#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 3.55 -2.90 -0.78 1.02 -1.26 -4.79 120.64 115.48 1yic n GLU -4 Ca 0.00 -4.14 -0.03 0.00 -0.02 0.00 0.00 57.16 52.97 1yic n GLU -4 Cb 0.00 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 28.64 1yic n GLU -4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1yic n PHE -3 N 3.92 -2.90 -0.24 -0.32 7.35 -1.26 -4.83 117.46 119.17 1yic n PHE -3 Ca 0.31 1.26 0.20 0.00 -0.76 0.00 0.00 57.45 58.46 1yic n PHE -3 Cb 0.40 -3.17 0.53 0.00 0.35 0.00 0.00 39.48 37.59 1yic n PHE -3 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1yic h LYS -2 N 3.01 0.36 0.00 -4.13 3.11 -1.94 -3.47 116.57 113.52 1yic h LYS -2 Ca -0.03 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1yic h LYS -2 Cb 0.46 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 1yic h LYS -2 CO 0.10 0.24 0.00 0.00 -2.81 0.00 0.00 179.45 176.98 1yic n ALA -1 N -2.53 0.00 0.00 5.00 0.00 -1.26 -5.05 120.51 116.67 1yic n ALA -1 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1yic n ALA -1 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.74 3.52 0.00 0.00 -1.26 -4.67 105.19 102.04 1yic n GLY 1 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.18 1yic n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yic s SER 2 N -4.00 -0.40 0.15 1.61 0.15 -1.26 -5.06 113.70 104.88 1yic s SER 2 Ca 0.00 0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.58 1yic s SER 2 Cb 0.00 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1yic s SER 2 CO 0.00 -0.56 1.59 0.00 1.20 0.00 0.00 173.24 175.47 1yic h ALA 3 N 2.25 -0.35 0.00 5.45 0.00 -1.82 -3.39 119.26 121.39 1yic h ALA 3 Ca -0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yic h ALA 3 Cb 1.21 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1yic h ALA 3 CO 0.32 -0.81 0.00 1.17 0.00 0.00 0.00 179.25 179.93 1yic n LYS 4 N -5.42 0.00 0.09 0.00 3.00 -1.26 0.94 118.16 115.50 1yic n LYS 4 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.17 1yic n LYS 4 Cb 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.30 1yic n LYS 4 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1yic h LYS 5 N 0.00 0.30 -0.41 1.64 1.57 -1.89 -3.35 116.57 114.43 1yic h LYS 5 Ca 0.00 -0.40 0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1yic h LYS 5 Cb 0.00 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 1yic h LYS 5 CO 0.00 1.12 0.06 0.41 -0.57 0.00 0.00 179.45 180.47 1yic n GLY 6 N 1.17 -0.49 0.00 3.86 0.00 0.27 -0.38 105.19 109.62 1yic n GLY 6 Ca -0.07 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1yic n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yic n ALA 7 N -3.26 -0.23 -0.36 4.61 0.00 -1.26 -0.21 120.51 119.79 1yic n ALA 7 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1yic n ALA 7 Cb 0.37 0.18 0.13 0.00 0.00 0.00 0.00 19.45 20.12 1yic n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yic h THR 8 N 0.00 1.19 -0.65 0.00 1.03 -0.98 -0.33 112.91 113.17 1yic h THR 8 Ca 0.00 -0.43 0.12 0.00 -0.01 0.00 0.00 66.41 66.08 1yic h THR 8 Cb 0.00 -0.18 -0.12 0.00 -1.07 0.00 0.00 68.15 66.78 1yic h THR 8 CO 0.00 0.23 -0.31 -0.07 -0.01 0.00 0.00 175.52 175.36 1yic h LEU 9 N 1.26 -1.10 -0.48 0.00 -0.00 -0.69 0.52 115.31 114.82 1yic h LEU 9 Ca 0.38 0.23 -0.03 0.00 -0.00 0.00 0.00 57.88 58.46 1yic h LEU 9 Cb -0.04 0.57 -0.02 0.00 -0.00 0.00 0.00 40.66 41.17 1yic h LEU 9 CO -0.11 -0.29 0.17 0.15 -0.00 0.00 0.00 178.44 178.36 1yic h PHE 10 N -0.12 0.75 0.00 1.13 3.04 0.59 0.46 116.94 122.79 1yic h PHE 10 Ca 0.26 -0.07 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1yic h PHE 10 Cb 0.55 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1yic h PHE 10 CO -0.65 0.64 -0.20 0.87 -2.02 0.00 0.00 178.31 176.95 1yic h LYS 11 N 0.64 0.00 0.00 1.11 1.57 0.66 0.19 116.57 120.73 1yic h LYS 11 Ca 0.16 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.72 1yic h LYS 11 Cb 0.23 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1yic h LYS 11 CO -0.01 0.20 -2.00 0.25 -0.57 0.00 0.00 179.45 177.32 1yic n THR 12 N -4.00 1.01 -2.73 -0.16 -2.24 0.16 -4.51 114.28 101.81 1yic n THR 12 Ca -0.02 -0.72 -0.05 0.00 -2.27 0.00 0.00 64.05 60.98 1yic n THR 12 Cb 0.28 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.68 1.36 0.11 -0.78 1.74 0.16 -4.90 116.66 111.66 1yic n ARG 13 Ca -0.19 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.73 1yic n ARG 13 Cb 0.93 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 1yic n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yic n LEU 15 N -2.98 0.36 -0.07 0.00 7.94 0.06 -0.20 117.00 122.11 1yic n LEU 15 Ca 0.00 0.59 -0.04 0.00 -1.11 0.00 0.00 56.01 55.45 1yic n LEU 15 Cb 0.00 -0.59 0.18 0.00 0.53 0.00 0.00 43.42 43.54 1yic n LEU 15 CO 0.00 -0.72 0.85 0.06 -1.11 0.00 0.00 177.39 176.47 1yic h GLN 16 N 0.00 0.70 0.00 1.96 3.07 -1.79 -3.30 115.11 115.75 1yic h GLN 16 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.54 1yic h GLN 16 Cb 0.36 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1yic h GLN 16 CO 0.00 0.76 -0.49 0.00 0.09 0.00 0.00 178.83 179.19 1yic n HIS 18 N -3.61 -3.90 -3.72 0.00 8.25 0.72 -4.27 115.22 108.69 1yic n HIS 18 Ca -0.07 -0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.05 1yic n HIS 18 Cb 0.25 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.58 0.09 -0.49 1.59 -4.23 -1.26 -4.20 115.64 105.55 1yic s THR 19 Ca 0.16 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1yic s THR 19 Cb -0.01 -1.29 0.58 0.00 1.34 0.00 0.00 72.50 73.13 1yic s THR 19 CO 0.11 -0.39 1.88 0.55 -0.54 0.00 0.00 174.62 176.23 1yic n VAL 20 N -0.19 3.24 -4.23 2.29 3.14 -1.26 -1.56 118.33 119.75 1yic n VAL 20 Ca -0.15 -2.38 -0.35 0.00 -2.96 0.00 0.00 64.34 58.50 1yic n VAL 20 Cb 0.63 -0.67 -0.09 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 -3.46 3.26 -0.33 1.45 2.02 -1.26 -4.04 118.70 116.35 1yic s GLU 21 Ca 0.58 -0.36 -0.27 0.00 0.02 0.00 0.00 54.97 54.94 1yic s GLU 21 Cb 0.48 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 1yic s GLU 21 CO 0.06 0.62 2.26 0.21 0.02 0.00 0.00 175.26 178.44 1yic s LYS 22 N -0.64 2.76 -1.19 1.61 2.20 -1.26 -0.20 119.74 123.02 1yic s LYS 22 Ca 0.11 1.76 -0.07 0.00 -0.36 0.00 0.00 55.97 57.41 1yic s LYS 22 Cb -0.12 -4.44 0.01 0.00 -1.51 0.00 0.00 37.83 31.77 1yic s LYS 22 CO 0.02 -2.52 1.04 0.41 -0.36 0.00 0.00 175.35 173.93 1yic n GLY 23 N 5.84 -0.37 3.33 5.54 0.00 -1.26 -5.01 105.19 113.26 1yic n GLY 23 Ca 0.32 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.72 -2.88 0.00 -0.02 0.00 0.72 -4.82 105.19 96.47 1yic n GLY 24 Ca -0.04 -1.36 0.03 0.00 0.00 0.00 0.00 46.02 44.64 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 -5.02 0.28 0.00 1.61 -0.04 -1.26 -4.76 135.00 125.81 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 0.56 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.81 0.00 -0.74 0.54 8.25 -1.26 -4.90 115.22 116.29 1yic n HIS 26 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1yic n HIS 26 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 0.00 0.00 0.00 -0.41 2.85 -1.26 -4.17 118.16 115.17 1yic n LYS 27 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1yic n LYS 27 Cb 0.00 -0.37 0.00 0.00 -0.65 0.00 0.00 35.03 34.01 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 -0.74 0.00 -2.50 0.58 0.31 -1.26 -4.21 118.33 110.50 1yic n VAL 28 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 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 0.61 -1.32 0.00 0.00 176.83 176.12 1yic n GLY 29 N 0.00 0.79 3.85 2.92 0.00 -1.26 -5.09 105.19 106.41 1yic n GLY 29 Ca 0.00 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 1yic n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yic s PRO 30 N -3.95 3.95 0.42 1.61 0.04 -1.26 -4.49 135.00 131.31 1yic s PRO 30 Ca 0.39 0.48 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 1yic s PRO 30 Cb -0.02 -2.74 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 1yic s PRO 30 CO 0.26 0.36 1.42 0.09 0.04 0.00 0.00 177.00 179.16 1yic n ASN 31 N 0.27 3.30 -0.10 6.66 3.02 -1.26 -4.61 115.26 122.53 1yic n ASN 31 Ca -0.01 1.15 -0.20 0.00 -0.03 0.00 0.00 54.58 55.48 1yic n ASN 31 Cb 0.52 -1.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.00 1yic n ASN 31 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yic n LEU 32 N 0.07 1.85 -4.16 3.41 4.77 -0.60 -4.68 117.00 117.67 1yic n LEU 32 Ca 0.04 0.45 -0.33 0.00 -0.03 0.00 0.00 56.01 56.14 1yic n LEU 32 Cb 0.40 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1yic n LEU 32 CO 0.61 0.19 -0.08 0.00 -1.33 0.00 0.00 177.39 176.77 1yic n HIS 33 N -4.45 -1.73 -1.69 -1.77 1.44 -1.26 -1.22 115.22 104.54 1yic n HIS 33 Ca -0.29 0.79 -0.00 0.00 -2.01 0.00 0.00 57.72 56.20 1yic n HIS 33 Cb 0.63 -3.16 0.00 0.00 0.12 0.00 0.00 29.99 27.58 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 -1.58 -0.21 0.36 -1.39 0.00 -1.26 -4.81 105.19 96.31 1yic n GLY 34 Ca -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1yic n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yic h ILE 35 N 0.02 1.21 -1.23 -0.61 -0.00 -1.54 -3.42 117.51 111.94 1yic h ILE 35 Ca -0.01 -0.40 -0.62 0.00 -0.00 0.00 0.00 64.86 63.82 1yic h ILE 35 Cb 1.01 -0.07 -0.02 0.00 -0.00 0.00 0.00 36.82 37.74 1yic h ILE 35 CO 0.04 0.21 1.48 0.49 -0.00 0.00 0.00 178.15 180.37 1yic n PHE 36 N -4.41 1.58 0.00 2.19 3.72 -1.26 -1.46 117.46 117.81 1yic n PHE 36 Ca 0.10 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 1yic n PHE 36 Cb 0.04 -2.57 0.00 0.00 -0.94 0.00 0.00 39.48 36.01 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 6.36 3.83 0.00 1.37 0.00 -1.18 -5.05 105.19 110.53 1yic n GLY 37 Ca 0.40 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1yic n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yic n ARG 38 N 0.00 2.00 -3.96 1.61 1.85 -0.54 -4.97 116.66 112.65 1yic n ARG 38 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 1yic n ARG 38 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 1yic n ARG 38 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1yic s HIS 39 N -0.52 2.49 -1.39 2.89 3.76 -1.26 -1.26 115.29 120.01 1yic s HIS 39 Ca 0.00 -0.60 -0.12 0.00 -0.15 0.00 0.00 55.06 54.18 1yic s HIS 39 Cb 0.00 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1yic s HIS 39 CO 0.00 0.02 2.46 -1.13 -0.85 0.00 0.00 174.74 175.24 1yic n SER 40 N -1.39 5.69 0.00 1.40 3.41 0.11 -3.47 113.62 119.38 1yic n SER 40 Ca -0.00 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1yic n SER 40 Cb 0.64 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 1yic n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yic n GLY 41 N 3.91 0.00 0.67 5.00 0.00 -1.26 -2.84 105.19 110.67 1yic n GLY 41 Ca 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 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 0.22 0.00 1.61 6.02 -1.23 -4.95 117.38 119.05 1yic n GLN 42 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1yic n GLN 42 Cb 0.00 -0.88 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1yic n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yic n ALA 43 N -3.56 0.00 0.10 -1.58 0.00 -1.26 -4.79 120.51 109.43 1yic n ALA 43 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1yic n ALA 43 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1yic n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yic n GLU 44 N 10.27 0.00 -2.16 0.00 2.13 -1.26 -4.96 120.64 124.65 1yic n GLU 44 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1yic n GLU 44 Cb 0.00 -0.01 0.02 0.00 0.27 0.00 0.00 31.44 31.72 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yic n GLY 45 N 1.54 5.87 3.53 8.31 0.00 -1.26 -5.05 105.19 118.13 1yic n GLY 45 Ca 0.00 -2.52 -0.30 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.60 2.67 -0.31 1.61 5.04 -1.26 -5.04 117.35 116.46 1yic s TYR 46 Ca 0.48 -0.19 0.11 0.00 -2.44 0.00 0.00 57.07 55.03 1yic s TYR 46 Cb 0.40 -1.45 -0.14 0.00 0.35 0.00 0.00 41.96 41.12 1yic s TYR 46 CO 0.00 0.36 0.37 0.43 -1.34 0.00 0.00 175.55 175.37 1yic n SER 47 N 1.11 1.29 -0.50 4.32 7.64 -1.26 -4.97 113.62 121.24 1yic n SER 47 Ca -0.15 -0.45 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1yic n SER 47 Cb 0.52 1.21 0.00 0.00 -1.01 0.00 0.00 64.21 64.93 1yic n SER 47 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1yic n TYR 48 N -1.51 -1.41 -0.63 1.43 4.02 -1.26 -4.35 117.16 113.45 1yic n TYR 48 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.97 1yic n TYR 48 Cb 0.22 0.20 0.21 0.00 -0.02 0.00 0.00 39.34 39.94 1yic n TYR 48 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1yic n THR 49 N -1.00 1.71 0.00 -0.72 -1.04 -1.26 -5.01 114.28 106.96 1yic n THR 49 Ca 0.00 -1.49 0.00 0.00 -2.04 0.00 0.00 64.05 60.52 1yic n THR 49 Cb 0.00 0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1yic n THR 49 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1yic n ASP 50 N -0.08 0.00 -0.30 8.00 2.03 -1.26 -4.66 116.55 120.28 1yic n ASP 50 Ca 0.17 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.69 1yic n ASP 50 Cb 0.68 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.58 1yic n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yic h ALA 51 N 0.00 2.21 0.04 -1.67 0.00 -1.94 0.22 119.26 118.13 1yic h ALA 51 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yic h ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yic h ALA 51 CO 0.00 -0.57 -0.02 -0.97 0.00 0.00 0.00 179.25 177.69 1yic h ASN 52 N 0.42 -0.05 -0.69 0.00 -1.24 -1.87 -3.11 115.58 109.04 1yic h ASN 52 Ca 0.55 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.68 1yic h ASN 52 Cb 1.38 0.01 -0.12 0.00 0.73 0.00 0.00 38.32 40.32 1yic h ASN 52 CO -0.26 -0.02 -0.38 0.40 -1.29 0.00 0.00 177.43 175.88 1yic h ILE 53 N -0.08 0.11 -0.71 2.57 2.04 -1.20 -0.34 117.51 119.89 1yic h ILE 53 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1yic h ILE 53 Cb 0.05 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 1yic h ILE 53 CO 0.01 0.00 0.46 0.50 0.00 0.00 0.00 178.15 179.12 1yic h LYS 54 N -0.14 0.65 -5.15 2.37 1.63 -0.74 -2.82 116.57 112.38 1yic h LYS 54 Ca 0.24 -0.04 -0.71 0.00 -0.85 0.00 0.00 60.65 59.29 1yic h LYS 54 Cb 0.56 -0.15 -0.14 0.00 -0.60 0.00 0.00 32.23 31.90 1yic h LYS 54 CO -0.76 0.43 1.60 0.21 -3.45 0.00 0.00 179.45 177.49 1yic s LYS 55 N -5.61 4.03 0.01 1.90 2.36 -0.14 -4.99 119.74 117.29 1yic s LYS 55 Ca -0.09 -2.33 -0.32 0.00 -2.55 0.00 0.00 55.97 50.68 1yic s LYS 55 Cb 0.20 -5.21 -0.10 0.00 -1.05 0.00 0.00 37.83 31.66 1yic s LYS 55 CO 0.77 -1.93 1.93 0.09 1.55 0.00 0.00 175.35 177.75 1yic n ASN 56 N 6.63 3.92 -3.77 1.43 4.13 -1.07 -4.68 115.26 121.85 1yic n ASN 56 Ca 0.40 0.93 -0.15 0.00 1.68 0.00 0.00 54.58 57.44 1yic n ASN 56 Cb 0.44 -1.48 -0.16 0.00 -1.54 0.00 0.00 39.78 37.05 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 4.15 -0.06 0.28 2.41 1.01 -1.26 -4.94 120.40 121.98 1yic s VAL 57 Ca 0.89 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 1yic s VAL 57 Cb -0.53 -0.09 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 1yic s VAL 57 CO 0.45 0.09 1.04 -0.22 0.00 0.00 0.00 175.10 176.46 1yic s LEU 58 N 1.11 4.53 -0.36 3.92 2.96 -1.26 0.10 118.68 129.68 1yic s LEU 58 Ca -0.09 2.14 -0.19 0.00 -0.22 0.00 0.00 54.13 55.77 1yic s LEU 58 Cb -0.13 -3.69 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1yic s LEU 58 CO -0.03 -0.09 0.59 0.26 -1.32 0.00 0.00 176.35 175.75 1yic s TRP 59 N -1.24 3.16 0.28 5.38 0.52 -0.39 -4.75 118.94 121.90 1yic s TRP 59 Ca 0.45 0.26 0.10 0.00 0.02 0.00 0.00 56.10 56.93 1yic s TRP 59 Cb -0.29 -3.06 -0.05 0.00 -1.15 0.00 0.00 33.47 28.92 1yic s TRP 59 CO 0.37 -0.60 -0.14 0.34 0.02 0.00 0.00 176.95 176.93 1yic s ASP 60 N 1.79 3.27 0.26 2.95 2.15 -1.26 -3.08 116.67 122.75 1yic s ASP 60 Ca 0.22 -1.09 -0.02 0.00 0.43 0.00 0.00 52.55 52.09 1yic s ASP 60 Cb -0.15 -0.25 0.57 0.00 -0.30 0.00 0.00 42.92 42.79 1yic s ASP 60 CO 0.14 -0.11 1.66 1.05 -0.17 0.00 0.00 175.17 177.74 1yic h GLU 61 N 2.28 0.22 0.38 4.34 4.11 -1.96 0.12 114.58 124.06 1yic h GLU 61 Ca -0.40 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 1yic h GLU 61 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1yic h GLU 61 CO 0.64 0.14 -0.18 -0.97 0.07 0.00 0.00 179.01 178.71 1yic h ASN 62 N 0.22 -0.43 0.03 3.06 -1.24 -1.97 -2.95 115.58 112.31 1yic h ASN 62 Ca 0.48 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.36 1yic h ASN 62 Cb 0.89 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 1yic h ASN 62 CO -0.60 -0.00 -0.04 -1.13 -1.29 0.00 0.00 177.43 174.37 1yic h ASN 63 N -0.97 -0.10 -1.00 1.15 -0.73 -1.86 -0.88 115.58 111.18 1yic h ASN 63 Ca -0.05 0.01 0.32 0.00 1.87 0.00 0.00 56.30 58.45 1yic h ASN 63 Cb 0.53 0.04 -0.15 0.00 0.27 0.00 0.00 38.32 39.01 1yic h ASN 63 CO 0.09 -0.06 0.57 -0.03 -0.37 0.00 0.00 177.43 177.62 1yic h MET 64 N -0.09 0.34 -0.20 6.67 4.05 -0.87 -0.05 114.93 124.78 1yic h MET 64 Ca 0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1yic h MET 64 Cb 0.09 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1yic h MET 64 CO -0.02 0.22 0.07 0.66 0.23 0.00 0.00 176.91 178.07 1yic h SER 65 N 0.35 0.28 -0.69 1.39 4.64 -0.97 0.22 113.55 118.76 1yic h SER 65 Ca 0.73 -0.19 0.01 0.00 -0.47 0.00 0.00 61.79 61.87 1yic h SER 65 Cb 1.63 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.62 1yic h SER 65 CO -0.60 0.40 0.46 1.05 -0.87 0.00 0.00 176.83 177.27 1yic h GLU 66 N 0.15 0.90 0.85 4.77 4.11 -0.94 -0.69 114.58 123.74 1yic h GLU 66 Ca 0.06 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 1yic h GLU 66 Cb 0.21 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1yic h GLU 66 CO -0.00 0.60 -0.43 -0.92 0.07 0.00 0.00 179.01 178.32 1yic h TYR 67 N 0.93 -1.13 -0.64 2.06 3.20 -0.86 -3.12 116.97 117.41 1yic h TYR 67 Ca 0.26 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.15 1yic h TYR 67 Cb -0.09 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1yic h TYR 67 CO -0.03 -0.69 0.42 -0.07 -1.64 0.00 0.00 178.16 176.16 1yic h LEU 68 N -1.18 0.60 -1.87 2.82 3.38 -0.40 0.21 115.31 118.88 1yic h LEU 68 Ca -0.12 -0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.24 1yic h LEU 68 Cb 0.91 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 1yic h LEU 68 CO 0.17 0.41 0.94 0.74 0.09 0.00 0.00 178.44 180.79 1yic h THR 69 N 0.69 0.32 -0.47 0.22 2.02 -1.05 0.24 112.91 114.88 1yic h THR 69 Ca 0.26 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1yic h THR 69 Cb 0.17 0.26 -0.16 0.00 -1.74 0.00 0.00 68.15 66.68 1yic h THR 69 CO -0.08 0.01 -0.24 0.21 0.37 0.00 0.00 175.52 175.79 1yic s ASN 70 N -4.87 -0.69 0.00 4.18 3.84 0.62 -3.89 114.94 114.13 1yic s ASN 70 Ca -0.06 -0.68 0.00 0.00 0.21 0.00 0.00 52.86 52.34 1yic s ASN 70 Cb 0.25 0.90 0.00 0.00 -0.55 0.00 0.00 41.25 41.85 1yic s ASN 70 CO 0.82 -0.04 0.59 -0.81 -2.79 0.00 0.00 177.10 174.87 1yic n PRO 71 N 3.08 0.42 0.00 0.43 -0.04 -0.46 -1.95 135.00 136.48 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 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1yic n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yic n LYS 73 N 1.18 0.00 0.14 0.54 4.81 -1.26 -0.58 118.16 122.99 1yic n LYS 73 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1yic n LYS 73 Cb 0.21 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.19 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 -0.37 -3.34 5.64 5.03 -1.72 -3.35 116.97 118.85 1yic h TYR 74 Ca 0.00 -0.00 -0.70 0.00 2.58 0.00 0.00 58.73 60.61 1yic h TYR 74 Cb 0.00 0.14 -0.36 0.00 1.55 0.00 0.00 36.73 38.06 1yic h TYR 74 CO 0.00 -0.22 -0.19 0.42 -1.32 0.00 0.00 178.16 176.84 1yic s ILE 75 N -6.13 4.10 -0.82 1.81 1.01 0.26 -5.03 121.20 116.39 1yic s ILE 75 Ca -0.15 -3.73 -0.25 0.00 0.00 0.00 0.00 60.65 56.52 1yic s ILE 75 Cb 0.06 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 1yic s ILE 75 CO 0.65 -1.04 2.09 -2.16 0.00 0.00 0.00 174.94 174.48 1yic s PRO 76 N -1.11 2.27 0.00 2.79 0.04 -1.26 -1.25 135.00 136.48 1yic s PRO 76 Ca 0.25 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1yic s PRO 76 Cb -0.09 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1yic s PRO 76 CO -0.11 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.74 1yic n GLY 77 N 6.67 0.90 3.50 0.56 0.00 -1.26 -4.98 105.19 110.58 1yic n GLY 77 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 2.46 -0.47 2.61 5.66 -0.38 -4.82 114.28 119.35 1yic n THR 78 Ca 0.00 -0.50 -0.04 0.00 -3.05 0.00 0.00 64.05 60.46 1yic n THR 78 Cb 0.00 -0.77 0.23 0.00 -1.55 0.00 0.00 70.33 68.24 1yic n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1yic n LYS 79 N -0.14 3.11 -1.52 1.09 5.02 -1.26 -4.71 118.16 119.75 1yic n LYS 79 Ca 0.12 -2.26 -0.13 0.00 -2.02 0.00 0.00 58.31 54.02 1yic n LYS 79 Cb 0.46 -1.98 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 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 0.02 0.29 -0.43 1.97 2.81 -1.26 -4.77 117.12 115.74 1yic n MET 80 Ca 0.29 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.14 1yic n MET 80 Cb 1.10 -3.36 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 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 17.05 3.70 -2.62 3.04 0.00 -1.26 -4.91 120.51 135.51 1yic n ALA 81 Ca 0.43 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 1yic n ALA 81 Cb 0.42 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 0.16 3.61 0.21 0.00 5.36 -1.26 -5.00 117.98 121.06 1yic s PHE 82 Ca 0.00 0.76 -0.20 0.00 -0.96 0.00 0.00 56.93 56.53 1yic s PHE 82 Cb 0.00 -2.13 0.18 0.00 -0.34 0.00 0.00 43.02 40.73 1yic s PHE 82 CO 0.00 0.57 1.56 0.78 -1.46 0.00 0.00 175.22 176.67 1yic h GLY 83 N 3.99 -0.07 0.00 13.12 0.00 -1.96 -3.45 103.07 114.69 1yic h GLY 83 Ca -0.50 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1yic h GLY 83 CO 0.65 -0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1yic n GLY 84 N -1.44 0.47 2.64 4.60 0.00 -1.26 -4.83 105.19 105.37 1yic n GLY 84 Ca 0.08 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.73 3.58 0.00 0.99 4.77 0.84 -4.81 117.00 121.65 1yic n LEU 85 Ca 0.00 -5.19 0.06 0.00 -0.03 0.00 0.00 56.01 50.85 1yic n LEU 85 Cb 0.00 -0.20 0.30 0.00 -2.33 0.00 0.00 43.42 41.20 1yic n LEU 85 CO 0.00 2.21 0.62 1.17 -1.33 0.00 0.00 177.39 180.06 1yic n LYS 86 N -0.21 0.21 0.17 3.23 0.00 -1.25 -3.32 118.16 116.99 1yic n LYS 86 Ca 0.30 0.14 0.15 0.00 0.00 0.00 0.00 58.31 58.90 1yic n LYS 86 Cb 0.57 -1.50 0.54 0.00 0.00 0.00 0.00 35.03 34.64 1yic n LYS 86 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1yic h LYS 87 N 0.00 0.00 0.00 1.64 1.79 -1.94 -3.45 116.57 114.61 1yic h LYS 87 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1yic h LYS 87 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1yic h LYS 87 CO 0.00 0.00 0.00 -1.91 -1.08 0.00 0.00 179.45 176.46 1yic n GLU 88 N -3.07 0.00 -0.04 3.15 2.13 -1.21 -4.29 120.64 117.31 1yic n GLU 88 Ca 0.05 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.78 1yic n GLU 88 Cb 0.79 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.47 1yic n GLU 88 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yic n LYS 89 N 0.00 0.28 -0.30 5.31 4.81 -1.26 -4.64 118.16 122.35 1yic n LYS 89 Ca 0.00 0.12 0.22 0.00 -0.87 0.00 0.00 58.31 57.78 1yic n LYS 89 Cb 0.00 -0.98 0.53 0.00 0.02 0.00 0.00 35.03 34.60 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 -0.50 0.40 -0.48 3.14 3.32 -1.92 0.44 116.42 120.83 1yic h ASP 90 Ca -0.16 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.05 1yic h ASP 90 Cb 0.87 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.32 1yic h ASP 90 CO -0.10 0.11 -0.20 0.08 -1.72 0.00 0.00 179.24 177.41 1yic h ARG 91 N 0.37 -0.09 -0.08 3.56 0.11 -1.84 -0.06 114.38 116.36 1yic h ARG 91 Ca 0.55 0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.64 1yic h ARG 91 Cb 1.45 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.55 1yic h ARG 91 CO -0.24 -0.06 0.03 -0.91 0.10 0.00 0.00 179.97 178.90 1yic h ASN 92 N -0.09 0.11 -0.70 0.08 -0.26 -0.38 0.16 115.58 114.49 1yic h ASN 92 Ca 0.23 -0.15 0.12 0.00 -0.56 0.00 0.00 56.30 55.94 1yic h ASN 92 Cb 0.45 -0.03 -0.13 0.00 -1.06 0.00 0.00 38.32 37.55 1yic h ASN 92 CO -0.55 0.23 -0.33 0.44 -1.06 0.00 0.00 177.43 176.16 1yic h ASP 93 N -0.02 -1.17 0.53 5.81 5.19 -1.23 0.67 116.42 126.21 1yic h ASP 93 Ca 0.03 0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 1yic h ASP 93 Cb 0.15 0.60 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 1yic h ASP 93 CO -0.00 -0.30 -0.31 0.25 -3.12 0.00 0.00 179.24 175.77 1yic h LEU 94 N -0.11 -0.75 -0.57 1.55 5.85 0.16 -0.11 115.31 121.32 1yic h LEU 94 Ca 0.27 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.12 1yic h LEU 94 Cb 0.56 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 1yic h LEU 94 CO -0.76 -0.49 0.22 0.40 -0.34 0.00 0.00 178.44 177.47 1yic h ILE 95 N -0.79 0.80 -0.21 4.05 5.03 -0.10 0.17 117.51 126.46 1yic h ILE 95 Ca -0.07 -0.14 0.01 0.00 -0.12 0.00 0.00 64.86 64.55 1yic h ILE 95 Cb 0.63 0.36 -0.02 0.00 -3.03 0.00 0.00 36.82 34.77 1yic h ILE 95 CO 0.08 0.07 0.11 0.71 -0.68 0.00 0.00 178.15 178.44 1yic h THR 96 N 0.41 1.00 -0.35 -0.27 1.35 -0.79 -1.87 112.91 112.38 1yic h THR 96 Ca 0.28 -0.08 0.08 0.00 -0.55 0.00 0.00 66.41 66.14 1yic h THR 96 Cb 0.32 0.75 -0.08 0.00 -1.73 0.00 0.00 68.15 67.41 1yic h THR 96 CO -0.28 0.04 -0.24 0.22 -0.25 0.00 0.00 175.52 175.01 1yic h TYR 97 N 0.23 -0.63 -0.53 4.73 3.20 -0.11 -2.21 116.97 121.64 1yic h TYR 97 Ca 0.09 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.10 1yic h TYR 97 Cb 0.02 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 38.54 1yic h TYR 97 CO -0.09 -0.32 0.09 -0.07 -1.64 0.00 0.00 178.16 176.13 1yic h LEU 98 N -0.19 -0.05 -0.10 2.82 3.38 -0.13 0.21 115.31 121.25 1yic h LEU 98 Ca 0.17 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.27 1yic h LEU 98 Cb 0.47 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1yic h LEU 98 CO -0.47 -0.00 -0.52 0.50 0.09 0.00 0.00 178.44 178.05 1yic h LYS 99 N 0.22 -0.55 -0.39 1.13 1.63 -0.83 0.19 116.57 117.97 1yic h LYS 99 Ca 0.27 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 60.13 1yic h LYS 99 Cb 0.39 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 1yic h LYS 99 CO -0.37 -0.37 0.22 -0.22 -3.45 0.00 0.00 179.45 175.25 1yic h LYS 100 N -0.57 0.43 -0.06 1.90 3.64 -0.65 -0.17 116.57 121.08 1yic h LYS 100 Ca 0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1yic h LYS 100 Cb 0.66 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1yic h LYS 100 CO -0.40 0.28 -0.25 0.00 -2.27 0.00 0.00 179.45 176.81 1yic h ALA 101 N 1.18 1.48 0.19 5.00 0.00 -0.42 -2.99 119.26 123.71 1yic h ALA 101 Ca 0.16 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 1yic h ALA 101 Cb 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.78 1yic h ALA 101 CO -0.09 0.38 -1.35 0.66 0.00 0.00 0.00 179.25 178.85 1yic h SER 102 N 0.09 0.62 0.00 0.00 4.64 0.13 -3.47 113.55 115.56 1yic h SER 102 Ca 0.01 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1yic h SER 102 Cb 0.50 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1yic h SER 102 CO 0.04 1.52 0.00 -0.62 -0.87 0.00 0.00 176.83 176.90