#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 0.00 0.00 1.09 -0.58 -1.26 -4.63 120.64 115.27 1yic n GLU -4 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1yic n GLU -4 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1yic n GLU -4 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1yic n PHE -3 N 0.00 0.00 -0.06 -0.32 -1.74 -1.26 -4.94 117.46 109.13 1yic n PHE -3 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 1yic n PHE -3 Cb 0.00 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 40.97 1yic n PHE -3 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 1yic h LYS -2 N 0.00 0.32 -4.66 3.97 6.56 -1.99 -3.49 116.57 117.29 1yic h LYS -2 Ca 0.00 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1yic h LYS -2 Cb 0.00 -0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 31.51 1yic h LYS -2 CO 0.00 0.22 -1.24 0.00 -2.06 0.00 0.00 179.45 176.38 1yic n ALA -1 N -2.16 -3.03 -2.00 3.86 0.00 -1.26 -4.84 120.51 111.08 1yic n ALA -1 Ca -0.02 1.52 0.00 0.00 0.00 0.00 0.00 53.44 54.93 1yic n ALA -1 Cb 0.03 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.33 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 1.60 2.44 3.55 0.00 0.00 -1.26 -5.06 105.19 106.46 1yic n GLY 1 Ca -0.23 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 1.00 -0.40 0.58 1.61 0.01 -1.26 -5.03 113.70 110.20 1yic s SER 2 Ca 0.00 0.33 0.27 0.00 1.31 0.00 0.00 55.95 57.86 1yic s SER 2 Cb 0.00 0.35 1.59 0.00 0.21 0.00 0.00 66.02 68.17 1yic s SER 2 CO 0.00 -0.45 2.08 0.00 0.41 0.00 0.00 173.24 175.28 1yic h ALA 3 N 2.45 1.92 -1.34 1.44 0.00 -1.81 -3.39 119.26 118.54 1yic h ALA 3 Ca -0.20 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.05 1yic h ALA 3 Cb 1.18 0.02 0.11 0.00 0.00 0.00 0.00 17.79 19.10 1yic h ALA 3 CO 0.32 -0.34 -0.28 1.63 0.00 0.00 0.00 179.25 180.57 1yic n LYS 4 N -3.92 0.47 0.00 0.00 4.76 -1.26 -0.62 118.16 117.58 1yic n LYS 4 Ca 0.03 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1yic n LYS 4 Cb 0.36 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1yic n LYS 4 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1yic n LYS 5 N 0.93 0.00 -0.11 1.97 5.02 -1.26 -4.59 118.16 120.13 1yic n LYS 5 Ca 0.15 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.39 1yic n LYS 5 Cb 0.27 -0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.30 1yic n LYS 5 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1yic h GLY 6 N 0.00 0.41 0.25 0.72 0.00 -1.37 0.21 103.07 103.29 1yic h GLY 6 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1yic h GLY 6 CO 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 176.54 176.16 1yic h ALA 7 N 1.29 -0.48 -0.38 3.60 0.00 -1.09 0.92 119.26 123.11 1yic h ALA 7 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1yic h ALA 7 Cb 0.22 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1yic h ALA 7 CO -0.25 -0.85 0.12 1.79 0.00 0.00 0.00 179.25 180.06 1yic h THR 8 N -0.48 1.21 -0.39 0.00 1.35 -1.67 0.23 112.91 113.17 1yic h THR 8 Ca 0.07 -0.69 0.04 0.00 -0.55 0.00 0.00 66.41 65.27 1yic h THR 8 Cb 0.57 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 67.88 1yic h THR 8 CO -0.29 0.24 -0.31 -0.07 -0.25 0.00 0.00 175.52 174.84 1yic h LEU 9 N 0.47 -1.09 -0.55 3.87 -0.00 -0.38 0.22 115.31 117.85 1yic h LEU 9 Ca 0.12 0.16 0.11 0.00 -0.00 0.00 0.00 57.88 58.27 1yic h LEU 9 Cb 0.25 0.47 -0.09 0.00 -0.00 0.00 0.00 40.66 41.29 1yic h LEU 9 CO -0.00 -0.17 0.05 0.15 -0.00 0.00 0.00 178.44 178.47 1yic h PHE 10 N -0.10 0.06 0.00 1.13 3.04 -0.49 0.59 116.94 121.17 1yic h PHE 10 Ca 0.06 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1yic h PHE 10 Cb 0.27 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1yic h PHE 10 CO -0.84 -0.09 0.00 0.87 -2.02 0.00 0.00 178.31 176.23 1yic h LYS 11 N 0.17 0.00 0.00 1.11 1.79 0.76 0.30 116.57 120.70 1yic h LYS 11 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1yic h LYS 11 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1yic h LYS 11 CO -0.43 0.00 0.00 0.25 -1.08 0.00 0.00 179.45 178.19 1yic n THR 12 N -2.55 0.86 0.03 -0.16 -2.24 0.60 -4.62 114.28 106.19 1yic n THR 12 Ca -0.01 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 1yic n THR 12 Cb 0.13 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.43 0.00 -0.08 -0.78 5.12 0.18 -4.95 116.66 115.72 1yic n ARG 13 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1yic n ARG 13 Cb 0.23 -0.07 -0.09 0.00 -1.16 0.00 0.00 32.46 31.37 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 -1.00 0.00 -1.00 0.00 5.85 -1.11 0.51 115.31 118.55 1yic h LEU 15 Ca -0.12 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1yic h LEU 15 Cb 0.89 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 1yic h LEU 15 CO -0.07 0.00 0.65 1.56 -0.34 0.00 0.00 178.44 180.23 1yic h GLN 16 N 0.00 1.14 0.00 1.25 1.08 -1.78 -3.29 115.11 113.51 1yic h GLN 16 Ca 0.07 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yic h GLN 16 Cb 1.00 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1yic h GLN 16 CO -0.00 0.76 0.00 0.00 -0.95 0.00 0.00 178.83 178.64 1yic n HIS 18 N -2.21 -3.37 0.00 0.00 8.25 0.15 -4.12 115.22 113.92 1yic n HIS 18 Ca 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 1yic n HIS 18 Cb 0.00 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.55 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 -3.75 0.00 -1.99 1.59 -2.24 -1.26 -4.17 114.28 102.45 1yic n THR 19 Ca 0.07 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.67 1yic n THR 19 Cb 0.29 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.88 -0.45 1.98 2.28 3.14 -1.26 -4.86 118.33 117.28 1yic n VAL 20 Ca 0.00 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.51 1yic n VAL 20 Cb 0.00 -2.15 0.80 0.00 -1.06 0.00 0.00 33.84 31.43 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 -2.58 0.99 -1.03 1.45 1.02 -1.26 -4.71 120.64 114.51 1yic n GLU 21 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1yic n GLU 21 Cb 0.63 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1yic n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1yic n LYS 22 N -0.92 0.00 -2.28 3.49 0.00 -1.26 -4.66 118.16 112.53 1yic n LYS 22 Ca 0.20 0.34 -0.14 0.00 0.00 0.00 0.00 58.31 58.72 1yic n LYS 22 Cb 0.09 -0.69 -0.01 0.00 0.00 0.00 0.00 35.03 34.43 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 0.25 -0.20 3.49 3.14 0.00 -1.26 -5.02 105.19 105.59 1yic n GLY 23 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.39 1.52 0.00 -0.02 0.00 -1.26 -4.85 107.32 100.31 1yic s GLY 24 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.31 1yic s GLY 24 CO 0.01 0.37 0.43 -1.55 0.00 0.00 0.00 173.10 172.36 1yic n PRO 25 N -4.96 0.49 0.00 2.90 -0.04 -1.26 -4.65 135.00 127.48 1yic n PRO 25 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1yic n PRO 25 Cb 0.57 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.31 0.00 -1.83 0.54 8.25 -1.26 -4.86 115.22 115.75 1yic n HIS 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1yic n HIS 26 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 0.00 -3.12 0.00 -0.41 5.02 -1.26 -3.98 118.16 114.42 1yic n LYS 27 Ca 0.00 2.20 0.00 0.00 -2.02 0.00 0.00 58.31 58.49 1yic n LYS 27 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 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 1.63 0.00 -2.80 -0.18 0.31 -1.26 -3.78 118.33 112.25 1yic n VAL 28 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1yic n VAL 28 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 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 1.79 0.30 2.92 0.00 -1.26 -5.07 107.32 106.00 1yic s GLY 29 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 42.82 1yic s GLY 29 CO 0.00 -1.36 0.66 2.56 0.00 0.00 0.00 173.10 174.96 1yic s PRO 30 N -4.81 3.85 -0.01 2.90 0.04 -1.26 -4.39 135.00 131.33 1yic s PRO 30 Ca 0.62 0.42 -0.38 0.00 0.04 0.00 0.00 61.00 61.70 1yic s PRO 30 Cb -0.07 -2.52 -0.16 0.00 0.04 0.00 0.00 34.50 31.78 1yic s PRO 30 CO 0.40 0.18 1.45 0.09 0.04 0.00 0.00 177.00 179.16 1yic n ASN 31 N -0.52 1.86 -2.11 6.66 3.02 -1.26 -4.67 115.26 118.23 1yic n ASN 31 Ca 0.02 1.11 -0.16 0.00 -0.03 0.00 0.00 54.58 55.52 1yic n ASN 31 Cb 0.53 -1.18 -0.14 0.00 -0.61 0.00 0.00 39.78 38.38 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 3.28 5.55 -4.55 3.41 4.77 -1.26 -4.67 117.00 123.52 1yic n LEU 32 Ca 0.20 -3.39 -0.30 0.00 -0.03 0.00 0.00 56.01 52.50 1yic n LEU 32 Cb 0.18 -1.37 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 1yic n LEU 32 CO 0.67 1.70 1.82 0.00 -1.33 0.00 0.00 177.39 180.25 1yic n HIS 33 N 2.09 1.30 -3.41 -1.77 1.44 -1.26 -0.45 115.22 113.15 1yic n HIS 33 Ca 0.44 0.09 -0.25 0.00 -2.01 0.00 0.00 57.72 55.99 1yic n HIS 33 Cb 0.82 -2.59 0.02 0.00 0.12 0.00 0.00 29.99 28.37 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 6.24 -0.51 0.30 -1.39 0.00 -1.26 -4.85 105.19 103.72 1yic n GLY 34 Ca 0.42 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.55 0.68 -1.04 -0.61 6.09 -1.12 -3.35 117.51 116.62 1yic h ILE 35 Ca -0.51 -0.18 -0.31 0.00 -1.37 0.00 0.00 64.86 62.48 1yic h ILE 35 Cb 1.34 0.10 -0.00 0.00 0.47 0.00 0.00 36.82 38.73 1yic h ILE 35 CO 0.58 0.10 1.14 0.49 -3.07 0.00 0.00 178.15 177.39 1yic n PHE 36 N -4.93 1.24 0.00 2.19 3.72 -1.26 -0.09 117.46 118.32 1yic n PHE 36 Ca 0.16 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1yic n PHE 36 Cb 0.45 -2.54 0.00 0.00 -0.94 0.00 0.00 39.48 36.45 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 6.28 1.88 4.01 1.37 0.00 0.49 -4.94 105.19 114.28 1yic n GLY 37 Ca 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 2.73 0.15 1.61 0.52 0.87 -4.90 118.95 119.94 1yic s ARG 38 Ca 0.00 -1.22 0.06 0.00 -0.52 0.00 0.00 55.73 54.05 1yic s ARG 38 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 1yic s ARG 38 CO 0.00 -0.39 0.05 -1.01 0.02 0.00 0.00 175.30 173.96 1yic s HIS 39 N -2.44 2.98 -1.08 -0.53 3.76 -1.26 -1.19 115.29 115.52 1yic s HIS 39 Ca 0.56 -0.07 -0.22 0.00 -0.15 0.00 0.00 55.06 55.18 1yic s HIS 39 Cb -0.10 -1.46 -0.00 0.00 1.11 0.00 0.00 32.58 32.14 1yic s HIS 39 CO 0.34 0.51 1.75 -1.54 -0.85 0.00 0.00 174.74 174.96 1yic s SER 40 N -2.86 5.89 0.00 1.40 1.04 0.11 -3.47 113.70 115.81 1yic s SER 40 Ca 0.28 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1yic s SER 40 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1yic s SER 40 CO 0.20 -2.11 0.00 0.61 0.98 0.00 0.00 173.24 172.92 1yic n GLY 41 N 6.32 0.00 0.53 7.32 0.00 -1.26 -3.16 105.19 114.94 1yic n GLY 41 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 0.11 0.00 1.61 1.13 -1.23 -4.99 117.38 114.01 1yic n GLN 42 Ca 0.00 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1yic n GLN 42 Cb 0.00 -0.56 0.00 0.00 0.11 0.00 0.00 30.24 29.79 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 -3.14 0.00 0.00 -1.58 0.00 -1.26 -4.85 120.51 109.68 1yic n ALA 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1yic n ALA 43 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 -2.57 0.00 1.02 -1.26 -4.97 120.64 112.86 1yic n GLU 44 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1yic n GLU 44 Cb 0.00 -0.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.98 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 1.72 3.35 3.66 0.62 0.00 -1.26 -5.11 105.19 108.17 1yic n GLY 45 Ca 0.00 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.46 2.55 -0.37 1.61 5.04 -1.26 -5.06 117.35 116.39 1yic s TYR 46 Ca 0.35 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 1yic s TYR 46 Cb 0.40 -1.70 0.13 0.00 0.35 0.00 0.00 41.96 41.14 1yic s TYR 46 CO -0.03 0.39 0.20 0.45 -1.34 0.00 0.00 175.55 175.22 1yic s SER 47 N -3.76 3.36 1.06 4.32 0.15 -1.26 -5.07 113.70 112.49 1yic s SER 47 Ca 0.37 -2.22 -0.15 0.00 0.70 0.00 0.00 55.95 54.64 1yic s SER 47 Cb 0.04 -0.67 0.11 0.00 -1.71 0.00 0.00 66.02 63.79 1yic s SER 47 CO 0.20 -0.31 0.34 -1.22 1.20 0.00 0.00 173.24 173.45 1yic n TYR 48 N 4.03 -1.27 1.77 3.44 4.02 -1.26 -4.92 117.16 122.98 1yic n TYR 48 Ca 0.08 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 1yic n TYR 48 Cb 0.37 -1.68 0.00 0.00 -0.02 0.00 0.00 39.34 38.01 1yic n TYR 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1yic n THR 49 N -4.21 0.00 0.00 -0.72 -2.24 -1.26 -4.89 114.28 100.96 1yic n THR 49 Ca 0.04 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1yic n THR 49 Cb 0.58 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1yic n THR 49 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1yic n ASP 50 N -0.38 0.00 -0.32 3.42 -0.08 -1.26 -4.64 116.55 113.29 1yic n ASP 50 Ca 0.00 0.00 0.22 0.00 -1.51 0.00 0.00 54.79 53.50 1yic n ASP 50 Cb 0.06 0.00 0.44 0.00 2.34 0.00 0.00 41.12 43.96 1yic n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yic h ALA 51 N 0.00 1.78 -0.03 -1.67 0.00 -1.90 0.30 119.26 117.74 1yic h ALA 51 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1yic h ALA 51 Cb 0.00 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1yic h ALA 51 CO 0.00 -0.63 -0.54 -0.97 0.00 0.00 0.00 179.25 177.11 1yic h ASN 52 N 0.20 0.54 0.52 0.00 -1.24 -1.88 -3.11 115.58 110.61 1yic h ASN 52 Ca 0.71 -0.72 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 1yic h ASN 52 Cb 1.63 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 40.52 1yic h ASN 52 CO -0.68 1.18 -0.32 0.40 -1.29 0.00 0.00 177.43 176.72 1yic h ILE 53 N -0.06 0.00 -0.89 2.57 2.04 -0.93 -3.27 117.51 116.97 1yic h ILE 53 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1yic h ILE 53 Cb 1.23 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1yic h ILE 53 CO 0.11 0.00 0.58 0.50 0.00 0.00 0.00 178.15 179.33 1yic h LYS 54 N -0.79 1.09 -5.01 2.37 3.11 -0.66 -2.77 116.57 113.91 1yic h LYS 54 Ca -0.07 -0.07 -0.66 0.00 -2.81 0.00 0.00 60.65 57.04 1yic h LYS 54 Cb 0.63 -0.25 -0.05 0.00 -1.00 0.00 0.00 32.23 31.56 1yic h LYS 54 CO 0.07 0.72 2.49 1.17 -2.81 0.00 0.00 179.45 181.09 1yic n LYS 55 N -4.52 2.81 -1.56 1.90 4.81 -1.17 -4.91 118.16 115.52 1yic n LYS 55 Ca 0.11 -2.85 -0.13 0.00 -0.87 0.00 0.00 58.31 54.57 1yic n LYS 55 Cb 0.08 -3.39 -0.10 0.00 0.02 0.00 0.00 35.03 31.64 1yic n LYS 55 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yic n ASN 56 N 7.92 1.39 -4.76 3.14 4.13 -1.05 -4.74 115.26 121.29 1yic n ASN 56 Ca 0.50 -2.12 -0.37 0.00 1.68 0.00 0.00 54.58 54.26 1yic n ASN 56 Cb 0.43 -1.68 -0.06 0.00 -1.54 0.00 0.00 39.78 36.92 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1yic s VAL 57 N 16.18 5.19 0.13 2.41 1.01 -1.26 -4.82 120.40 139.23 1yic s VAL 57 Ca 0.85 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 1yic s VAL 57 Cb -0.08 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1yic s VAL 57 CO 0.15 0.43 0.90 -0.22 0.00 0.00 0.00 175.10 176.37 1yic s LEU 58 N 0.00 4.53 -0.20 3.92 2.96 -1.26 0.07 118.68 128.69 1yic s LEU 58 Ca 0.22 1.75 -0.12 0.00 -0.22 0.00 0.00 54.13 55.75 1yic s LEU 58 Cb -0.15 -3.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1yic s LEU 58 CO 0.09 0.02 0.24 0.26 -1.32 0.00 0.00 176.35 175.64 1yic s TRP 59 N -0.36 3.38 0.00 5.38 0.23 -0.34 -4.71 118.94 122.53 1yic s TRP 59 Ca 0.43 0.43 0.00 0.00 -2.03 0.00 0.00 56.10 54.93 1yic s TRP 59 Cb -0.23 -2.32 0.00 0.00 0.03 0.00 0.00 33.47 30.94 1yic s TRP 59 CO 0.29 0.14 0.00 -3.47 0.96 0.00 0.00 176.95 174.86 1yic n ASP 60 N 3.99 0.00 0.02 2.95 2.03 -1.26 -0.38 116.55 123.90 1yic n ASP 60 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1yic n ASP 60 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1yic n ASP 60 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1yic n GLU 61 N -0.64 0.00 -0.17 -0.67 -0.00 -1.26 -4.73 120.64 113.16 1yic n GLU 61 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.16 57.07 1yic n GLU 61 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1yic n GLU 61 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1yic h ASN 62 N 0.00 0.81 -0.05 -1.84 -1.24 -1.97 0.34 115.58 111.63 1yic h ASN 62 Ca 0.00 -0.28 -0.02 0.00 0.71 0.00 0.00 56.30 56.71 1yic h ASN 62 Cb 0.00 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.83 1yic h ASN 62 CO 0.00 0.88 -0.06 -1.13 -1.29 0.00 0.00 177.43 175.83 1yic h ASN 63 N 0.70 0.14 -0.95 1.15 -1.24 -1.92 -3.05 115.58 110.42 1yic h ASN 63 Ca 0.15 -0.51 0.01 0.00 0.71 0.00 0.00 56.30 56.65 1yic h ASN 63 Cb 0.44 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.40 1yic h ASN 63 CO 0.01 0.63 0.61 -0.03 -1.29 0.00 0.00 177.43 177.36 1yic h MET 64 N -0.33 1.26 -0.05 6.67 4.05 -1.77 -1.21 114.93 123.55 1yic h MET 64 Ca 0.01 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1yic h MET 64 Cb 0.59 -0.28 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1yic h MET 64 CO 0.02 0.85 0.01 0.66 0.23 0.00 0.00 176.91 178.67 1yic h SER 65 N 1.29 0.07 -0.55 1.39 4.64 -0.35 0.14 113.55 120.18 1yic h SER 65 Ca 0.34 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1yic h SER 65 Cb -0.12 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1yic h SER 65 CO -0.07 0.27 0.36 1.05 -0.87 0.00 0.00 176.83 177.56 1yic h GLU 66 N -0.14 0.70 0.54 4.77 4.11 -1.47 -0.59 114.58 122.51 1yic h GLU 66 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 1yic h GLU 66 Cb 0.23 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1yic h GLU 66 CO -0.00 0.46 -0.46 -0.92 0.07 0.00 0.00 179.01 178.16 1yic h TYR 67 N 0.72 -1.26 0.00 2.06 3.20 -0.86 -2.81 116.97 118.03 1yic h TYR 67 Ca 0.21 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1yic h TYR 67 Cb -0.05 0.48 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1yic h TYR 67 CO -0.05 -0.63 -0.16 -0.07 -1.64 0.00 0.00 178.16 175.61 1yic h LEU 68 N -0.98 0.00 -1.85 2.82 3.38 -0.64 0.28 115.31 118.31 1yic h LEU 68 Ca -0.07 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1yic h LEU 68 Cb 0.82 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1yic h LEU 68 CO -0.01 0.16 0.41 0.74 0.09 0.00 0.00 178.44 179.83 1yic h THR 69 N 0.00 0.77 -0.42 0.22 2.02 -0.86 0.13 112.91 114.77 1yic h THR 69 Ca -0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1yic h THR 69 Cb 0.33 0.61 -0.15 0.00 -1.74 0.00 0.00 68.15 67.20 1yic h THR 69 CO 0.02 0.03 -0.27 -3.20 0.37 0.00 0.00 175.52 172.47 1yic n ASN 70 N -4.42 -2.23 -0.86 4.18 2.85 0.76 -3.89 115.26 111.65 1yic n ASN 70 Ca 0.11 -1.89 0.00 0.00 -0.11 0.00 0.00 54.58 52.68 1yic n ASN 70 Cb 0.55 1.16 0.00 0.00 1.24 0.00 0.00 39.78 42.73 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 2.50 0.46 0.00 1.20 -0.04 0.05 -0.92 135.00 138.24 1yic n PRO 71 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1yic n PRO 71 Cb 0.62 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.64 0.00 -0.12 0.54 4.81 -1.26 -0.25 118.16 122.52 1yic n LYS 73 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1yic n LYS 73 Cb 0.20 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.23 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 0.60 -3.30 5.64 3.20 -1.36 -3.32 116.97 118.43 1yic h TYR 74 Ca 0.00 -0.08 -0.69 0.00 3.14 0.00 0.00 58.73 61.10 1yic h TYR 74 Cb 0.00 -0.17 -0.36 0.00 1.54 0.00 0.00 36.73 37.74 1yic h TYR 74 CO 0.00 0.62 -0.16 0.42 -1.64 0.00 0.00 178.16 177.40 1yic s ILE 75 N -5.23 4.15 -0.93 1.81 1.01 0.66 -5.03 121.20 117.65 1yic s ILE 75 Ca -0.13 -3.88 -0.24 0.00 0.00 0.00 0.00 60.65 56.39 1yic s ILE 75 Cb 0.09 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 1yic s ILE 75 CO 0.76 -1.07 2.00 -2.16 0.00 0.00 0.00 174.94 174.47 1yic s PRO 76 N -1.31 2.42 0.00 2.79 0.04 -1.25 -1.64 135.00 136.05 1yic s PRO 76 Ca 0.27 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1yic s PRO 76 Cb -0.07 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.41 1yic s PRO 76 CO -0.13 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.72 1yic n GLY 77 N 6.71 0.67 3.62 0.56 0.00 -1.26 -5.00 105.19 110.48 1yic n GLY 77 Ca 0.41 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.99 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 1.70 0.58 2.61 5.66 -0.65 -4.80 114.28 119.38 1yic n THR 78 Ca 0.00 -0.43 0.03 0.00 -3.05 0.00 0.00 64.05 60.61 1yic n THR 78 Cb 0.00 -1.16 0.15 0.00 -1.55 0.00 0.00 70.33 67.77 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 1.01 2.19 -1.80 1.09 0.00 -1.26 -4.75 118.16 114.64 1yic n LYS 79 Ca 0.10 -1.15 -0.21 0.00 -0.00 0.00 0.00 58.31 57.05 1yic n LYS 79 Cb 0.32 -1.58 -0.06 0.00 -0.00 0.00 0.00 35.03 33.71 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1yic s MET 80 N -1.66 2.07 -0.39 -1.58 1.75 -1.26 -4.81 119.30 113.42 1yic s MET 80 Ca 0.20 0.17 -0.06 0.00 -1.25 0.00 0.00 55.69 54.76 1yic s MET 80 Cb 0.14 -4.89 -0.14 0.00 2.84 0.00 0.00 34.83 32.78 1yic s MET 80 CO 0.09 -3.89 3.25 0.00 -0.65 0.00 0.00 175.02 173.81 1yic n ALA 81 N 16.33 6.56 -1.00 4.11 0.00 -1.26 -4.75 120.51 140.50 1yic n ALA 81 Ca 0.43 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 51.38 1yic n ALA 81 Cb 0.45 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 2.13 0.00 0.00 0.00 7.35 -1.26 -5.05 117.46 120.63 1yic n PHE 82 Ca 0.50 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 1yic n PHE 82 Cb 0.70 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.53 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 2.60 0.68 0.00 7.13 0.00 -1.26 -5.16 105.19 109.18 1yic n GLY 83 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.63 0.13 -0.02 0.00 -1.26 -4.88 105.19 99.80 1yic n GLY 84 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.63 0.00 0.00 0.99 4.32 0.45 -4.96 117.00 117.18 1yic n LEU 85 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1yic n LEU 85 Cb 0.00 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1yic n LEU 85 CO 0.00 -0.36 0.00 1.17 -1.22 0.00 0.00 177.39 176.98 1yic n LYS 86 N -2.19 0.00 -0.39 3.23 4.81 -1.25 -4.65 118.16 117.72 1yic n LYS 86 Ca 0.00 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.73 1yic n LYS 86 Cb 0.00 0.00 0.45 0.00 0.02 0.00 0.00 35.03 35.50 1yic n LYS 86 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1yic n LYS 87 N 0.00 -0.00 0.00 1.64 2.85 -1.26 -4.77 118.16 116.62 1yic n LYS 87 Ca 0.00 0.59 0.00 0.00 -1.05 0.00 0.00 58.31 57.85 1yic n LYS 87 Cb 0.00 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 1yic n LYS 87 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1yic n GLU 88 N -3.05 0.00 0.05 -1.58 2.13 -1.26 -4.59 120.64 112.34 1yic n GLU 88 Ca 0.24 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.01 1yic n GLU 88 Cb 1.10 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.78 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 0.00 -0.26 -0.65 5.31 1.63 -1.99 0.14 116.57 120.74 1yic h LYS 89 Ca 0.00 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1yic h LYS 89 Cb 0.00 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 1yic h LYS 89 CO 0.00 -0.17 0.43 -0.44 -3.45 0.00 0.00 179.45 175.82 1yic h ASP 90 N -0.27 0.63 0.66 4.20 3.32 -1.97 -2.43 116.42 120.56 1yic h ASP 90 Ca -0.01 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1yic h ASP 90 Cb 0.26 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1yic h ASP 90 CO -0.08 0.42 -0.32 -0.09 -1.72 0.00 0.00 179.24 177.46 1yic h ARG 91 N 0.72 -0.86 -0.57 3.56 2.43 -1.77 0.23 114.38 118.12 1yic h ARG 91 Ca 0.27 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.62 1yic h ARG 91 Cb 0.16 0.20 -0.10 0.00 -0.42 0.00 0.00 29.97 29.81 1yic h ARG 91 CO -0.08 -0.54 -0.03 -2.95 -1.51 0.00 0.00 179.97 174.86 1yic h ASN 92 N -1.15 -0.31 -0.61 -3.80 7.08 -0.68 0.93 115.58 117.04 1yic h ASN 92 Ca -0.09 0.15 0.07 0.00 -3.08 0.00 0.00 56.30 53.34 1yic h ASN 92 Cb 0.72 0.27 -0.06 0.00 -2.08 0.00 0.00 38.32 37.17 1yic h ASN 92 CO 0.15 -0.12 0.29 0.44 -2.08 0.00 0.00 177.43 176.12 1yic h ASP 93 N 0.09 0.39 0.14 6.14 5.19 -1.29 0.20 116.42 127.28 1yic h ASP 93 Ca 0.29 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1yic h ASP 93 Cb 0.46 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1yic h ASP 93 CO -0.51 0.25 -0.09 0.25 -3.12 0.00 0.00 179.24 176.03 1yic h LEU 94 N 0.54 -0.21 -0.56 1.55 5.85 0.12 -1.09 115.31 121.50 1yic h LEU 94 Ca 0.29 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.09 1yic h LEU 94 Cb 0.25 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1yic h LEU 94 CO -0.22 -0.14 0.25 0.40 -0.34 0.00 0.00 178.44 178.38 1yic h ILE 95 N -0.22 0.87 -0.81 4.05 5.03 0.12 0.03 117.51 126.58 1yic h ILE 95 Ca -0.01 -0.16 0.02 0.00 -0.12 0.00 0.00 64.86 64.59 1yic h ILE 95 Cb 0.19 0.36 -0.04 0.00 -3.03 0.00 0.00 36.82 34.29 1yic h ILE 95 CO 0.02 0.08 0.53 0.71 -0.68 0.00 0.00 178.15 178.81 1yic h THR 96 N 0.46 1.16 0.82 -0.27 1.35 -0.38 0.22 112.91 116.27 1yic h THR 96 Ca 0.27 -0.36 -0.04 0.00 -0.55 0.00 0.00 66.41 65.73 1yic h THR 96 Cb 0.25 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.70 1yic h THR 96 CO -0.23 0.19 -0.44 0.22 -0.25 0.00 0.00 175.52 175.01 1yic h TYR 97 N 1.05 -1.15 -0.62 4.73 3.20 -0.55 -2.94 116.97 120.69 1yic h TYR 97 Ca 0.31 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.25 1yic h TYR 97 Cb -0.05 0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1yic h TYR 97 CO -0.02 -0.68 0.41 -0.07 -1.64 0.00 0.00 178.16 176.16 1yic h LEU 98 N -1.16 0.45 -1.09 2.82 3.38 -0.74 0.12 115.31 119.09 1yic h LEU 98 Ca -0.11 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.05 1yic h LEU 98 Cb 0.91 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1yic h LEU 98 CO 0.15 0.28 0.61 0.50 0.09 0.00 0.00 178.44 180.07 1yic h LYS 99 N 0.50 0.72 0.03 1.13 1.63 -0.39 0.18 116.57 120.37 1yic h LYS 99 Ca 0.28 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.95 1yic h LYS 99 Cb 0.45 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1yic h LYS 99 CO -0.08 0.48 -0.44 -0.22 -3.45 0.00 0.00 179.45 175.73 1yic h LYS 100 N 0.74 0.06 -0.83 1.90 3.64 -0.73 -3.19 116.57 118.17 1yic h LYS 100 Ca 0.55 -0.11 0.16 0.00 -1.27 0.00 0.00 60.65 59.99 1yic h LYS 100 Cb 0.89 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 1yic h LYS 100 CO -0.33 1.05 0.55 0.00 -2.27 0.00 0.00 179.45 178.45 1yic h ALA 101 N -0.08 2.08 -0.27 5.00 0.00 -0.64 -1.41 119.26 123.94 1yic h ALA 101 Ca -0.10 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1yic h ALA 101 Cb 1.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1yic h ALA 101 CO -0.01 -0.32 -0.53 0.66 0.00 0.00 0.00 179.25 179.05 1yic h SER 102 N 0.47 0.88 0.00 0.00 4.64 -0.78 -3.47 113.55 115.29 1yic h SER 102 Ca 0.42 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1yic h SER 102 Cb 0.92 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1yic h SER 102 CO -0.16 1.24 0.00 1.21 -0.87 0.00 0.00 176.83 178.25