#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 0.25 0.00 -0.78 2.56 -1.26 -5.03 118.70 114.44 1yic s GLU -4 Ca 0.00 0.31 0.11 0.00 0.00 0.00 0.00 54.97 55.39 1yic s GLU -4 Cb 0.00 0.16 0.54 0.00 2.00 0.00 0.00 34.13 36.82 1yic s GLU -4 CO 0.00 -0.40 1.24 1.97 -0.56 0.00 0.00 175.26 177.50 1yic n PHE -3 N 5.28 0.00 -1.50 5.30 -1.74 -1.26 -4.97 117.46 118.57 1yic n PHE -3 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.93 1yic n PHE -3 Cb 0.56 -0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.27 1yic n PHE -3 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1yic n LYS -2 N -1.29 -2.77 -2.42 3.97 4.01 -1.26 -4.94 118.16 113.46 1yic n LYS -2 Ca 0.05 2.23 -0.43 0.00 -0.51 0.00 0.00 58.31 59.65 1yic n LYS -2 Cb 0.09 -2.43 -0.02 0.00 -0.51 0.00 0.00 35.03 32.15 1yic n LYS -2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1yic s ALA -1 N -0.29 3.59 0.34 7.82 0.00 -1.26 -4.99 121.76 126.98 1yic s ALA -1 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1yic s ALA -1 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1yic s ALA -1 CO 0.00 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1yic n GLY 1 N 3.52 1.00 3.47 0.00 0.00 -1.26 -4.99 105.19 106.93 1yic n GLY 1 Ca 0.13 -1.90 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 1yic n GLY 1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yic s SER 2 N -1.00 7.01 0.27 1.61 1.04 -1.26 -4.81 113.70 116.56 1yic s SER 2 Ca 0.00 -2.85 0.07 0.00 0.48 0.00 0.00 55.95 53.66 1yic s SER 2 Cb 0.00 -2.42 0.80 0.00 0.10 0.00 0.00 66.02 64.51 1yic s SER 2 CO 0.00 -0.82 1.29 0.00 0.98 0.00 0.00 173.24 174.69 1yic n ALA 3 N 5.99 0.58 -0.36 5.32 0.00 -1.26 -0.40 120.51 130.38 1yic n ALA 3 Ca 0.36 0.86 0.26 0.00 0.00 0.00 0.00 53.44 54.92 1yic n ALA 3 Cb 0.44 -0.71 0.52 0.00 0.00 0.00 0.00 19.45 19.69 1yic n ALA 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1yic h LYS 4 N 0.00 0.32 -0.09 0.00 2.10 -1.89 0.28 116.57 117.30 1yic h LYS 4 Ca 0.57 -0.02 -0.23 0.00 -2.00 0.00 0.00 60.65 58.97 1yic h LYS 4 Cb 1.33 -0.07 0.01 0.00 -0.90 0.00 0.00 32.23 32.60 1yic h LYS 4 CO -0.72 0.21 -0.85 0.87 -2.00 0.00 0.00 179.45 176.96 1yic h LYS 5 N 0.33 0.73 -0.92 0.07 1.79 -1.05 -3.25 116.57 114.26 1yic h LYS 5 Ca 0.69 -0.67 0.26 0.00 -2.18 0.00 0.00 60.65 58.75 1yic h LYS 5 Cb 1.77 0.16 -0.16 0.00 -1.58 0.00 0.00 32.23 32.42 1yic h LYS 5 CO -0.43 1.27 0.18 0.78 -1.08 0.00 0.00 179.45 180.16 1yic h GLY 6 N 0.43 1.36 -0.18 3.86 0.00 -0.45 0.38 103.07 108.47 1yic h GLY 6 Ca -0.08 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1yic h GLY 6 CO 0.17 -0.45 -0.54 0.00 0.00 0.00 0.00 176.54 175.73 1yic h ALA 7 N 1.86 -0.87 -0.59 3.60 0.00 -1.44 0.20 119.26 122.02 1yic h ALA 7 Ca 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1yic h ALA 7 Cb 1.22 1.03 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 1yic h ALA 7 CO -0.76 -1.07 0.31 1.79 0.00 0.00 0.00 179.25 179.52 1yic h THR 8 N -0.53 1.20 -0.78 0.00 1.35 -1.19 -0.31 112.91 112.64 1yic h THR 8 Ca 0.04 -0.53 0.16 0.00 -0.55 0.00 0.00 66.41 65.54 1yic h THR 8 Cb 0.65 0.46 -0.11 0.00 -1.73 0.00 0.00 68.15 67.43 1yic h THR 8 CO -0.46 0.22 0.28 -0.07 -0.25 0.00 0.00 175.52 175.24 1yic h LEU 9 N 0.80 0.21 -0.19 3.87 -0.00 -0.49 0.36 115.31 119.88 1yic h LEU 9 Ca 0.21 0.13 -0.21 0.00 -0.00 0.00 0.00 57.88 58.01 1yic h LEU 9 Cb 0.07 0.13 0.01 0.00 -0.00 0.00 0.00 40.66 40.87 1yic h LEU 9 CO -0.03 0.04 -0.69 0.15 -0.00 0.00 0.00 178.44 177.91 1yic h PHE 10 N 0.38 1.05 0.00 1.13 3.04 -0.04 0.40 116.94 122.91 1yic h PHE 10 Ca 0.45 -0.44 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1yic h PHE 10 Cb 0.74 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1yic h PHE 10 CO -0.19 1.27 -0.28 0.87 -2.02 0.00 0.00 178.31 177.96 1yic h LYS 11 N 0.54 0.00 0.00 1.11 1.79 0.60 0.11 116.57 120.72 1yic h LYS 11 Ca -0.03 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.30 1yic h LYS 11 Cb 1.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1yic h LYS 11 CO 0.15 0.28 -1.85 -2.37 -1.08 0.00 0.00 179.45 174.58 1yic n THR 12 N -3.96 0.71 -3.07 -0.16 5.66 0.11 -4.68 114.28 108.89 1yic n THR 12 Ca -0.02 -0.64 -0.17 0.00 -3.05 0.00 0.00 64.05 60.17 1yic n THR 12 Cb 0.35 -0.33 -0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1yic n THR 12 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1yic n ARG 13 N -2.58 0.93 0.01 1.09 1.74 0.14 -4.95 116.66 113.04 1yic n ARG 13 Ca -0.12 -2.97 0.00 0.00 -0.77 0.00 0.00 57.85 53.99 1yic n ARG 13 Cb 0.78 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 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 -2.66 0.03 -0.23 0.00 7.94 -0.26 -0.33 117.00 121.49 1yic n LEU 15 Ca 0.00 0.45 -0.07 0.00 -1.11 0.00 0.00 56.01 55.28 1yic n LEU 15 Cb 0.00 -0.45 0.04 0.00 0.53 0.00 0.00 43.42 43.54 1yic n LEU 15 CO 0.00 -0.46 1.01 0.06 -1.11 0.00 0.00 177.39 176.89 1yic h GLN 16 N 0.00 0.96 0.00 1.96 3.07 -1.84 -3.31 115.11 115.95 1yic h GLN 16 Ca 0.00 -0.17 -0.38 0.00 0.09 0.00 0.00 58.65 58.19 1yic h GLN 16 Cb 0.14 -0.16 -0.06 0.00 0.08 0.00 0.00 27.48 27.48 1yic h GLN 16 CO 0.00 0.80 -2.24 0.00 0.09 0.00 0.00 178.83 177.48 1yic n HIS 18 N -4.21 -3.59 -3.44 0.00 8.25 0.55 -4.02 115.22 108.75 1yic n HIS 18 Ca -0.46 -0.23 -0.13 0.00 -0.26 0.00 0.00 57.72 56.64 1yic n HIS 18 Cb 0.81 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.76 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 -0.74 0.00 -0.43 1.59 -4.23 -1.26 -4.25 115.64 106.32 1yic s THR 19 Ca 0.11 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1yic s THR 19 Cb -0.00 -1.00 0.59 0.00 1.34 0.00 0.00 72.50 73.42 1yic s THR 19 CO 0.07 -0.01 1.86 0.55 -0.54 0.00 0.00 174.62 176.55 1yic n VAL 20 N -0.15 3.06 -2.11 2.29 3.14 -1.26 -1.34 118.33 121.96 1yic n VAL 20 Ca -0.17 -1.84 -0.28 0.00 -2.96 0.00 0.00 64.34 59.08 1yic n VAL 20 Cb 0.64 -0.58 0.18 0.00 -1.06 0.00 0.00 33.84 33.01 1yic n VAL 20 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1yic s GLU 21 N -3.05 0.73 -1.29 1.45 2.02 -1.26 -4.58 118.70 112.72 1yic s GLU 21 Ca 0.53 -0.68 -0.16 0.00 0.02 0.00 0.00 54.97 54.67 1yic s GLU 21 Cb 0.44 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.71 1yic s GLU 21 CO 0.09 -2.28 2.10 1.17 0.02 0.00 0.00 175.26 176.36 1yic n LYS 22 N -3.59 2.58 0.00 1.61 4.81 -1.26 -3.92 118.16 118.39 1yic n LYS 22 Ca 0.16 -2.53 0.00 0.00 -0.87 0.00 0.00 58.31 55.08 1yic n LYS 22 Cb 0.60 -3.26 0.00 0.00 0.02 0.00 0.00 35.03 32.39 1yic n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yic n GLY 23 N 4.41 2.77 7.00 3.14 0.00 -1.26 -4.99 105.19 116.25 1yic n GLY 23 Ca 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.49 0.01 -0.02 0.00 -1.26 -3.41 105.19 101.01 1yic n GLY 24 Ca 0.00 -0.83 0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.36 0.17 -1.72 1.61 -0.04 -1.26 -4.91 135.00 128.48 1yic n PRO 25 Ca 0.00 -0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.28 1yic n PRO 25 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1yic n PRO 25 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1yic n HIS 26 N -1.39 -0.57 -1.62 0.54 8.25 -1.22 -4.92 115.22 114.29 1yic n HIS 26 Ca 0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 1yic n HIS 26 Cb 0.31 -2.91 0.03 0.00 1.12 0.00 0.00 29.99 28.54 1yic n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1yic n LYS 27 N -2.25 1.24 0.00 -0.41 2.85 -1.26 -3.88 118.16 114.45 1yic n LYS 27 Ca -0.16 0.46 0.00 0.00 -1.05 0.00 0.00 58.31 57.56 1yic n LYS 27 Cb 0.54 -2.14 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 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 -0.97 0.00 -3.77 0.58 0.31 -1.26 -4.42 118.33 108.80 1yic n VAL 28 Ca 0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.23 1yic n VAL 28 Cb 0.43 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.33 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 1.53 0.45 2.92 0.00 -1.25 -5.08 107.32 105.89 1yic s GLY 29 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 44.72 43.04 1yic s GLY 29 CO 0.00 -1.42 1.04 2.56 0.00 0.00 0.00 173.10 175.29 1yic s PRO 30 N -4.03 3.96 0.62 2.90 0.04 -1.26 -4.44 135.00 132.78 1yic s PRO 30 Ca 0.40 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 1yic s PRO 30 Cb -0.08 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1yic s PRO 30 CO 0.28 -0.31 1.26 0.09 0.04 0.00 0.00 177.00 178.36 1yic n ASN 31 N -0.58 1.99 -2.31 6.66 5.03 -1.26 -4.67 115.26 120.12 1yic n ASN 31 Ca 0.07 0.85 -0.34 0.00 0.87 0.00 0.00 54.58 56.04 1yic n ASN 31 Cb 0.51 -1.54 0.07 0.00 -1.02 0.00 0.00 39.78 37.81 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 -1.58 7.47 -4.53 3.41 4.32 -0.45 -4.88 117.00 120.76 1yic n LEU 32 Ca 0.15 -4.34 -0.22 0.00 -0.02 0.00 0.00 56.01 51.58 1yic n LEU 32 Cb 0.47 -0.92 -0.13 0.00 -1.62 0.00 0.00 43.42 41.22 1yic n LEU 32 CO 0.48 1.53 1.72 1.57 -1.22 0.00 0.00 177.39 181.48 1yic n HIS 33 N -0.90 0.74 -3.82 -1.77 -0.00 -1.25 -1.01 115.22 107.21 1yic n HIS 33 Ca 0.61 0.05 -0.36 0.00 0.46 0.00 0.00 57.72 58.48 1yic n HIS 33 Cb 0.68 -1.87 0.03 0.00 -0.12 0.00 0.00 29.99 28.71 1yic n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yic n GLY 34 N 6.23 -0.90 0.00 1.57 0.00 -1.26 -4.98 105.19 105.85 1yic n GLY 34 Ca 0.55 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1yic n GLY 34 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1yic n ILE 35 N -4.46 0.00 -3.54 -0.61 0.13 -0.18 -4.71 119.36 105.99 1yic n ILE 35 Ca -0.11 0.00 -0.22 0.00 -1.10 0.00 0.00 62.75 61.32 1yic n ILE 35 Cb 0.59 -0.48 0.05 0.00 -0.84 0.00 0.00 39.64 38.96 1yic n ILE 35 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1yic n PHE 36 N -0.28 -2.10 0.00 9.51 3.72 -1.26 -4.75 117.46 122.31 1yic n PHE 36 Ca 0.00 0.75 0.00 0.00 -0.05 0.00 0.00 57.45 58.15 1yic n PHE 36 Cb 0.00 -4.12 0.00 0.00 -0.94 0.00 0.00 39.48 34.42 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 -1.46 -0.15 3.92 1.37 0.00 0.62 -4.74 105.19 104.74 1yic n GLY 37 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.70 1.25 0.79 1.61 3.00 -1.26 -4.54 118.95 118.10 1yic s ARG 38 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 55.73 55.44 1yic s ARG 38 Cb 0.00 -1.89 0.07 0.00 0.00 0.00 0.00 34.95 33.12 1yic s ARG 38 CO 0.00 -2.04 1.13 -1.01 0.00 0.00 0.00 175.30 173.38 1yic s HIS 39 N -3.75 2.95 -0.40 -0.53 3.76 -1.26 -1.07 115.29 114.99 1yic s HIS 39 Ca 0.68 0.96 -0.28 0.00 -0.15 0.00 0.00 55.06 56.28 1yic s HIS 39 Cb -0.07 -3.25 -0.03 0.00 1.11 0.00 0.00 32.58 30.34 1yic s HIS 39 CO 0.51 -1.71 1.91 -1.54 -0.85 0.00 0.00 174.74 173.06 1yic s SER 40 N -4.24 5.57 0.00 1.40 1.04 0.17 -3.54 113.70 114.10 1yic s SER 40 Ca 0.61 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.14 1yic s SER 40 Cb -0.13 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1yic s SER 40 CO 0.52 -2.00 0.00 0.61 0.98 0.00 0.00 173.24 173.35 1yic n GLY 41 N 5.57 0.72 2.34 7.32 0.00 -1.26 -3.82 105.19 116.06 1yic n GLY 41 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 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 1.41 -3.17 1.61 6.02 -1.23 -4.99 117.38 117.03 1yic n GLN 42 Ca 0.00 -3.68 -0.22 0.00 -0.01 0.00 0.00 57.00 53.09 1yic n GLN 42 Cb 0.00 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.51 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 -2.42 3.87 0.43 -1.58 0.00 -1.26 -5.01 121.76 115.79 1yic s ALA 43 Ca 0.41 -1.14 0.14 0.00 0.00 0.00 0.00 51.96 51.37 1yic s ALA 43 Cb 0.30 -2.02 1.04 0.00 0.00 0.00 0.00 23.12 22.44 1yic s ALA 43 CO -0.09 -0.24 1.97 0.93 0.00 0.00 0.00 175.76 178.33 1yic h GLU 44 N 0.57 0.39 0.00 0.00 5.08 -1.92 -3.44 114.58 115.26 1yic h GLU 44 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1yic h GLU 44 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1yic h GLU 44 CO 0.57 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 179.25 1yic n GLY 45 N -1.52 4.25 0.46 -3.84 0.00 -1.26 -5.14 105.19 98.14 1yic n GLY 45 Ca 0.10 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.64 1yic n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yic n TYR 46 N 0.00 -1.21 0.05 1.61 9.36 -1.26 -4.88 117.16 120.83 1yic n TYR 46 Ca 0.00 0.64 0.03 0.00 3.32 0.00 0.00 57.90 61.90 1yic n TYR 46 Cb 0.00 -1.10 -0.05 0.00 -0.63 0.00 0.00 39.34 37.56 1yic n TYR 46 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1yic n SER 47 N -3.01 2.86 -0.54 2.98 7.64 -1.26 -5.06 113.62 117.24 1yic n SER 47 Ca -0.02 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1yic n SER 47 Cb 0.22 1.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 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 -1.64 -1.49 -4.35 1.43 4.01 -1.26 -4.89 117.16 108.98 1yic n TYR 48 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 1yic n TYR 48 Cb 0.17 0.23 -0.12 0.00 -0.31 0.00 0.00 39.34 39.31 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 0.00 1.97 0.25 -0.72 -4.23 -1.26 -5.03 115.64 106.62 1yic s THR 49 Ca 0.00 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.67 1yic s THR 49 Cb 0.00 -1.84 0.24 0.00 1.34 0.00 0.00 72.50 72.24 1yic s THR 49 CO 0.00 -0.12 1.69 0.44 -0.54 0.00 0.00 174.62 176.09 1yic h ASP 50 N 3.61 0.05 0.59 3.99 3.32 -1.90 0.65 116.42 126.73 1yic h ASP 50 Ca -0.46 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1yic h ASP 50 Cb 1.19 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1yic h ASP 50 CO 0.45 -0.02 -0.42 0.00 -1.72 0.00 0.00 179.24 177.52 1yic h ALA 51 N 1.61 -1.18 -0.16 3.45 0.00 -1.84 0.22 119.26 121.36 1yic h ALA 51 Ca 0.43 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1yic h ALA 51 Cb 0.73 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1yic h ALA 51 CO -0.50 -1.16 -0.16 -0.97 0.00 0.00 0.00 179.25 176.45 1yic h ASN 52 N -0.97 -0.51 0.82 0.00 -0.73 -1.72 -0.94 115.58 111.53 1yic h ASN 52 Ca -0.08 0.10 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 1yic h ASN 52 Cb 0.79 0.25 0.01 0.00 0.27 0.00 0.00 38.32 39.64 1yic h ASN 52 CO 0.04 -0.21 -0.40 0.40 -0.37 0.00 0.00 177.43 176.89 1yic h ILE 53 N -0.19 0.19 -0.38 2.57 2.04 -0.84 -3.23 117.51 117.67 1yic h ILE 53 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1yic h ILE 53 Cb 0.35 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1yic h ILE 53 CO -0.27 0.00 0.16 0.50 0.00 0.00 0.00 178.15 178.54 1yic h LYS 54 N -1.11 0.56 -6.30 2.37 3.11 -0.53 -3.39 116.57 111.29 1yic h LYS 54 Ca -0.11 -0.10 -0.57 0.00 -2.81 0.00 0.00 60.65 57.06 1yic h LYS 54 Cb 0.85 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.95 1yic h LYS 54 CO 0.18 0.53 1.18 0.21 -2.81 0.00 0.00 179.45 178.74 1yic s LYS 55 N -5.60 3.61 -1.55 1.90 2.47 -0.36 -4.88 119.74 115.32 1yic s LYS 55 Ca -0.13 1.52 -0.11 0.00 -1.56 0.00 0.00 55.97 55.68 1yic s LYS 55 Cb 0.10 -4.09 -0.03 0.00 -1.46 0.00 0.00 37.83 32.34 1yic s LYS 55 CO 0.75 -1.52 2.66 0.09 0.16 0.00 0.00 175.35 177.49 1yic n ASN 56 N 9.14 6.91 -4.58 1.43 4.13 -1.26 -4.45 115.26 126.57 1yic n ASN 56 Ca 0.20 -2.69 -0.43 0.00 1.68 0.00 0.00 54.58 53.34 1yic n ASN 56 Cb 0.46 -1.59 -0.04 0.00 -1.54 0.00 0.00 39.78 37.07 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 2.42 4.59 -0.18 2.41 1.01 -1.26 -4.82 120.40 124.56 1yic s VAL 57 Ca 0.61 0.95 -0.26 0.00 0.00 0.00 0.00 61.98 63.27 1yic s VAL 57 Cb 0.16 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1yic s VAL 57 CO -0.07 -0.61 0.88 -0.22 0.00 0.00 0.00 175.10 175.09 1yic s LEU 58 N 3.46 4.16 -0.31 3.92 2.96 -1.26 0.43 118.68 132.04 1yic s LEU 58 Ca 0.36 1.23 -0.29 0.00 -0.22 0.00 0.00 54.13 55.21 1yic s LEU 58 Cb -0.12 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.26 1yic s LEU 58 CO 0.21 -0.46 1.25 0.26 -1.32 0.00 0.00 176.35 176.28 1yic s TRP 59 N 2.39 2.79 0.00 5.38 0.23 -0.23 -4.54 118.94 124.95 1yic s TRP 59 Ca 0.40 0.93 0.04 0.00 -2.03 0.00 0.00 56.10 55.44 1yic s TRP 59 Cb -0.16 -3.88 0.07 0.00 0.03 0.00 0.00 33.47 29.52 1yic s TRP 59 CO 0.11 -1.50 0.85 -3.47 0.96 0.00 0.00 176.95 173.91 1yic n ASP 60 N 7.46 -0.17 0.00 2.95 -0.08 -1.26 -0.28 116.55 125.17 1yic n ASP 60 Ca 0.14 -1.65 0.00 0.00 -1.51 0.00 0.00 54.79 51.77 1yic n ASP 60 Cb 0.47 0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1yic n ASP 60 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1yic n GLU 61 N 0.08 0.00 -0.36 -0.67 1.02 -1.26 -4.22 120.64 115.23 1yic n GLU 61 Ca -0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1yic n GLU 61 Cb 0.70 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.22 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 1.09 0.00 1.62 -0.73 -1.96 0.15 115.58 115.75 1yic h ASN 62 Ca 0.00 -0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.14 1yic h ASN 62 Cb 0.00 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.32 1yic h ASN 62 CO 0.00 0.79 -0.06 -1.13 -0.37 0.00 0.00 177.43 176.66 1yic h ASN 63 N 1.29 0.00 -0.94 1.15 -1.24 -1.84 -3.39 115.58 110.62 1yic h ASN 63 Ca 0.35 -0.23 0.18 0.00 0.71 0.00 0.00 56.30 57.31 1yic h ASN 63 Cb -0.13 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 38.84 1yic h ASN 63 CO -0.08 0.65 0.60 -0.03 -1.29 0.00 0.00 177.43 177.28 1yic h MET 64 N -1.00 0.60 -0.81 6.67 4.05 -1.78 -0.60 114.93 122.07 1yic h MET 64 Ca -0.01 -0.04 0.15 0.00 -0.28 0.00 0.00 59.70 59.53 1yic h MET 64 Cb 0.28 -0.14 -0.15 0.00 -0.80 0.00 0.00 31.60 30.80 1yic h MET 64 CO -0.00 0.40 -0.26 0.77 0.23 0.00 0.00 176.91 178.04 1yic h SER 65 N 0.62 -0.96 -0.78 1.39 0.02 -0.87 0.36 113.55 113.32 1yic h SER 65 Ca 0.50 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.68 1yic h SER 65 Cb 0.93 0.57 -0.04 0.00 0.14 0.00 0.00 62.40 64.00 1yic h SER 65 CO -0.25 -0.28 0.40 -0.33 -1.14 0.00 0.00 176.83 175.23 1yic h GLU 66 N -0.03 1.11 0.20 3.45 4.39 -1.32 0.11 114.58 122.49 1yic h GLU 66 Ca 0.36 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1yic h GLU 66 Cb 0.59 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1yic h GLU 66 CO -0.84 0.84 -0.11 -0.92 -1.16 0.00 0.00 179.01 176.83 1yic h TYR 67 N 1.09 -0.28 -0.77 4.33 3.20 -0.77 -2.82 116.97 120.96 1yic h TYR 67 Ca 0.27 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.18 1yic h TYR 67 Cb 0.08 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 1yic h TYR 67 CO 0.01 -0.16 0.51 -0.07 -1.64 0.00 0.00 178.16 176.80 1yic h LEU 68 N -0.28 0.78 -1.43 2.82 3.38 -0.33 0.37 115.31 120.62 1yic h LEU 68 Ca -0.03 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.10 1yic h LEU 68 Cb 0.22 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1yic h LEU 68 CO 0.04 0.53 0.56 0.74 0.09 0.00 0.00 178.44 180.40 1yic h THR 69 N 0.90 0.77 -0.74 0.22 2.02 -0.82 0.25 112.91 115.52 1yic h THR 69 Ca 0.31 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 1yic h THR 69 Cb 0.11 0.20 -0.16 0.00 -1.74 0.00 0.00 68.15 66.56 1yic h THR 69 CO -0.10 0.10 -0.37 0.21 0.37 0.00 0.00 175.52 175.73 1yic s ASN 70 N -5.77 -1.07 0.00 4.18 3.84 0.76 -3.55 114.94 113.33 1yic s ASN 70 Ca -0.09 -1.22 0.00 0.00 0.21 0.00 0.00 52.86 51.76 1yic s ASN 70 Cb 0.22 1.40 0.00 0.00 -0.55 0.00 0.00 41.25 42.32 1yic s ASN 70 CO 0.78 -0.04 1.15 -0.81 -2.79 0.00 0.00 177.10 175.39 1yic n PRO 71 N 2.93 0.64 0.00 0.43 -0.04 0.94 -1.76 135.00 138.14 1yic n PRO 71 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1yic n PRO 71 Cb 0.59 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 1.49 0.00 -0.26 0.54 3.00 -1.26 -0.31 118.16 121.36 1yic n LYS 73 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 1yic n LYS 73 Cb 0.32 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.45 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1yic h TYR 74 N 0.00 0.82 -3.26 5.64 3.20 -1.67 -3.33 116.97 118.36 1yic h TYR 74 Ca 0.00 0.02 -0.63 0.00 3.14 0.00 0.00 58.73 61.26 1yic h TYR 74 Cb 0.00 -0.26 -0.41 0.00 1.54 0.00 0.00 36.73 37.60 1yic h TYR 74 CO 0.00 0.43 -0.65 0.42 -1.64 0.00 0.00 178.16 176.72 1yic s ILE 75 N -6.10 2.32 -0.70 1.81 1.01 0.58 -5.06 121.20 115.06 1yic s ILE 75 Ca -0.13 -3.21 -0.26 0.00 0.00 0.00 0.00 60.65 57.06 1yic s ILE 75 Cb 0.16 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1yic s ILE 75 CO 0.77 -0.84 1.98 -2.16 0.00 0.00 0.00 174.94 174.70 1yic s PRO 76 N -0.22 2.48 0.00 2.79 0.04 -1.25 -1.54 135.00 137.29 1yic s PRO 76 Ca 0.18 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1yic s PRO 76 Cb -0.24 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1yic s PRO 76 CO -0.01 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 174.34 1yic n GLY 77 N 6.15 1.87 1.39 0.56 0.00 -1.26 -4.73 105.19 109.17 1yic n GLY 77 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.29 0.67 -0.02 2.61 5.66 -0.59 -4.72 114.28 117.60 1yic n THR 78 Ca 0.00 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1yic n THR 78 Cb 0.00 -0.98 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 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 1.28 0.00 -3.92 1.09 2.85 -1.26 -4.77 118.16 113.43 1yic n LYS 79 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 1yic n LYS 79 Cb 0.22 -0.06 -0.15 0.00 -0.65 0.00 0.00 35.03 34.39 1yic n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1yic s MET 80 N 0.05 1.24 -1.02 -1.58 1.75 -1.26 -4.99 119.30 113.49 1yic s MET 80 Ca 0.00 -1.56 -0.07 0.00 -1.25 0.00 0.00 55.69 52.81 1yic s MET 80 Cb 0.00 -2.77 -0.03 0.00 2.84 0.00 0.00 34.83 34.87 1yic s MET 80 CO 0.00 -0.93 2.88 0.00 -0.65 0.00 0.00 175.02 176.32 1yic n ALA 81 N 4.47 6.92 -2.52 4.11 0.00 -1.26 -4.92 120.51 127.31 1yic n ALA 81 Ca 0.01 -3.29 -0.35 0.00 0.00 0.00 0.00 53.44 49.81 1yic n ALA 81 Cb 0.42 -2.77 -0.05 0.00 0.00 0.00 0.00 19.45 17.04 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 0.24 3.59 0.12 0.00 5.36 -1.26 -5.00 117.98 121.03 1yic s PHE 82 Ca 0.63 0.86 -0.23 0.00 -0.96 0.00 0.00 56.93 57.22 1yic s PHE 82 Cb 0.24 -2.21 -0.05 0.00 -0.34 0.00 0.00 43.02 40.66 1yic s PHE 82 CO -0.09 0.49 1.67 0.78 -1.46 0.00 0.00 175.22 176.62 1yic h GLY 83 N 3.66 -0.16 0.00 13.12 0.00 -1.97 -3.47 103.07 114.25 1yic h GLY 83 Ca -0.49 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1yic h GLY 83 CO 0.66 -0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.66 1yic n GLY 84 N -1.29 0.80 2.30 4.60 0.00 -1.26 -4.89 105.19 105.44 1yic n GLY 84 Ca -0.04 -1.82 -0.25 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.56 1.87 -2.11 0.99 4.77 0.89 -4.94 117.00 117.91 1yic n LEU 85 Ca 0.00 -5.05 -0.18 0.00 -0.03 0.00 0.00 56.01 50.76 1yic n LEU 85 Cb 0.00 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1yic n LEU 85 CO 0.00 2.06 1.43 2.29 -1.33 0.00 0.00 177.39 181.84 1yic n LYS 86 N 1.14 1.99 -3.54 3.23 -0.00 -1.26 -4.07 118.16 115.67 1yic n LYS 86 Ca 0.25 -1.56 -0.04 0.00 -0.00 0.00 0.00 58.31 56.96 1yic n LYS 86 Cb 0.47 -1.84 -0.06 0.00 -0.00 0.00 0.00 35.03 33.60 1yic n LYS 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1yic s LYS 87 N -0.91 0.46 0.12 -1.58 2.36 -1.26 -5.07 119.74 113.85 1yic s LYS 87 Ca 0.47 1.12 -0.29 0.00 -2.55 0.00 0.00 55.97 54.72 1yic s LYS 87 Cb 0.29 0.46 -0.07 0.00 -1.05 0.00 0.00 37.83 37.45 1yic s LYS 87 CO -0.09 -0.34 1.60 1.49 1.55 0.00 0.00 175.35 179.56 1yic h GLU 88 N 8.09 -0.54 0.12 4.03 4.57 -1.98 0.99 114.58 129.86 1yic h GLU 88 Ca -0.18 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1yic h GLU 88 Cb 1.12 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1yic h GLU 88 CO 0.15 -0.36 -0.13 -0.22 -1.18 0.00 0.00 179.01 177.28 1yic h LYS 89 N -0.56 -0.25 -0.80 1.92 3.11 -1.98 0.35 116.57 118.37 1yic h LYS 89 Ca 0.05 0.02 0.08 0.00 -2.81 0.00 0.00 60.65 57.98 1yic h LYS 89 Cb 0.62 0.06 -0.10 0.00 -1.00 0.00 0.00 32.23 31.80 1yic h LYS 89 CO -0.27 -0.16 -0.55 -0.44 -2.81 0.00 0.00 179.45 175.21 1yic h ASP 90 N -0.26 -1.99 0.31 4.20 5.19 -1.97 0.14 116.42 122.04 1yic h ASP 90 Ca -0.01 0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1yic h ASP 90 Cb 0.22 0.86 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 1yic h ASP 90 CO -0.02 -0.26 -0.27 -0.09 -3.12 0.00 0.00 179.24 175.47 1yic h ARG 91 N -0.10 -0.57 0.58 3.56 2.43 -0.62 0.08 114.38 119.72 1yic h ARG 91 Ca 0.13 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1yic h ARG 91 Cb 0.44 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1yic h ARG 91 CO -0.81 -0.38 -0.40 -0.97 -1.51 0.00 0.00 179.97 175.90 1yic h ASN 92 N -0.60 -1.05 -0.89 -3.80 -1.24 -0.02 0.18 115.58 108.18 1yic h ASN 92 Ca -0.02 0.07 0.20 0.00 0.71 0.00 0.00 56.30 57.26 1yic h ASN 92 Cb 0.53 0.32 -0.16 0.00 0.73 0.00 0.00 38.32 39.74 1yic h ASN 92 CO -0.03 -0.59 -0.12 0.44 -1.29 0.00 0.00 177.43 175.83 1yic h ASP 93 N -0.93 -0.66 0.75 1.15 3.32 -0.70 0.22 116.42 119.56 1yic h ASP 93 Ca -0.08 0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1yic h ASP 93 Cb 0.76 0.50 0.01 0.00 0.22 0.00 0.00 39.33 40.82 1yic h ASP 93 CO 0.04 -0.29 -0.36 0.25 -1.72 0.00 0.00 179.24 177.17 1yic h LEU 94 N 0.02 -0.85 -0.68 1.55 5.85 -0.49 -1.08 115.31 119.64 1yic h LEU 94 Ca 0.46 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.34 1yic h LEU 94 Cb 0.79 0.22 -0.13 0.00 0.37 0.00 0.00 40.66 41.91 1yic h LEU 94 CO -0.87 -0.55 -0.23 0.40 -0.34 0.00 0.00 178.44 176.85 1yic h ILE 95 N -1.11 0.24 -0.18 4.05 2.04 0.14 0.81 117.51 123.51 1yic h ILE 95 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1yic h ILE 95 Cb 0.77 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1yic h ILE 95 CO 0.17 0.00 0.12 0.71 0.00 0.00 0.00 178.15 179.14 1yic h THR 96 N -0.05 1.05 0.05 -0.27 1.35 -0.60 0.50 112.91 114.94 1yic h THR 96 Ca 0.31 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 66.10 1yic h THR 96 Cb 0.53 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 1yic h THR 96 CO -0.72 0.05 -0.47 0.22 -0.25 0.00 0.00 175.52 174.34 1yic h TYR 97 N 0.24 -1.35 -0.91 4.73 3.20 -0.35 -1.60 116.97 120.93 1yic h TYR 97 Ca 0.06 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.13 1yic h TYR 97 Cb -0.02 0.58 -0.10 0.00 1.54 0.00 0.00 36.73 38.74 1yic h TYR 97 CO -0.06 -0.54 0.51 -0.07 -1.64 0.00 0.00 178.16 176.36 1yic h LEU 98 N -0.66 0.66 -1.36 2.82 3.38 -0.35 0.28 115.31 120.08 1yic h LEU 98 Ca 0.02 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1yic h LEU 98 Cb 0.70 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1yic h LEU 98 CO -0.31 0.28 0.48 0.50 0.09 0.00 0.00 178.44 179.49 1yic h LYS 99 N 0.72 0.75 -0.09 1.13 1.63 -0.28 0.28 116.57 120.72 1yic h LYS 99 Ca 0.50 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 60.20 1yic h LYS 99 Cb 0.68 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1yic h LYS 99 CO -0.35 0.50 -0.16 -0.22 -3.45 0.00 0.00 179.45 175.77 1yic h LYS 100 N 0.78 0.27 -0.89 1.90 1.63 0.36 0.12 116.57 120.74 1yic h LYS 100 Ca 0.31 -0.17 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1yic h LYS 100 Cb 0.24 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.83 1yic h LYS 100 CO -0.10 0.75 0.58 0.00 -3.45 0.00 0.00 179.45 177.23 1yic h ALA 101 N 0.51 1.51 0.21 5.00 0.00 -0.02 -2.90 119.26 123.58 1yic h ALA 101 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yic h ALA 101 Cb 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1yic h ALA 101 CO 0.04 0.36 -0.10 0.66 0.00 0.00 0.00 179.25 180.21 1yic h SER 102 N 1.02 -0.24 0.00 0.00 4.64 -0.54 -3.44 113.55 114.99 1yic h SER 102 Ca 0.38 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1yic h SER 102 Cb 0.17 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1yic h SER 102 CO -0.13 0.27 0.00 1.21 -0.87 0.00 0.00 176.83 177.31