 29.99 28.33 1yic n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yic n LYS 27 N -1.15 0.00 -0.09 -0.41 5.02 -1.25 -3.05 118.16 117.22 1yic n LYS 27 Ca -0.12 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.03 1yic n LYS 27 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.53 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yic n VAL 28 N -0.36 1.47 -4.00 -0.18 0.31 -0.91 -5.04 118.33 109.62 1yic n VAL 28 Ca 0.00 0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.07 1yic n VAL 28 Cb 0.00 -2.20 -0.05 0.00 -0.91 0.00 0.00 33.84 30.69 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 -5.01 1.92 0.55 2.92 0.00 0.34 -5.03 107.32 103.01 1yic s GLY 29 Ca -0.30 -1.02 -0.18 0.00 0.00 0.00 0.00 44.72 43.23 1yic s GLY 29 CO 0.42 -1.01 1.06 2.56 0.00 0.00 0.00 173.10 176.13 1yic s PRO 30 N -2.78 3.48 0.05 2.90 0.04 -1.26 -4.25 135.00 133.19 1yic s PRO 30 Ca 0.32 1.32 -0.34 0.00 0.04 0.00 0.00 61.00 62.35 1yic s PRO 30 Cb -0.12 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 1yic s PRO 30 CO 0.25 -0.69 1.74 0.09 0.04 0.00 0.00 177.00 178.44 1yic n ASN 31 N -1.56 3.39 -1.57 6.66 5.03 -1.26 -4.68 115.26 121.28 1yic n ASN 31 Ca 0.09 1.02 -0.04 0.00 0.87 0.00 0.00 54.58 56.52 1yic n ASN 31 Cb 0.52 -1.42 0.01 0.00 -1.02 0.00 0.00 39.78 37.87 1yic n ASN 31 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1yic n LEU 32 N 5.11 5.48 -4.68 3.41 4.77 -1.26 -4.70 117.00 125.12 1yic n LEU 32 Ca 0.19 -2.58 -0.42 0.00 -0.03 0.00 0.00 56.01 53.18 1yic n LEU 32 Cb 0.30 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 1yic n LEU 32 CO 0.68 1.03 1.20 -1.38 -1.33 0.00 0.00 177.39 177.58 1yic s HIS 33 N -0.47 2.59 -1.21 -1.77 -3.43 -1.26 -1.64 115.29 108.09 1yic s HIS 33 Ca 0.08 0.64 -0.10 0.00 -0.80 0.00 0.00 55.06 54.88 1yic s HIS 33 Cb 0.06 -3.73 0.08 0.00 -1.43 0.00 0.00 32.58 27.56 1yic s HIS 33 CO -0.00 -2.83 0.43 0.41 -2.00 0.00 0.00 174.74 170.76 1yic n GLY 34 N 3.80 -0.48 0.18 -1.38 0.00 -1.26 -4.83 105.19 101.22 1yic n GLY 34 Ca 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.83 1.10 -2.49 -0.61 -0.00 -1.67 -3.34 117.51 109.67 1yic h ILE 35 Ca -0.40 -0.20 -0.55 0.00 -0.00 0.00 0.00 64.86 63.72 1yic h ILE 35 Cb 1.27 0.48 -0.00 0.00 -0.00 0.00 0.00 36.82 38.57 1yic h ILE 35 CO 0.51 0.10 1.19 -0.36 -0.00 0.00 0.00 178.15 179.59 1yic s PHE 36 N -6.16 1.66 0.00 2.19 0.08 -1.26 -0.36 117.98 114.13 1yic s PHE 36 Ca -0.13 0.04 0.00 0.00 0.12 0.00 0.00 56.93 56.96 1yic s PHE 36 Cb 0.11 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.52 1yic s PHE 36 CO 0.73 -4.37 0.00 0.41 -0.10 0.00 0.00 175.22 171.89 1yic n GLY 37 N 4.52 0.22 3.92 4.36 0.00 0.38 -5.00 105.19 113.59 1yic n GLY 37 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.91 2.50 -0.01 1.61 0.52 0.51 -4.93 118.95 118.24 1yic s ARG 38 Ca 0.00 -1.59 0.01 0.00 -0.52 0.00 0.00 55.73 53.63 1yic s ARG 38 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1yic s ARG 38 CO 0.00 -0.37 0.00 -1.01 0.02 0.00 0.00 175.30 173.95 1yic s HIS 39 N -2.53 3.09 -0.76 -0.53 3.76 -1.26 -0.87 115.29 116.18 1yic s HIS 39 Ca 0.49 0.09 -0.26 0.00 -0.15 0.00 0.00 55.06 55.23 1yic s HIS 39 Cb -0.04 -1.68 -0.11 0.00 1.11 0.00 0.00 32.58 31.85 1yic s HIS 39 CO 0.29 0.46 2.34 -1.54 -0.85 0.00 0.00 174.74 175.44 1yic s SER 40 N -1.54 4.15 0.00 1.40 1.04 0.32 -3.42 113.70 115.65 1yic s SER 40 Ca 0.19 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1yic s SER 40 Cb -0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1yic s SER 40 CO 0.10 -3.58 0.00 0.61 0.98 0.00 0.00 173.24 171.35 1yic n GLY 41 N 6.69 -0.26 0.81 7.32 0.00 -1.26 -3.15 105.19 115.33 1yic n GLY 41 Ca 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 0.10 0.00 1.61 1.13 -1.22 -4.97 117.38 114.03 1yic n GLN 42 Ca 0.00 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1yic n GLN 42 Cb 0.00 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 29.77 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yic n ALA 43 N -3.43 0.00 -3.03 -1.58 0.00 -1.26 -4.66 120.51 106.55 1yic n ALA 43 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 1yic n ALA 43 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 0.56 0.00 0.00 1.02 -1.26 -4.94 120.64 116.02 1yic n GLU 44 Ca 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 1yic n GLU 44 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 2.16 1.95 3.76 0.62 0.00 -1.26 -5.01 105.19 107.42 1yic n GLY 45 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 2.97 -0.06 1.61 5.04 -1.26 -5.05 117.35 118.60 1yic s TYR 46 Ca 0.00 -0.14 -0.14 0.00 -2.44 0.00 0.00 57.07 54.35 1yic s TYR 46 Cb 0.00 -1.34 -0.30 0.00 0.35 0.00 0.00 41.96 40.67 1yic s TYR 46 CO 0.00 0.55 0.67 0.77 -1.34 0.00 0.00 175.55 176.20 1yic h SER 47 N 1.67 0.54 -3.38 4.32 0.02 -2.01 -3.50 113.55 111.22 1yic h SER 47 Ca -0.47 -0.91 0.36 0.00 -0.84 0.00 0.00 61.79 59.93 1yic h SER 47 Cb 1.24 -0.18 -0.11 0.00 0.14 0.00 0.00 62.40 63.50 1yic h SER 47 CO 0.61 1.69 -0.61 -1.22 -1.14 0.00 0.00 176.83 176.16 1yic n TYR 48 N -3.77 -3.45 -4.66 3.45 4.01 -1.26 -4.90 117.16 106.59 1yic n TYR 48 Ca -0.23 1.75 -0.33 0.00 -0.16 0.00 0.00 57.90 58.92 1yic n TYR 48 Cb 0.99 -3.13 -0.12 0.00 -0.31 0.00 0.00 39.34 36.77 1yic n TYR 48 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1yic s THR 49 N -2.49 3.49 0.22 -0.72 -4.23 -1.26 -5.03 115.64 105.63 1yic s THR 49 Ca 0.00 -0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 59.96 1yic s THR 49 Cb 0.00 -2.45 0.33 0.00 1.34 0.00 0.00 72.50 71.72 1yic s THR 49 CO 0.00 0.56 1.18 0.47 -0.54 0.00 0.00 174.62 176.29 1yic n ASP 50 N 2.79 -0.17 -0.24 3.99 9.92 -1.26 -0.19 116.55 131.38 1yic n ASP 50 Ca -0.18 1.29 -0.05 0.00 -0.53 0.00 0.00 54.79 55.33 1yic n ASP 50 Cb 0.53 -0.43 0.01 0.00 -0.64 0.00 0.00 41.12 40.58 1yic n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yic h ALA 51 N 1.51 -0.02 0.11 2.24 0.00 -1.87 0.21 119.26 121.44 1yic h ALA 51 Ca 0.41 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 1yic h ALA 51 Cb 0.77 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1yic h ALA 51 CO -0.74 -0.68 -0.05 -0.97 0.00 0.00 0.00 179.25 176.81 1yic h ASN 52 N -0.13 -0.13 -0.19 0.00 -1.24 -0.87 0.27 115.58 113.28 1yic h ASN 52 Ca 0.25 -0.27 0.05 0.00 0.71 0.00 0.00 56.30 57.05 1yic h ASN 52 Cb 0.56 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.58 1yic h ASN 52 CO -0.75 0.21 -0.23 0.40 -1.29 0.00 0.00 177.43 175.77 1yic h ILE 53 N -0.48 0.42 -0.64 2.57 2.04 -1.25 -1.87 117.51 118.30 1yic h ILE 53 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1yic h ILE 53 Cb 0.39 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1yic h ILE 53 CO 0.03 0.00 0.29 0.50 0.00 0.00 0.00 178.15 178.97 1yic h LYS 54 N -0.26 0.92 -0.54 2.37 3.11 -0.57 -1.94 116.57 119.66 1yic h LYS 54 Ca 0.12 -0.13 0.11 0.00 -2.81 0.00 0.00 60.65 57.94 1yic h LYS 54 Cb 0.45 -0.17 -0.09 0.00 -1.00 0.00 0.00 32.23 31.42 1yic h LYS 54 CO -0.35 0.72 0.02 -0.22 -2.81 0.00 0.00 179.45 176.81 1yic h LYS 55 N 0.91 0.13 -4.35 1.90 1.63 -0.12 -3.46 116.57 113.21 1yic h LYS 55 Ca 0.22 -0.01 -0.35 0.00 -0.85 0.00 0.00 60.65 59.66 1yic h LYS 55 Cb 0.12 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1yic h LYS 55 CO -0.03 0.09 -0.49 -1.71 -3.45 0.00 0.00 179.45 173.86 1yic n ASN 56 N -5.23 -4.73 -4.69 4.20 2.85 -0.73 -4.90 115.26 102.04 1yic n ASN 56 Ca 0.07 -0.13 -0.42 0.00 -0.11 0.00 0.00 54.58 53.98 1yic n ASN 56 Cb 0.30 -3.91 -0.03 0.00 1.24 0.00 0.00 39.78 37.38 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1yic s VAL 57 N -2.92 4.12 0.02 3.44 1.01 -1.26 -4.59 120.40 120.23 1yic s VAL 57 Ca 0.19 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1yic s VAL 57 Cb -0.10 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1yic s VAL 57 CO 0.24 0.01 1.33 -0.22 0.00 0.00 0.00 175.10 176.46 1yic s LEU 58 N 2.16 4.33 -0.27 3.92 2.96 -1.26 -0.52 118.68 130.00 1yic s LEU 58 Ca 0.58 2.08 -0.26 0.00 -0.22 0.00 0.00 54.13 56.31 1yic s LEU 58 Cb -0.26 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1yic s LEU 58 CO 0.23 -0.64 0.90 0.26 -1.32 0.00 0.00 176.35 175.78 1yic s TRP 59 N 1.89 3.27 0.02 5.38 0.52 -0.05 -4.77 118.94 125.21 1yic s TRP 59 Ca 0.62 1.13 -0.00 0.00 0.02 0.00 0.00 56.10 57.87 1yic s TRP 59 Cb -0.31 -3.23 -0.00 0.00 -1.15 0.00 0.00 33.47 28.78 1yic s TRP 59 CO 0.27 -0.51 -0.00 -3.47 0.02 0.00 0.00 176.95 173.26 1yic n ASP 60 N 6.24 0.30 0.00 2.95 2.03 -1.26 -0.47 116.55 126.34 1yic n ASP 60 Ca 0.07 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1yic n ASP 60 Cb 0.47 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1yic n ASP 60 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1yic n GLU 61 N -2.77 0.00 -0.12 -0.67 1.02 -1.26 -4.79 120.64 112.04 1yic n GLU 61 Ca -0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1yic n GLU 61 Cb 0.01 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 31.58 1yic n GLU 61 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1yic h ASN 62 N 0.00 0.79 0.02 1.62 -0.73 -1.97 0.01 115.58 115.31 1yic h ASN 62 Ca 0.00 -0.19 -0.06 0.00 1.87 0.00 0.00 56.30 57.92 1yic h ASN 62 Cb 0.00 -0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.39 1yic h ASN 62 CO 0.00 0.84 -0.25 0.78 -0.37 0.00 0.00 177.43 178.43 1yic h ASN 63 N 0.77 0.19 -0.86 1.15 2.35 -1.94 -3.30 115.58 113.94 1yic h ASN 63 Ca 0.15 -0.85 0.17 0.00 -0.55 0.00 0.00 56.30 55.22 1yic h ASN 63 Cb 0.44 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.64 1yic h ASN 63 CO 0.02 1.02 0.42 -0.03 -1.65 0.00 0.00 177.43 177.21 1yic h MET 64 N -0.61 0.54 -0.03 0.81 1.85 -1.79 -1.53 114.93 114.16 1yic h MET 64 Ca -0.04 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.03 1yic h MET 64 Cb 1.07 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.96 1yic h MET 64 CO 0.05 0.36 -0.18 0.66 -0.40 0.00 0.00 176.91 177.40 1yic h SER 65 N 0.55 -0.56 -0.97 1.39 4.64 -1.07 0.17 113.55 117.71 1yic h SER 65 Ca 0.49 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.91 1yic h SER 65 Cb 0.78 0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 63.03 1yic h SER 65 CO -0.41 -0.16 0.63 -0.33 -0.87 0.00 0.00 176.83 175.69 1yic h GLU 66 N -0.20 1.19 -0.21 4.77 4.39 -1.63 0.26 114.58 123.15 1yic h GLU 66 Ca 0.01 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.69 1yic h GLU 66 Cb 0.22 -0.27 -0.07 0.00 -0.10 0.00 0.00 28.75 28.54 1yic h GLU 66 CO -0.14 0.79 -0.28 -0.92 -1.16 0.00 0.00 179.01 177.30 1yic h TYR 67 N 1.23 -0.75 0.00 4.33 3.20 -0.98 -1.61 116.97 122.38 1yic h TYR 67 Ca 0.38 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.20 1yic h TYR 67 Cb -0.00 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1yic h TYR 67 CO -0.01 -0.35 -0.44 -0.07 -1.64 0.00 0.00 178.16 175.65 1yic h LEU 68 N -0.30 0.00 -0.86 2.82 3.38 0.90 0.24 115.31 121.50 1yic h LEU 68 Ca 0.12 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1yic h LEU 68 Cb 0.50 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1yic h LEU 68 CO -0.39 0.44 0.51 0.71 0.09 0.00 0.00 178.44 179.80 1yic h THR 69 N 0.00 0.95 -0.78 0.22 1.35 -0.17 0.22 112.91 114.70 1yic h THR 69 Ca -0.00 -0.30 -0.06 0.00 -0.55 0.00 0.00 66.41 65.50 1yic h THR 69 Cb 0.97 0.01 -0.17 0.00 -1.73 0.00 0.00 68.15 67.22 1yic h THR 69 CO 0.06 0.16 -0.37 0.21 -0.25 0.00 0.00 175.52 175.32 1yic s ASN 70 N -5.67 -1.17 0.00 5.36 3.84 -0.64 -3.58 114.94 113.08 1yic s ASN 70 Ca -0.12 -0.98 0.00 0.00 0.21 0.00 0.00 52.86 51.97 1yic s ASN 70 Cb 0.19 1.51 0.00 0.00 -0.55 0.00 0.00 41.25 42.41 1yic s ASN 70 CO 0.79 -0.09 0.74 -0.81 -2.79 0.00 0.00 177.10 174.94 1yic n PRO 71 N 3.55 0.67 0.00 0.43 -0.04 0.78 -1.85 135.00 138.55 1yic n PRO 71 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1yic n PRO 71 Cb 0.59 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.76 0.00 -0.26 0.54 4.81 -1.26 -0.26 118.16 122.48 1yic n LYS 73 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1yic n LYS 73 Cb 0.34 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.52 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 0.75 -3.24 5.64 5.03 -1.71 -3.32 116.97 120.12 1yic h TYR 74 Ca 0.00 0.03 -0.63 0.00 2.58 0.00 0.00 58.73 60.71 1yic h TYR 74 Cb 0.00 -0.22 -0.41 0.00 1.55 0.00 0.00 36.73 37.65 1yic h TYR 74 CO 0.00 0.32 -0.64 0.42 -1.32 0.00 0.00 178.16 176.94 1yic s ILE 75 N -6.06 2.41 -0.89 1.81 1.01 0.63 -5.05 121.20 115.07 1yic s ILE 75 Ca -0.13 -3.38 -0.25 0.00 0.00 0.00 0.00 60.65 56.90 1yic s ILE 75 Cb 0.18 -2.66 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 1yic s ILE 75 CO 0.77 -0.87 2.00 -2.16 0.00 0.00 0.00 174.94 174.69 1yic s PRO 76 N -0.42 2.44 0.00 2.79 0.04 -1.25 -0.81 135.00 137.78 1yic s PRO 76 Ca 0.19 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1yic s PRO 76 Cb -0.21 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1yic s PRO 76 CO -0.04 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 173.90 1yic n GLY 77 N 6.84 0.13 3.75 0.56 0.00 -1.26 -4.82 105.19 110.39 1yic n GLY 77 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 1yic n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yic s THR 78 N -0.97 2.25 -0.49 2.61 -1.32 0.01 -4.74 115.64 112.99 1yic s THR 78 Ca 0.00 0.18 -0.01 0.00 -1.21 0.00 0.00 61.69 60.65 1yic s THR 78 Cb 0.00 -3.09 0.36 0.00 -1.51 0.00 0.00 72.50 68.27 1yic s THR 78 CO 0.00 -0.01 1.99 0.29 -2.21 0.00 0.00 174.62 174.68 1yic n LYS 79 N -1.15 2.25 -1.90 7.08 5.02 -1.26 -4.75 118.16 123.45 1yic n LYS 79 Ca 0.11 -2.48 -0.27 0.00 -2.02 0.00 0.00 58.31 53.65 1yic n LYS 79 Cb 0.46 -1.97 -0.07 0.00 -0.02 0.00 0.00 35.03 33.43 1yic n LYS 79 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1yic n MET 80 N -0.39 1.30 -0.52 1.97 2.81 -1.26 -4.75 117.12 116.28 1yic n MET 80 Ca 0.48 -2.27 -0.01 0.00 -1.81 0.00 0.00 57.70 54.08 1yic n MET 80 Cb 0.71 -3.71 -0.02 0.00 -0.71 0.00 0.00 33.22 29.49 1yic n MET 80 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1yic n ALA 81 N 14.96 4.06 -1.17 3.04 0.00 -1.26 -4.64 120.51 135.50 1yic n ALA 81 Ca 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1yic n ALA 81 Cb 0.46 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 1.67 0.00 0.00 0.00 7.35 -1.26 -5.06 117.46 120.16 1yic n PHE 82 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1yic n PHE 82 Cb 0.51 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.34 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 3.13 1.10 0.00 7.13 0.00 -1.26 -5.16 105.19 110.14 1yic n GLY 83 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.35 3.44 -0.02 0.00 -1.26 -4.88 105.19 103.82 1yic n GLY 84 Ca 0.00 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.45 3.23 -0.21 0.99 1.43 0.77 -4.95 118.68 119.49 1yic s LEU 85 Ca 0.00 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1yic s LEU 85 Cb 0.00 -1.82 -0.10 0.00 0.03 0.00 0.00 46.19 44.30 1yic s LEU 85 CO 0.00 0.06 -0.25 2.29 0.23 0.00 0.00 176.35 178.68 1yic n LYS 86 N 4.27 0.46 -1.55 1.70 2.85 -1.26 -4.40 118.16 120.22 1yic n LYS 86 Ca -0.17 0.18 -0.38 0.00 -1.05 0.00 0.00 58.31 56.89 1yic n LYS 86 Cb 0.52 -1.28 -0.04 0.00 -0.65 0.00 0.00 35.03 33.57 1yic n LYS 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1yic n LYS 87 N -3.77 1.11 -0.29 -1.58 4.01 -1.26 -4.82 118.16 111.55 1yic n LYS 87 Ca -0.40 0.07 0.12 0.00 -0.51 0.00 0.00 58.31 57.59 1yic n LYS 87 Cb 0.81 -3.29 0.29 0.00 -0.51 0.00 0.00 35.03 32.33 1yic n LYS 87 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1yic h GLU 88 N 18.45 0.26 -0.22 1.97 -0.00 -2.00 0.21 114.58 133.25 1yic h GLU 88 Ca -0.25 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.36 59.05 1yic h GLU 88 Cb 1.27 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 29.95 1yic h GLU 88 CO 1.14 0.17 -0.07 -0.22 -0.00 0.00 0.00 179.01 180.04 1yic h LYS 89 N 0.27 0.34 0.10 1.06 3.64 -1.95 -2.23 116.57 117.80 1yic h LYS 89 Ca 0.54 -0.07 -0.28 0.00 -1.27 0.00 0.00 60.65 59.57 1yic h LYS 89 Cb 1.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1yic h LYS 89 CO -0.60 0.42 -1.36 -0.44 -2.27 0.00 0.00 179.45 175.20 1yic h ASP 90 N 0.33 0.33 -0.29 4.20 3.32 -1.06 -3.25 116.42 120.01 1yic h ASP 90 Ca 0.07 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.78 1yic h ASP 90 Cb 0.33 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 1yic h ASP 90 CO 0.01 1.33 -0.16 0.03 -1.72 0.00 0.00 179.24 178.74 1yic h ARG 91 N 0.06 -0.12 -1.92 3.56 3.08 -0.74 0.67 114.38 118.97 1yic h ARG 91 Ca -0.17 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1yic h ARG 91 Cb 1.97 0.03 0.00 0.00 0.08 0.00 0.00 29.97 32.04 1yic h ARG 91 CO 0.17 -0.08 0.00 0.09 -1.07 0.00 0.00 179.97 179.08 1yic n ASN 92 N -5.33 3.51 0.05 7.04 3.02 -0.87 -3.04 115.26 119.64 1yic n ASN 92 Ca 0.00 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1yic n ASN 92 Cb 0.24 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1yic n ASN 92 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1yic n ASP 93 N 1.53 -0.67 0.19 6.41 8.00 -0.76 -1.12 116.55 130.13 1yic n ASP 93 Ca 0.00 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 1yic n ASP 93 Cb 0.35 0.86 -0.08 0.00 -0.02 0.00 0.00 41.12 42.23 1yic n ASP 93 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1yic h LEU 94 N 0.00 -1.14 -1.03 0.64 5.85 -0.81 -1.75 115.31 117.07 1yic h LEU 94 Ca 0.00 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.97 1yic h LEU 94 Cb 0.00 0.39 -0.09 0.00 0.37 0.00 0.00 40.66 41.32 1yic h LEU 94 CO 0.00 -0.50 0.62 0.40 -0.34 0.00 0.00 178.44 178.62 1yic h ILE 95 N -0.74 0.82 -0.20 4.05 5.03 -1.81 -0.03 117.51 124.63 1yic h ILE 95 Ca -0.04 -0.30 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 1yic h ILE 95 Cb 0.66 -0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 34.31 1yic h ILE 95 CO -0.10 0.16 0.09 0.71 -0.68 0.00 0.00 178.15 178.33 1yic h THR 96 N 0.88 1.14 -0.01 -0.27 1.35 -1.75 -0.27 112.91 113.97 1yic h THR 96 Ca 0.53 -0.40 0.03 0.00 -0.55 0.00 0.00 66.41 66.02 1yic h THR 96 Cb 0.69 1.04 -0.04 0.00 -1.73 0.00 0.00 68.15 68.11 1yic h THR 96 CO -0.31 0.13 -0.22 0.22 -0.25 0.00 0.00 175.52 175.09 1yic h TYR 97 N 0.19 -0.59 -0.84 4.73 3.20 -0.33 -1.07 116.97 122.25 1yic h TYR 97 Ca 0.07 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.10 1yic h TYR 97 Cb 0.13 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 1yic h TYR 97 CO -0.02 -0.31 0.42 -0.07 -1.64 0.00 0.00 178.16 176.54 1yic h LEU 98 N -0.35 0.50 0.45 2.82 3.38 -0.74 0.18 115.31 121.56 1yic h LEU 98 Ca 0.06 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1yic h LEU 98 Cb 0.43 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1yic h LEU 98 CO -0.21 0.21 -0.46 0.50 0.09 0.00 0.00 178.44 178.57 1yic h LYS 99 N 0.60 -0.88 -0.70 1.13 1.63 -0.25 -2.85 116.57 115.25 1yic h LYS 99 Ca 0.46 0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.42 1yic h LYS 99 Cb 0.65 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 32.40 1yic h LYS 99 CO -0.37 -0.59 0.33 -0.22 -3.45 0.00 0.00 179.45 175.15 1yic h LYS 100 N -0.91 0.53 -0.74 1.90 3.64 0.05 0.72 116.57 121.75 1yic h LYS 100 Ca -0.06 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.46 1yic h LYS 100 Cb 0.80 -0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 32.37 1yic h LYS 100 CO -0.07 0.35 -0.03 0.00 -2.27 0.00 0.00 179.45 177.43 1yic h ALA 101 N 1.45 0.71 -0.05 5.00 0.00 -0.54 -2.13 119.26 123.71 1yic h ALA 101 Ca 0.36 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1yic h ALA 101 Cb 0.42 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1yic h ALA 101 CO -0.30 -0.42 0.00 0.45 0.00 0.00 0.00 179.25 178.98 1yic n SER 102 N -5.37 2.33 0.00 0.00 2.88 -0.77 -5.02 113.62 107.67 1yic n SER 102 Ca 0.13 -1.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 1yic n SER 102 Cb 0.45 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1yic n SER 102 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02