#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 1.20 0.18 -2.82 2.12 -1.26 -5.08 118.70 113.04 1yic s GLU -4 Ca 0.00 -0.56 -0.23 0.00 0.36 0.00 0.00 54.97 54.54 1yic s GLU -4 Cb 0.00 0.54 -0.08 0.00 0.26 0.00 0.00 34.13 34.85 1yic s GLU -4 CO 0.00 -0.50 0.75 0.12 -0.54 0.00 0.00 175.26 175.08 1yic s PHE -3 N -3.76 3.80 -0.34 5.30 5.36 -1.26 -5.02 117.98 122.05 1yic s PHE -3 Ca 0.02 1.52 0.16 0.00 -0.96 0.00 0.00 56.93 57.66 1yic s PHE -3 Cb 0.00 -2.70 0.42 0.00 -0.34 0.00 0.00 43.02 40.41 1yic s PHE -3 CO -0.13 0.44 0.89 1.17 -1.46 0.00 0.00 175.22 176.14 1yic n LYS -2 N 1.24 1.18 0.00 10.12 3.00 -1.26 -5.04 118.16 127.41 1yic n LYS -2 Ca -0.05 -3.35 0.00 0.00 -0.00 0.00 0.00 58.31 54.92 1yic n LYS -2 Cb 0.50 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.10 1yic n LYS -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1yic n ALA -1 N 0.03 0.00 0.00 3.14 0.00 -1.26 -4.86 120.51 117.56 1yic n ALA -1 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1yic n ALA -1 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.00 2.28 0.00 0.00 0.00 -1.26 -4.12 105.19 102.08 1yic n GLY 1 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.76 0.00 0.00 1.61 2.88 -1.26 -4.85 113.62 112.75 1yic n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yic n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.00 -2.49 -1.46 0.00 -1.25 -4.69 120.51 110.62 1yic n ALA 3 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1yic n ALA 3 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.45 0.00 0.00 4.81 -1.26 -0.23 118.16 120.03 1yic n LYS 4 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1yic n LYS 4 Cb 0.00 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.41 1yic n LYS 4 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yic n LYS 5 N -2.01 0.00 -0.32 1.64 3.00 -1.26 -5.01 118.16 114.20 1yic n LYS 5 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.44 1yic n LYS 5 Cb 0.27 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.49 1yic n LYS 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yic n GLY 6 N 0.00 -1.37 0.30 3.14 0.00 0.68 -0.01 105.19 107.92 1yic n GLY 6 Ca 0.00 0.92 -0.09 0.00 0.00 0.00 0.00 46.02 46.85 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 1.79 -0.68 -0.71 4.61 0.00 -1.84 0.65 119.26 123.08 1yic h ALA 7 Ca 0.48 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 1yic h ALA 7 Cb 0.87 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1yic h ALA 7 CO -0.88 -0.83 0.26 1.79 0.00 0.00 0.00 179.25 179.59 1yic h THR 8 N -0.33 1.25 -0.72 0.00 1.35 -0.84 -0.10 112.91 113.52 1yic h THR 8 Ca 0.03 -0.81 0.16 0.00 -0.55 0.00 0.00 66.41 65.24 1yic h THR 8 Cb 0.41 0.42 -0.12 0.00 -1.73 0.00 0.00 68.15 67.14 1yic h THR 8 CO -0.32 0.32 0.09 -0.07 -0.25 0.00 0.00 175.52 175.30 1yic h LEU 9 N 1.04 -0.15 -0.44 3.87 -0.00 -0.57 0.42 115.31 119.49 1yic h LEU 9 Ca 0.24 0.16 -0.15 0.00 -0.00 0.00 0.00 57.88 58.13 1yic h LEU 9 Cb 0.24 0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1yic h LEU 9 CO -0.02 -0.10 -0.32 0.15 -0.00 0.00 0.00 178.44 178.15 1yic h PHE 10 N 0.19 1.13 -0.11 1.13 3.04 0.29 0.20 116.94 122.81 1yic h PHE 10 Ca 0.40 -0.31 -0.08 0.00 3.98 0.00 0.00 57.97 61.96 1yic h PHE 10 Cb 0.69 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1yic h PHE 10 CO -0.33 1.14 -0.30 0.87 -2.02 0.00 0.00 178.31 177.67 1yic h LYS 11 N 0.80 0.20 0.00 1.11 1.57 0.75 0.25 116.57 121.25 1yic h LYS 11 Ca 0.08 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 58.54 1yic h LYS 11 Cb 0.91 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 1yic h LYS 11 CO 0.08 0.49 -1.46 0.00 -0.57 0.00 0.00 179.45 177.99 1yic h THR 12 N 0.18 0.97 -1.54 -0.16 1.03 -0.23 -3.42 112.91 109.74 1yic h THR 12 Ca 0.02 -2.72 -0.43 0.00 -0.01 0.00 0.00 66.41 63.28 1yic h THR 12 Cb 0.63 2.45 -0.40 0.00 -1.07 0.00 0.00 68.15 69.76 1yic h THR 12 CO 0.05 0.55 -1.20 0.54 -0.01 0.00 0.00 175.52 175.45 1yic n ARG 13 N -3.09 1.05 0.08 0.00 1.74 0.70 -4.89 116.66 112.25 1yic n ARG 13 Ca -0.11 -3.32 0.00 0.00 -0.77 0.00 0.00 57.85 53.64 1yic n ARG 13 Cb 0.98 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 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 -3.08 0.00 -0.16 0.00 7.94 -0.10 -0.78 117.00 120.82 1yic n LEU 15 Ca 0.00 0.38 -0.10 0.00 -1.11 0.00 0.00 56.01 55.17 1yic n LEU 15 Cb 0.00 -0.38 -0.00 0.00 0.53 0.00 0.00 43.42 43.57 1yic n LEU 15 CO 0.00 -0.38 0.76 1.56 -1.11 0.00 0.00 177.39 178.23 1yic h GLN 16 N 0.00 0.85 0.00 1.96 4.20 -1.80 -3.32 115.11 117.00 1yic h GLN 16 Ca 0.00 -0.30 -0.21 0.00 0.06 0.00 0.00 58.65 58.20 1yic h GLN 16 Cb 0.01 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1yic h GLN 16 CO 0.00 0.93 -2.03 0.00 -0.67 0.00 0.00 178.83 177.06 1yic n HIS 18 N -2.46 -0.33 -3.73 0.00 8.25 -0.20 -0.50 115.22 116.25 1yic n HIS 18 Ca -0.19 -0.86 -0.10 0.00 -0.26 0.00 0.00 57.72 56.30 1yic n HIS 18 Cb 0.86 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.79 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 -1.33 0.03 -0.49 1.59 -4.23 -1.26 -4.28 115.64 105.67 1yic s THR 19 Ca 0.05 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1yic s THR 19 Cb -0.00 -1.55 0.56 0.00 1.34 0.00 0.00 72.50 72.85 1yic s THR 19 CO 0.03 -0.13 1.85 0.55 -0.54 0.00 0.00 174.62 176.38 1yic n VAL 20 N -0.33 3.21 -3.43 2.29 3.14 -1.26 -2.12 118.33 119.83 1yic n VAL 20 Ca -0.10 -2.51 -0.31 0.00 -2.96 0.00 0.00 64.34 58.45 1yic n VAL 20 Cb 0.63 -0.71 -0.05 0.00 -1.06 0.00 0.00 33.84 32.65 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 -3.48 3.76 0.62 1.45 8.01 -1.26 -4.31 118.70 123.48 1yic s GLU 21 Ca 0.57 0.20 0.40 0.00 0.01 0.00 0.00 54.97 56.15 1yic s GLU 21 Cb 0.47 -2.67 2.04 0.00 -4.31 0.00 0.00 34.13 29.66 1yic s GLU 21 CO 0.05 0.32 2.22 0.87 0.01 0.00 0.00 175.26 178.73 1yic h LYS 22 N 2.45 0.00 0.00 1.61 1.79 -1.95 -3.35 116.57 117.12 1yic h LYS 22 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1yic h LYS 22 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1yic h LYS 22 CO 0.69 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 1yic n GLY 23 N -0.68 0.11 0.95 3.86 0.00 -1.26 -5.11 105.19 103.06 1yic n GLY 23 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1yic n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yic n GLY 24 N 3.76 -4.21 2.29 -0.02 0.00 -1.26 -4.68 105.19 101.07 1yic n GLY 24 Ca 0.00 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1yic n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yic n PRO 25 N 0.05 3.57 -0.20 1.61 -0.04 -1.26 -4.81 135.00 133.92 1yic n PRO 25 Ca 0.00 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1yic n PRO 25 Cb 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 3.36 0.00 0.00 0.54 8.25 -1.26 -4.85 115.22 121.25 1yic n HIS 26 Ca 0.74 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1yic n HIS 26 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 0.03 0.00 -0.03 -0.41 5.02 -1.26 -4.75 118.16 116.76 1yic n LYS 27 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1yic n LYS 27 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yic h VAL 28 N 0.00 1.42 -2.18 -0.18 2.07 -1.74 -3.46 116.25 112.18 1yic h VAL 28 Ca 0.00 -1.34 -0.53 0.00 0.82 0.00 0.00 66.70 65.64 1yic h VAL 28 Cb 0.00 2.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 1yic h VAL 28 CO 0.00 0.36 -0.59 -0.83 0.02 0.00 0.00 177.57 176.53 1yic s GLY 29 N -3.38 1.56 0.45 2.17 0.00 0.34 -5.04 107.32 103.42 1yic s GLY 29 Ca -0.16 -1.56 -0.22 0.00 0.00 0.00 0.00 44.72 42.79 1yic s GLY 29 CO 0.70 -1.61 1.03 2.56 0.00 0.00 0.00 173.10 175.78 1yic s PRO 30 N -3.76 3.97 0.39 2.90 0.04 -1.26 -4.50 135.00 132.78 1yic s PRO 30 Ca 0.32 1.38 -0.27 0.00 0.04 0.00 0.00 61.00 62.48 1yic s PRO 30 Cb -0.07 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 1yic s PRO 30 CO 0.22 -0.28 1.40 -0.80 0.04 0.00 0.00 177.00 177.58 1yic s ASN 31 N -1.86 6.35 -0.15 6.66 0.01 -1.26 -4.65 114.94 120.04 1yic s ASN 31 Ca 0.63 2.87 -0.11 0.00 -0.71 0.00 0.00 52.86 55.55 1yic s ASN 31 Cb -0.17 -2.66 -0.04 0.00 0.41 0.00 0.00 41.25 38.79 1yic s ASN 31 CO 0.22 -0.85 -0.21 0.18 -1.51 0.00 0.00 177.10 174.93 1yic n LEU 32 N 0.36 1.82 -1.54 0.60 4.32 -0.90 -4.99 117.00 116.66 1yic n LEU 32 Ca 0.02 0.58 -0.05 0.00 -0.02 0.00 0.00 56.01 56.54 1yic n LEU 32 Cb 0.41 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 1yic n LEU 32 CO 0.60 -0.44 -0.14 0.00 -1.22 0.00 0.00 177.39 176.20 1yic n HIS 33 N -4.57 -0.31 -2.98 -1.77 1.44 -1.26 -1.88 115.22 103.89 1yic n HIS 33 Ca -0.08 0.13 -0.12 0.00 -2.01 0.00 0.00 57.72 55.64 1yic n HIS 33 Cb 0.31 -0.41 0.05 0.00 0.12 0.00 0.00 29.99 30.06 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 0.47 -0.01 0.16 -1.39 0.00 -1.26 -4.94 105.19 98.22 1yic n GLY 34 Ca -0.01 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.34 1.27 -2.38 -0.61 2.10 -1.76 -3.43 117.51 111.36 1yic h ILE 35 Ca -0.35 -0.97 -0.54 0.00 1.08 0.00 0.00 64.86 64.08 1yic h ILE 35 Cb 1.21 1.41 0.03 0.00 -1.09 0.00 0.00 36.82 38.38 1yic h ILE 35 CO 0.32 0.30 1.19 0.49 -1.08 0.00 0.00 178.15 179.37 1yic n PHE 36 N -4.60 2.54 0.00 2.19 3.72 -1.26 -0.99 117.46 119.05 1yic n PHE 36 Ca -0.04 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1yic n PHE 36 Cb 0.27 -2.78 0.00 0.00 -0.94 0.00 0.00 39.48 36.03 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 4.45 2.48 3.90 1.37 0.00 0.70 -4.98 105.19 113.10 1yic n GLY 37 Ca 0.20 0.00 -0.20 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 -0.32 2.69 0.36 1.61 0.52 -0.17 -4.87 118.95 118.77 1yic s ARG 38 Ca 0.00 -1.36 -0.02 0.00 -0.52 0.00 0.00 55.73 53.83 1yic s ARG 38 Cb 0.00 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1yic s ARG 38 CO 0.00 -0.08 0.60 -1.01 0.02 0.00 0.00 175.30 174.83 1yic s HIS 39 N -2.37 3.51 -0.94 -0.53 3.76 -1.26 -0.53 115.29 116.93 1yic s HIS 39 Ca 0.46 0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 55.64 1yic s HIS 39 Cb -0.06 -2.03 -0.08 0.00 1.11 0.00 0.00 32.58 31.53 1yic s HIS 39 CO 0.28 0.06 2.04 -1.54 -0.85 0.00 0.00 174.74 174.73 1yic s SER 40 N -3.82 4.80 0.00 1.40 1.04 0.84 -3.42 113.70 114.53 1yic s SER 40 Ca 0.42 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.13 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 0.36 -3.12 0.00 0.61 0.98 0.00 0.00 173.24 172.07 1yic n GLY 41 N 6.64 -0.12 1.44 7.32 0.00 -1.26 -3.61 105.19 115.60 1yic n GLY 41 Ca 0.42 0.01 -0.03 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 1.88 -3.81 1.61 6.02 -1.22 -4.99 117.38 116.87 1yic n GLN 42 Ca 0.00 -3.33 -0.36 0.00 -0.01 0.00 0.00 57.00 53.29 1yic n GLN 42 Cb 0.00 -1.51 -0.13 0.00 1.02 0.00 0.00 30.24 29.62 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 -2.82 2.99 -0.76 -1.58 0.00 -1.26 -5.06 121.76 113.27 1yic s ALA 43 Ca 0.40 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.74 1yic s ALA 43 Cb 0.38 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.53 1yic s ALA 43 CO -0.05 -0.76 1.27 -1.83 0.00 0.00 0.00 175.76 174.39 1yic s GLU 44 N 1.49 3.22 0.00 0.00 -1.05 -1.26 -3.16 118.70 117.94 1yic s GLU 44 Ca 0.03 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1yic s GLU 44 Cb -0.16 -4.30 0.00 0.00 -0.44 0.00 0.00 34.13 29.23 1yic s GLU 44 CO 0.01 -2.13 0.00 0.41 0.95 0.00 0.00 175.26 174.50 1yic n GLY 45 N 5.51 3.36 3.82 -3.83 0.00 -1.26 -5.13 105.19 107.67 1yic n GLY 45 Ca 0.05 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 3.18 -0.79 1.61 5.04 -1.19 -5.02 117.35 120.18 1yic s TYR 46 Ca 0.00 1.48 -0.02 0.00 -2.44 0.00 0.00 57.07 56.09 1yic s TYR 46 Cb 0.00 -2.91 0.20 0.00 0.35 0.00 0.00 41.96 39.59 1yic s TYR 46 CO 0.00 -0.88 0.64 -1.12 -1.34 0.00 0.00 175.55 172.85 1yic s SER 47 N -3.05 5.64 1.03 4.32 0.01 -1.26 -4.99 113.70 115.40 1yic s SER 47 Ca 0.61 -3.44 -0.11 0.00 1.31 0.00 0.00 55.95 54.32 1yic s SER 47 Cb -0.14 -1.87 0.21 0.00 0.21 0.00 0.00 66.02 64.43 1yic s SER 47 CO 0.38 -0.24 1.09 -0.31 0.41 0.00 0.00 173.24 174.57 1yic s TYR 48 N -0.92 1.47 0.35 2.43 2.02 -1.26 -5.01 117.35 116.44 1yic s TYR 48 Ca 0.24 1.54 -0.26 0.00 -0.37 0.00 0.00 57.07 58.21 1yic s TYR 48 Cb -0.11 -3.24 -0.09 0.00 -0.40 0.00 0.00 41.96 38.12 1yic s TYR 48 CO -0.10 -3.31 1.07 0.95 -1.57 0.00 0.00 175.55 172.60 1yic s THR 49 N -2.55 3.60 0.31 -0.71 -4.23 -1.26 -4.88 115.64 105.90 1yic s THR 49 Ca 0.68 1.37 0.06 0.00 -1.18 0.00 0.00 61.69 62.62 1yic s THR 49 Cb -0.24 -3.78 0.33 0.00 1.34 0.00 0.00 72.50 70.14 1yic s THR 49 CO 0.61 0.15 1.64 0.44 -0.54 0.00 0.00 174.62 176.93 1yic h ASP 50 N 3.03 0.10 0.00 3.99 3.32 -1.95 0.56 116.42 125.47 1yic h ASP 50 Ca -0.48 0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1yic h ASP 50 Cb 1.22 0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1yic h ASP 50 CO 0.64 -0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 1yic n ALA 51 N -2.62 -0.27 -0.06 3.45 0.00 -1.26 -0.55 120.51 119.20 1yic n ALA 51 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 1yic n ALA 51 Cb 0.79 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 20.45 1yic n ALA 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1yic h ASN 52 N 0.00 -0.63 -0.11 0.00 -1.24 -1.51 0.31 115.58 112.40 1yic h ASN 52 Ca 0.00 0.13 0.01 0.00 0.71 0.00 0.00 56.30 57.15 1yic h ASN 52 Cb 0.00 0.31 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 1yic h ASN 52 CO 0.00 -0.23 -0.13 0.40 -1.29 0.00 0.00 177.43 176.18 1yic h ILE 53 N -0.18 0.00 0.00 2.57 2.04 -0.95 -1.52 117.51 119.46 1yic h ILE 53 Ca 0.14 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1yic h ILE 53 Cb 0.40 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1yic h ILE 53 CO -0.37 0.00 -0.03 0.50 0.00 0.00 0.00 178.15 178.26 1yic h LYS 54 N -0.08 0.00 -0.58 2.37 3.11 -0.44 -1.26 116.57 119.69 1yic h LYS 54 Ca 0.02 0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.92 1yic h LYS 54 Cb 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.31 1yic h LYS 54 CO -0.15 0.03 0.30 -0.22 -2.81 0.00 0.00 179.45 176.60 1yic h LYS 55 N 0.00 0.54 -6.85 1.90 1.63 0.65 -3.47 116.57 110.97 1yic h LYS 55 Ca -0.00 -0.03 -0.58 0.00 -0.85 0.00 0.00 60.65 59.19 1yic h LYS 55 Cb 0.35 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1yic h LYS 55 CO 0.00 0.36 -0.99 0.09 -3.45 0.00 0.00 179.45 175.46 1yic n ASN 56 N -4.86 -3.37 -4.66 4.20 4.13 -0.48 -4.91 115.26 105.31 1yic n ASN 56 Ca 0.07 -1.25 -0.39 0.00 1.68 0.00 0.00 54.58 54.68 1yic n ASN 56 Cb 0.17 -1.94 -0.07 0.00 -1.54 0.00 0.00 39.78 36.40 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 -3.67 5.09 0.11 2.41 1.01 -1.26 -4.64 120.40 119.46 1yic s VAL 57 Ca 0.40 0.99 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 1yic s VAL 57 Cb -0.21 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1yic s VAL 57 CO 0.96 0.17 1.57 -0.22 0.00 0.00 0.00 175.10 177.58 1yic s LEU 58 N 1.68 4.37 -0.27 3.92 2.96 -1.26 -0.11 118.68 129.96 1yic s LEU 58 Ca 0.25 2.50 -0.26 0.00 -0.22 0.00 0.00 54.13 56.40 1yic s LEU 58 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1yic s LEU 58 CO 0.10 -0.82 0.92 0.26 -1.32 0.00 0.00 176.35 175.48 1yic s TRP 59 N 1.78 3.25 0.10 5.38 0.23 0.31 -4.63 118.94 125.36 1yic s TRP 59 Ca 0.71 1.13 -0.01 0.00 -2.03 0.00 0.00 56.10 55.90 1yic s TRP 59 Cb -0.41 -3.28 -0.04 0.00 0.03 0.00 0.00 33.47 29.77 1yic s TRP 59 CO 0.31 -0.54 0.02 0.34 0.96 0.00 0.00 176.95 178.04 1yic s ASP 60 N 1.46 0.45 0.59 2.95 -1.08 -1.26 -0.21 116.67 119.56 1yic s ASP 60 Ca 0.38 -1.12 0.29 0.00 -0.52 0.00 0.00 52.55 51.58 1yic s ASP 60 Cb -0.14 0.25 1.63 0.00 -1.46 0.00 0.00 42.92 43.20 1yic s ASP 60 CO 0.10 -0.66 2.05 -0.33 0.52 0.00 0.00 175.17 176.85 1yic h GLU 61 N 2.97 0.00 0.07 4.34 5.08 -1.98 0.20 114.58 125.26 1yic h GLU 61 Ca -0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1yic h GLU 61 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1yic h GLU 61 CO 0.62 0.00 -0.03 -0.97 -1.00 0.00 0.00 179.01 177.63 1yic h ASN 62 N 0.00 -0.08 0.01 1.42 -1.24 -1.96 -3.24 115.58 110.50 1yic h ASN 62 Ca 0.11 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1yic h ASN 62 Cb 0.63 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1yic h ASN 62 CO -0.00 0.20 -0.01 -1.13 -1.29 0.00 0.00 177.43 175.21 1yic h ASN 63 N -0.62 -0.01 -0.95 1.15 -1.24 -1.76 -1.21 115.58 110.94 1yic h ASN 63 Ca -0.01 -0.04 0.26 0.00 0.71 0.00 0.00 56.30 57.22 1yic h ASN 63 Cb 0.07 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 38.99 1yic h ASN 63 CO 0.02 0.04 0.45 -0.03 -1.29 0.00 0.00 177.43 176.61 1yic h MET 64 N -0.06 0.36 0.09 6.67 4.05 -0.83 -0.19 114.93 125.01 1yic h MET 64 Ca -0.00 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1yic h MET 64 Cb 0.06 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1yic h MET 64 CO 0.00 0.24 -0.11 0.66 0.23 0.00 0.00 176.91 177.93 1yic h SER 65 N 0.37 -0.29 -0.53 1.39 4.64 -1.24 0.16 113.55 118.05 1yic h SER 65 Ca 0.63 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.96 1yic h SER 65 Cb 1.29 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 1yic h SER 65 CO -0.57 -0.16 0.23 1.05 -0.87 0.00 0.00 176.83 176.51 1yic h GLU 66 N -0.23 0.77 0.45 4.77 4.11 -0.88 -0.16 114.58 123.42 1yic h GLU 66 Ca 0.01 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1yic h GLU 66 Cb 0.23 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1yic h GLU 66 CO -0.05 0.66 -0.47 -0.92 0.07 0.00 0.00 179.01 178.31 1yic h TYR 67 N 0.71 -1.30 -0.08 2.06 3.20 -0.94 -2.89 116.97 117.73 1yic h TYR 67 Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1yic h TYR 67 Cb 0.16 0.51 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1yic h TYR 67 CO 0.00 -0.62 0.01 -0.07 -1.64 0.00 0.00 178.16 175.85 1yic h LEU 68 N -0.92 0.10 -1.41 2.82 3.38 -0.44 0.32 115.31 119.15 1yic h LEU 68 Ca -0.06 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.13 1yic h LEU 68 Cb 0.80 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 1yic h LEU 68 CO -0.07 0.11 0.63 0.74 0.09 0.00 0.00 178.44 179.94 1yic h THR 69 N 0.11 0.63 -0.26 0.22 2.02 -0.81 0.21 112.91 115.03 1yic h THR 69 Ca 0.03 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 1yic h THR 69 Cb 0.06 0.15 -0.15 0.00 -1.74 0.00 0.00 68.15 66.47 1yic h THR 69 CO -0.00 0.08 -0.25 -0.46 0.37 0.00 0.00 175.52 175.26 1yic n ASN 70 N -4.57 -2.10 -1.20 4.18 0.23 0.86 -3.98 115.26 108.67 1yic n ASN 70 Ca 0.22 -2.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 1yic n ASN 70 Cb 0.75 1.15 0.00 0.00 -2.08 0.00 0.00 39.78 39.60 1yic n ASN 70 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1yic n PRO 71 N 2.17 0.38 0.00 -0.53 -0.04 0.29 -1.84 135.00 135.43 1yic n PRO 71 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1yic n PRO 71 Cb 0.64 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.06 0.00 -0.02 0.54 4.76 -1.26 -0.20 118.16 123.03 1yic n LYS 73 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1yic n LYS 73 Cb 0.19 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.30 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1yic h TYR 74 N 0.00 0.13 -3.41 2.13 3.20 -1.70 -3.36 116.97 113.97 1yic h TYR 74 Ca 0.00 -0.03 -0.72 0.00 3.14 0.00 0.00 58.73 61.12 1yic h TYR 74 Cb 0.00 -0.03 -0.34 0.00 1.54 0.00 0.00 36.73 37.90 1yic h TYR 74 CO 0.00 0.48 -0.06 0.42 -1.64 0.00 0.00 178.16 177.36 1yic s ILE 75 N -4.62 4.53 -0.82 1.81 1.01 0.72 -5.03 121.20 118.80 1yic s ILE 75 Ca -0.15 -3.62 -0.25 0.00 0.00 0.00 0.00 60.65 56.63 1yic s ILE 75 Cb 0.04 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 1yic s ILE 75 CO 0.69 -1.07 2.02 -2.16 0.00 0.00 0.00 174.94 174.43 1yic s PRO 76 N -1.08 2.40 0.00 2.79 0.04 -1.26 -1.79 135.00 136.09 1yic s PRO 76 Ca 0.26 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1yic s PRO 76 Cb -0.10 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1yic s PRO 76 CO -0.10 -3.43 0.00 0.41 0.04 0.00 0.00 177.00 173.91 1yic n GLY 77 N 6.62 0.72 3.68 0.56 0.00 -1.26 -4.92 105.19 110.58 1yic n GLY 77 Ca 0.38 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.95 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 0.64 -0.99 2.61 5.66 -0.74 -4.80 114.28 116.66 1yic n THR 78 Ca 0.00 -0.16 -0.19 0.00 -3.05 0.00 0.00 64.05 60.65 1yic n THR 78 Cb 0.00 -1.53 0.03 0.00 -1.55 0.00 0.00 70.33 67.28 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 2.50 1.94 -3.05 1.09 2.85 -1.26 -4.78 118.16 117.45 1yic n LYS 79 Ca 0.13 -1.79 -0.45 0.00 -1.05 0.00 0.00 58.31 55.16 1yic n LYS 79 Cb 0.31 -1.72 -0.03 0.00 -0.65 0.00 0.00 35.03 32.93 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 -1.99 3.36 -1.25 -1.58 1.75 -1.26 -4.93 119.30 113.40 1yic s MET 80 Ca 0.37 -1.62 -0.08 0.00 -1.25 0.00 0.00 55.69 53.11 1yic s MET 80 Cb 0.28 -4.53 -0.06 0.00 2.84 0.00 0.00 34.83 33.36 1yic s MET 80 CO -0.03 -1.62 2.91 0.00 -0.65 0.00 0.00 175.02 175.63 1yic n ALA 81 N 6.19 7.16 -2.63 4.11 0.00 -1.26 -4.92 120.51 129.16 1yic n ALA 81 Ca 0.08 -3.39 -0.33 0.00 0.00 0.00 0.00 53.44 49.80 1yic n ALA 81 Cb 0.46 -3.01 -0.05 0.00 0.00 0.00 0.00 19.45 16.86 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 0.96 3.51 0.09 0.00 5.36 -1.26 -5.03 117.98 121.60 1yic s PHE 82 Ca 0.65 0.64 -0.34 0.00 -0.96 0.00 0.00 56.93 56.92 1yic s PHE 82 Cb 0.21 -2.06 -0.16 0.00 -0.34 0.00 0.00 43.02 40.67 1yic s PHE 82 CO -0.07 0.46 1.54 0.78 -1.46 0.00 0.00 175.22 176.46 1yic h GLY 83 N 3.12 -1.23 0.00 13.12 0.00 -1.95 -3.47 103.07 112.65 1yic h GLY 83 Ca -0.47 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1yic h GLY 83 CO 0.70 -0.34 0.00 0.61 0.00 0.00 0.00 176.54 177.51 1yic n GLY 84 N -1.52 1.81 0.54 4.60 0.00 -1.26 -4.91 105.19 104.45 1yic n GLY 84 Ca -0.11 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 0.00 0.99 4.77 0.75 -4.95 117.00 118.56 1yic n LEU 85 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1yic n LEU 85 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yic n LEU 85 CO 0.00 -0.26 0.00 1.17 -1.33 0.00 0.00 177.39 176.97 1yic n LYS 86 N -1.79 0.00 -1.13 3.23 4.81 -1.26 -4.86 118.16 117.16 1yic n LYS 86 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.91 1yic n LYS 86 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1yic n LYS 86 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1yic n LYS 87 N 0.00 0.00 0.09 1.64 5.02 -1.26 -4.78 118.16 118.87 1yic n LYS 87 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1yic n LYS 87 Cb 0.00 -1.31 0.68 0.00 -0.02 0.00 0.00 35.03 34.39 1yic n LYS 87 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1yic h GLU 88 N 7.52 0.00 -0.71 1.97 4.11 -1.98 0.28 114.58 125.77 1yic h GLU 88 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1yic h GLU 88 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1yic h GLU 88 CO 0.94 0.00 0.00 1.17 0.07 0.00 0.00 179.01 181.19 1yic n LYS 89 N -4.40 3.27 0.04 1.06 3.00 -1.26 -3.68 118.16 116.19 1yic n LYS 89 Ca 0.05 -2.80 0.00 0.00 -0.00 0.00 0.00 58.31 55.56 1yic n LYS 89 Cb 0.43 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.71 1yic n LYS 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yic n ASP 90 N 1.42 0.30 0.28 3.14 9.92 -0.31 -4.67 116.55 126.62 1yic n ASP 90 Ca 0.26 0.12 -0.18 0.00 -0.53 0.00 0.00 54.79 54.46 1yic n ASP 90 Cb 0.77 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 41.12 1yic n ASP 90 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1yic h ARG 91 N 0.00 -0.93 0.14 -1.24 2.43 -0.73 0.93 114.38 114.98 1yic h ARG 91 Ca 0.00 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1yic h ARG 91 Cb 0.37 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1yic h ARG 91 CO 0.00 -0.62 -0.19 -0.91 -1.51 0.00 0.00 179.97 176.74 1yic h ASN 92 N -0.97 -0.53 -0.69 -3.80 2.35 -1.73 -0.31 115.58 109.91 1yic h ASN 92 Ca -0.06 0.06 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1yic h ASN 92 Cb 0.84 0.19 -0.13 0.00 0.05 0.00 0.00 38.32 39.28 1yic h ASN 92 CO -0.07 -0.28 -0.32 0.44 -1.65 0.00 0.00 177.43 175.56 1yic h ASP 93 N -0.39 -1.12 -0.05 5.81 5.19 -1.70 0.18 116.42 124.35 1yic h ASP 93 Ca 0.02 0.24 0.04 0.00 -0.62 0.00 0.00 57.03 56.70 1yic h ASP 93 Cb 0.39 0.58 -0.05 0.00 0.18 0.00 0.00 39.33 40.43 1yic h ASP 93 CO -0.08 -0.29 -0.30 0.25 -3.12 0.00 0.00 179.24 175.69 1yic h LEU 94 N -0.11 -0.92 -0.42 1.55 5.85 -0.14 -0.59 115.31 120.53 1yic h LEU 94 Ca 0.28 0.13 0.08 0.00 0.84 0.00 0.00 57.88 59.21 1yic h LEU 94 Cb 0.56 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 1yic h LEU 94 CO -0.75 -0.36 -0.06 0.40 -0.34 0.00 0.00 178.44 177.33 1yic h ILE 95 N -0.42 0.62 -0.16 4.05 2.04 0.31 0.24 117.51 124.19 1yic h ILE 95 Ca 0.07 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1yic h ILE 95 Cb 0.53 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1yic h ILE 95 CO -0.29 0.01 0.01 0.71 0.00 0.00 0.00 178.15 178.59 1yic h THR 96 N 0.05 0.91 0.06 -0.27 1.35 -0.04 0.17 112.91 115.12 1yic h THR 96 Ca 0.21 -0.02 0.02 0.00 -0.55 0.00 0.00 66.41 66.07 1yic h THR 96 Cb 0.31 0.83 -0.05 0.00 -1.73 0.00 0.00 68.15 67.52 1yic h THR 96 CO -0.40 0.01 -0.43 0.22 -0.25 0.00 0.00 175.52 174.67 1yic h TYR 97 N 0.07 -1.22 -0.77 4.73 3.20 -0.78 -1.06 116.97 121.15 1yic h TYR 97 Ca 0.07 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1yic h TYR 97 Cb 0.08 0.53 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1yic h TYR 97 CO -0.14 -0.51 0.46 -0.07 -1.64 0.00 0.00 178.16 176.25 1yic h LEU 98 N -0.62 0.70 -0.45 2.82 3.38 -0.23 0.24 115.31 121.15 1yic h LEU 98 Ca 0.03 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1yic h LEU 98 Cb 0.67 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1yic h LEU 98 CO -0.29 0.45 0.08 0.50 0.09 0.00 0.00 178.44 179.27 1yic h LYS 99 N 0.84 0.20 -0.08 1.13 1.63 -0.36 0.88 116.57 120.81 1yic h LYS 99 Ca 0.34 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.10 1yic h LYS 99 Cb 0.17 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1yic h LYS 99 CO -0.17 0.13 -0.04 -0.22 -3.45 0.00 0.00 179.45 175.70 1yic h LYS 100 N 0.21 0.16 -0.82 1.90 3.64 0.21 -2.46 116.57 119.42 1yic h LYS 100 Ca 0.22 -0.07 0.18 0.00 -1.27 0.00 0.00 60.65 59.71 1yic h LYS 100 Cb 0.29 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1yic h LYS 100 CO -0.30 0.54 0.55 0.00 -2.27 0.00 0.00 179.45 177.96 1yic h ALA 101 N 0.62 2.19 -0.26 5.00 0.00 -0.40 -1.43 119.26 124.98 1yic h ALA 101 Ca 0.02 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1yic h ALA 101 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1yic h ALA 101 CO 0.01 -0.43 -0.10 1.03 0.00 0.00 0.00 179.25 179.76 1yic h SER 102 N 0.39 0.54 -0.00 0.00 0.87 -0.58 -3.48 113.55 111.28 1yic h SER 102 Ca 0.41 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1yic h SER 102 Cb 1.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1yic h SER 102 CO -0.14 0.81 0.00 -1.84 -0.53 0.00 0.00 176.83 175.14