#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 0.23 0.00 1.09 0.41 -1.26 -5.05 118.70 114.11 1yic s GLU -4 Ca 0.00 0.44 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 1yic s GLU -4 Cb 0.00 -0.70 0.00 0.00 -1.78 0.00 0.00 34.13 31.65 1yic s GLU -4 CO 0.00 -0.56 0.51 0.34 -0.49 0.00 0.00 175.26 175.06 1yic n PHE -3 N 5.34 0.00 -1.66 1.61 7.35 -1.26 -5.09 117.46 123.76 1yic n PHE -3 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1yic n PHE -3 Cb 0.50 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 39.87 1yic n PHE -3 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1yic n LYS -2 N -1.88 -4.64 0.00 -4.13 5.02 -1.26 -4.98 118.16 106.29 1yic n LYS -2 Ca 0.00 3.50 0.00 0.00 -2.02 0.00 0.00 58.31 59.79 1yic n LYS -2 Cb 0.00 -4.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.94 1yic n LYS -2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yic n ALA -1 N -1.44 0.00 0.00 7.82 0.00 -1.26 -4.95 120.51 120.67 1yic n ALA -1 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yic n ALA -1 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 0.98 0.74 2.68 0.00 0.00 -1.26 -4.57 105.19 103.77 1yic n GLY 1 Ca 0.00 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.00 2.21 0.00 1.61 1.04 -1.26 -5.07 113.70 108.23 1yic s SER 2 Ca 0.00 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1yic s SER 2 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1yic s SER 2 CO 0.00 -0.38 0.59 0.00 0.98 0.00 0.00 173.24 174.42 1yic n ALA 3 N 5.29 -0.01 0.00 5.32 0.00 -1.26 -4.48 120.51 125.38 1yic n ALA 3 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1yic n ALA 3 Cb 0.46 0.28 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1yic n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1yic n LYS 4 N -1.31 0.00 -0.28 0.00 2.85 -1.26 0.59 118.16 118.74 1yic n LYS 4 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1yic n LYS 4 Cb 0.00 0.00 0.22 0.00 -0.65 0.00 0.00 35.03 34.60 1yic n LYS 4 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1yic h LYS 5 N 0.00 0.13 -0.84 -1.58 3.64 -1.92 0.14 116.57 116.14 1yic h LYS 5 Ca 0.00 -0.01 0.34 0.00 -1.27 0.00 0.00 60.65 59.71 1yic h LYS 5 Cb 0.00 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 31.64 1yic h LYS 5 CO 0.00 0.08 0.40 0.41 -2.27 0.00 0.00 179.45 178.07 1yic n GLY 6 N -1.42 -0.70 0.44 5.01 0.00 0.20 -0.31 105.19 108.41 1yic n GLY 6 Ca 0.17 0.70 -0.17 0.00 0.00 0.00 0.00 46.02 46.73 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 1.69 -1.22 -0.44 4.61 0.00 -0.87 0.18 119.26 123.21 1yic h ALA 7 Ca 0.69 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1yic h ALA 7 Cb 1.79 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 20.10 1yic h ALA 7 CO -0.67 -1.18 0.28 0.00 0.00 0.00 0.00 179.25 177.68 1yic h THR 8 N -1.02 1.12 -0.47 0.00 1.03 -1.06 -0.10 112.91 112.42 1yic h THR 8 Ca -0.09 -0.25 0.06 0.00 -0.01 0.00 0.00 66.41 66.12 1yic h THR 8 Cb 0.82 0.50 -0.09 0.00 -1.07 0.00 0.00 68.15 68.31 1yic h THR 8 CO 0.09 0.12 -0.52 -0.07 -0.01 0.00 0.00 175.52 175.13 1yic h LEU 9 N 0.59 -1.77 -0.30 0.00 -0.00 -0.60 0.60 115.31 113.84 1yic h LEU 9 Ca 0.16 0.25 0.07 0.00 -0.00 0.00 0.00 57.88 58.35 1yic h LEU 9 Cb -0.04 0.74 -0.07 0.00 -0.00 0.00 0.00 40.66 41.29 1yic h LEU 9 CO -0.03 -0.38 -0.16 0.15 -0.00 0.00 0.00 178.44 178.02 1yic h PHE 10 N -0.34 -0.39 0.00 1.13 3.57 -0.23 0.65 116.94 121.33 1yic h PHE 10 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1yic h PHE 10 Cb 0.58 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1yic h PHE 10 CO -0.73 -0.23 -0.00 0.87 -2.23 0.00 0.00 178.31 175.99 1yic h LYS 11 N -0.12 0.00 -0.01 1.11 1.79 0.11 0.33 116.57 119.78 1yic h LYS 11 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1yic h LYS 11 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1yic h LYS 11 CO -0.37 0.00 -0.31 0.25 -1.08 0.00 0.00 179.45 177.94 1yic n THR 12 N -4.02 0.00 0.01 -0.16 -2.24 0.19 -4.41 114.28 103.64 1yic n THR 12 Ca -0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1yic n THR 12 Cb 0.09 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.24 0.00 -0.09 -0.78 5.12 0.22 -4.89 116.66 116.00 1yic n ARG 13 Ca 0.06 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.81 1yic n ARG 13 Cb 0.29 -0.09 -0.10 0.00 -1.16 0.00 0.00 32.46 31.39 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 -1.06 0.00 5.85 -1.01 0.35 115.31 118.45 1yic h LEU 15 Ca -0.18 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1yic h LEU 15 Cb 1.05 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1yic h LEU 15 CO -0.11 0.00 0.63 1.56 -0.34 0.00 0.00 178.44 180.18 1yic h GLN 16 N 0.00 1.11 0.00 1.25 1.08 -1.76 -3.19 115.11 113.60 1yic h GLN 16 Ca 0.11 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1yic h GLN 16 Cb 1.24 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 1yic h GLN 16 CO -0.00 0.74 -1.51 0.00 -0.95 0.00 0.00 178.83 177.10 1yic n HIS 18 N -2.09 -0.55 -3.80 0.00 8.25 0.93 -0.49 115.22 117.46 1yic n HIS 18 Ca -0.08 -0.39 -0.07 0.00 -0.26 0.00 0.00 57.72 56.92 1yic n HIS 18 Cb 0.54 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.88 0.00 -0.33 1.59 -4.23 -1.26 -4.25 115.64 106.28 1yic s THR 19 Ca 0.02 -0.86 0.06 0.00 -1.18 0.00 0.00 61.69 59.74 1yic s THR 19 Cb -0.00 -1.88 0.46 0.00 1.34 0.00 0.00 72.50 72.41 1yic s THR 19 CO 0.01 0.00 1.29 0.55 -0.54 0.00 0.00 174.62 175.94 1yic n VAL 20 N -0.45 2.63 -4.19 2.29 3.14 -1.26 -0.95 118.33 119.53 1yic n VAL 20 Ca -0.06 -3.97 -0.30 0.00 -2.96 0.00 0.00 64.34 57.05 1yic n VAL 20 Cb 0.60 -1.06 -0.09 0.00 -1.06 0.00 0.00 33.84 32.23 1yic n VAL 20 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1yic s GLU 21 N -3.59 2.27 0.03 1.45 -1.05 -1.26 -4.51 118.70 112.04 1yic s GLU 21 Ca 0.51 -0.96 -0.18 0.00 -0.15 0.00 0.00 54.97 54.20 1yic s GLU 21 Cb 0.42 -2.39 -0.10 0.00 -0.44 0.00 0.00 34.13 31.62 1yic s GLU 21 CO 0.03 0.52 1.23 0.87 0.95 0.00 0.00 175.26 178.85 1yic h LYS 22 N 3.53 -0.61 -1.61 -4.83 1.57 -1.97 -2.05 116.57 110.60 1yic h LYS 22 Ca -0.48 0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.18 1yic h LYS 22 Cb 1.17 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.54 1yic h LYS 22 CO 0.55 -0.41 0.20 0.41 -0.57 0.00 0.00 179.45 179.63 1yic n GLY 23 N -1.22 3.17 3.77 3.86 0.00 -1.26 -4.96 105.19 108.55 1yic n GLY 23 Ca -0.08 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 0.95 2.88 0.00 -0.02 0.00 -0.77 -5.05 107.32 105.31 1yic s GLY 24 Ca 0.15 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1yic s GLY 24 CO 0.00 1.31 0.00 -1.55 0.00 0.00 0.00 173.10 172.87 1yic n PRO 25 N 0.43 0.01 -0.47 2.90 -0.04 -1.26 -4.74 135.00 131.82 1yic n PRO 25 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1yic n PRO 25 Cb 0.47 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.00 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 -1.54 0.00 0.00 0.54 8.25 -1.26 -3.34 115.22 117.87 1yic n HIS 26 Ca 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 1yic n HIS 26 Cb 0.00 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.54 0.00 -0.09 -0.41 4.01 -1.26 -2.90 118.16 116.96 1yic n LYS 27 Ca 0.08 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.74 1yic n LYS 27 Cb 0.73 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.19 1yic n LYS 27 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1yic n VAL 28 N 0.00 1.48 -4.08 -0.18 0.31 -1.11 -5.02 118.33 109.73 1yic n VAL 28 Ca 0.00 0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.13 1yic n VAL 28 Cb 0.00 -2.23 -0.05 0.00 -0.91 0.00 0.00 33.84 30.65 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 -4.73 1.67 0.47 2.92 0.00 0.35 -5.03 107.32 102.97 1yic s GLY 29 Ca -0.25 -1.23 -0.22 0.00 0.00 0.00 0.00 44.72 43.02 1yic s GLY 29 CO 0.39 -1.24 1.13 2.56 0.00 0.00 0.00 173.10 175.94 1yic s PRO 30 N -3.21 3.75 0.24 2.90 0.04 -1.26 -4.29 135.00 133.17 1yic s PRO 30 Ca 0.31 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 1yic s PRO 30 Cb -0.10 -2.33 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 1yic s PRO 30 CO 0.24 -0.54 1.39 -1.71 0.04 0.00 0.00 177.00 176.42 1yic n ASN 31 N -0.61 2.67 -1.62 6.66 2.85 -1.21 -4.55 115.26 119.45 1yic n ASN 31 Ca 0.08 1.14 -0.12 0.00 -0.11 0.00 0.00 54.58 55.57 1yic n ASN 31 Cb 0.49 -1.42 0.20 0.00 1.24 0.00 0.00 39.78 40.29 1yic n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1yic n LEU 32 N 2.10 5.25 -4.55 1.20 4.77 -0.13 -4.93 117.00 120.71 1yic n LEU 32 Ca 0.12 -3.68 -0.37 0.00 -0.03 0.00 0.00 56.01 52.05 1yic n LEU 32 Cb 0.31 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 1yic n LEU 32 CO 0.62 1.15 2.02 1.57 -1.33 0.00 0.00 177.39 181.42 1yic n HIS 33 N -1.08 1.45 -2.43 -1.77 -0.00 -1.26 -0.73 115.22 109.39 1yic n HIS 33 Ca 0.44 0.11 -0.12 0.00 0.46 0.00 0.00 57.72 58.61 1yic n HIS 33 Cb 1.30 -2.64 0.01 0.00 -0.12 0.00 0.00 29.99 28.54 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 6.02 -0.06 0.29 1.57 0.00 -1.26 -4.93 105.19 106.82 1yic n GLY 34 Ca 0.38 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.36 0.81 -0.70 -0.61 2.10 -1.21 -3.38 117.51 114.17 1yic h ILE 35 Ca -0.29 -0.22 -0.47 0.00 1.08 0.00 0.00 64.86 64.96 1yic h ILE 35 Cb 1.21 0.11 -0.05 0.00 -1.09 0.00 0.00 36.82 37.00 1yic h ILE 35 CO 0.32 0.12 1.68 0.49 -1.08 0.00 0.00 178.15 179.68 1yic n PHE 36 N -4.85 0.93 0.00 2.19 3.72 -1.26 -0.98 117.46 117.21 1yic n PHE 36 Ca 0.14 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 1yic n PHE 36 Cb 0.33 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.43 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 6.27 3.41 0.88 1.37 0.00 -1.11 -5.01 105.19 111.00 1yic n GLY 37 Ca 0.53 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1yic n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yic n ARG 38 N 0.00 0.43 -4.01 1.61 3.00 -0.16 -4.90 116.66 112.63 1yic n ARG 38 Ca 0.00 -0.61 -0.25 0.00 -0.01 0.00 0.00 57.85 56.98 1yic n ARG 38 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 32.46 32.25 1yic n ARG 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1yic s HIS 39 N -0.55 2.37 -1.08 -1.55 3.76 -1.26 -2.60 115.29 114.39 1yic s HIS 39 Ca 0.15 -0.65 -0.22 0.00 -0.15 0.00 0.00 55.06 54.19 1yic s HIS 39 Cb -0.01 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 1yic s HIS 39 CO 0.10 -0.01 1.80 -1.54 -0.85 0.00 0.00 174.74 174.24 1yic s SER 40 N -4.03 5.71 0.00 1.40 1.04 0.15 -3.91 113.70 114.07 1yic s SER 40 Ca 0.39 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1yic s SER 40 Cb 0.01 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1yic s SER 40 CO 0.22 -2.29 0.00 0.61 0.98 0.00 0.00 173.24 172.76 1yic n GLY 41 N 6.30 0.30 0.74 7.32 0.00 -1.26 -3.14 105.19 115.44 1yic n GLY 41 Ca 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.00 1.61 1.13 -1.25 -4.92 117.38 113.95 1yic n GLN 42 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1yic n GLN 42 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 30.24 30.28 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 -2.32 0.00 -1.62 -1.58 0.00 -1.26 -4.69 120.51 109.04 1yic n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yic n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yic n ALA 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yic n GLU 44 N 2.77 0.00 0.13 0.00 -0.00 -1.26 -5.00 120.64 117.27 1yic n GLU 44 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1yic n GLU 44 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 31.44 31.25 1yic n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yic n GLY 45 N 0.00 -0.71 0.30 -1.84 0.00 -1.26 -4.97 105.19 96.71 1yic n GLY 45 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.17 1yic n GLY 45 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1yic h TYR 46 N 0.00 -0.30 0.00 1.61 3.20 -1.94 -3.45 116.97 116.08 1yic h TYR 46 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1yic h TYR 46 Cb 0.00 0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1yic h TYR 46 CO 0.00 -0.34 0.00 0.45 -1.64 0.00 0.00 178.16 176.63 1yic n SER 47 N -5.49 0.00 -1.01 -2.11 2.88 -1.26 -4.95 113.62 101.68 1yic n SER 47 Ca 0.14 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.72 1yic n SER 47 Cb 0.47 -0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 1yic n SER 47 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1yic n TYR 48 N -1.83 -2.29 -3.54 0.66 4.02 -1.26 -4.82 117.16 108.10 1yic n TYR 48 Ca 0.00 0.39 -0.30 0.00 -0.01 0.00 0.00 57.90 57.98 1yic n TYR 48 Cb 0.00 -0.51 -0.04 0.00 -0.02 0.00 0.00 39.34 38.77 1yic n TYR 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1yic s THR 49 N -0.50 5.10 0.27 -0.72 -4.23 -1.26 -5.00 115.64 109.31 1yic s THR 49 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1yic s THR 49 Cb 0.00 -3.69 0.26 0.00 1.34 0.00 0.00 72.50 70.41 1yic s THR 49 CO 0.00 -0.14 1.79 -0.78 -0.54 0.00 0.00 174.62 174.95 1yic h ASP 50 N 2.21 0.71 0.37 3.99 3.58 -1.91 -1.10 116.42 124.27 1yic h ASP 50 Ca -0.47 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 1yic h ASP 50 Cb 1.18 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 1yic h ASP 50 CO 0.69 0.33 -0.36 0.00 -2.88 0.00 0.00 179.24 177.01 1yic h ALA 51 N 1.55 -1.04 -0.31 -0.78 0.00 -1.92 0.23 119.26 116.98 1yic h ALA 51 Ca 0.48 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1yic h ALA 51 Cb 0.61 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1yic h ALA 51 CO -0.32 -1.07 0.02 -0.97 0.00 0.00 0.00 179.25 176.91 1yic h ASN 52 N -0.73 -0.08 0.07 0.00 -1.24 -1.73 0.16 115.58 112.03 1yic h ASN 52 Ca -0.05 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1yic h ASN 52 Cb 0.63 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.77 1yic h ASN 52 CO -0.04 -0.01 -0.20 0.40 -1.29 0.00 0.00 177.43 176.29 1yic h ILE 53 N 0.12 0.00 0.00 2.57 2.04 -1.16 -2.67 117.51 118.40 1yic h ILE 53 Ca 0.15 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1yic h ILE 53 Cb 0.19 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1yic h ILE 53 CO -0.23 0.00 -0.01 0.50 0.00 0.00 0.00 178.15 178.40 1yic h LYS 54 N -0.31 0.00 -0.95 2.37 1.63 -0.27 0.49 116.57 119.53 1yic h LYS 54 Ca -0.01 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.94 1yic h LYS 54 Cb 0.30 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 31.84 1yic h LYS 54 CO -0.10 0.01 0.56 -0.22 -3.45 0.00 0.00 179.45 176.26 1yic h LYS 55 N 0.00 0.79 -7.10 1.90 1.63 -0.33 -3.47 116.57 110.00 1yic h LYS 55 Ca -0.00 -0.05 -0.62 0.00 -0.85 0.00 0.00 60.65 59.13 1yic h LYS 55 Cb 0.03 -0.18 -0.26 0.00 -0.60 0.00 0.00 32.23 31.22 1yic h LYS 55 CO 0.00 0.53 -0.95 0.27 -3.45 0.00 0.00 179.45 175.85 1yic n ASN 56 N -4.74 -0.01 -4.76 4.20 0.23 0.16 -4.93 115.26 105.41 1yic n ASN 56 Ca 0.19 -1.26 -0.40 0.00 -0.53 0.00 0.00 54.58 52.59 1yic n ASN 56 Cb 0.43 -1.66 -0.05 0.00 -2.08 0.00 0.00 39.78 36.42 1yic n ASN 56 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1yic s VAL 57 N -4.01 4.69 0.37 3.53 1.01 -1.26 -4.62 120.40 120.11 1yic s VAL 57 Ca 0.27 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.58 1yic s VAL 57 Cb -0.16 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1yic s VAL 57 CO 1.00 0.41 1.00 -0.22 0.00 0.00 0.00 175.10 177.29 1yic s LEU 58 N -0.32 4.21 -0.51 3.92 2.96 -1.26 0.35 118.68 128.03 1yic s LEU 58 Ca 0.37 1.93 -0.16 0.00 -0.22 0.00 0.00 54.13 56.04 1yic s LEU 58 Cb -0.21 -4.14 0.10 0.00 0.50 0.00 0.00 46.19 42.44 1yic s LEU 58 CO 0.23 -0.30 0.46 0.26 -1.32 0.00 0.00 176.35 175.68 1yic s TRP 59 N -1.68 3.23 0.18 5.38 0.23 -1.07 -4.57 118.94 120.63 1yic s TRP 59 Ca 0.55 -1.05 0.07 0.00 -2.03 0.00 0.00 56.10 53.64 1yic s TRP 59 Cb -0.20 -3.47 -0.04 0.00 0.03 0.00 0.00 33.47 29.79 1yic s TRP 59 CO 0.25 -0.92 -0.15 -0.51 0.96 0.00 0.00 176.95 176.58 1yic s ASP 60 N 3.04 2.45 0.50 2.95 1.01 -1.26 -2.74 116.67 122.63 1yic s ASP 60 Ca 0.05 -0.95 0.31 0.00 0.71 0.00 0.00 52.55 52.67 1yic s ASP 60 Cb -0.26 -0.12 1.42 0.00 1.01 0.00 0.00 42.92 44.96 1yic s ASP 60 CO 0.05 -0.14 1.82 -0.33 0.21 0.00 0.00 175.17 176.78 1yic h GLU 61 N 2.90 0.10 0.05 8.23 3.07 -1.96 0.12 114.58 127.08 1yic h GLU 61 Ca -0.39 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1yic h GLU 61 Cb 1.21 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1yic h GLU 61 CO 0.58 0.07 -0.02 -0.91 -1.40 0.00 0.00 179.01 177.32 1yic h ASN 62 N 0.11 -0.06 -0.19 1.42 4.21 -1.98 -3.20 115.58 115.89 1yic h ASN 62 Ca 0.54 0.00 0.04 0.00 1.21 0.00 0.00 56.30 58.10 1yic h ASN 62 Cb 1.94 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 39.11 1yic h ASN 62 CO -0.08 0.05 -0.09 -1.13 -1.29 0.00 0.00 177.43 174.89 1yic h ASN 63 N -0.26 -0.29 -0.94 5.81 -1.24 -1.78 0.03 115.58 116.92 1yic h ASN 63 Ca -0.01 0.07 0.25 0.00 0.71 0.00 0.00 56.30 57.33 1yic h ASN 63 Cb 0.05 0.16 -0.13 0.00 0.73 0.00 0.00 38.32 39.13 1yic h ASN 63 CO 0.01 -0.11 0.44 -0.03 -1.29 0.00 0.00 177.43 176.45 1yic h MET 64 N -0.06 0.37 0.12 6.67 4.05 -0.98 -2.23 114.93 122.87 1yic h MET 64 Ca 0.10 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1yic h MET 64 Cb 0.21 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1yic h MET 64 CO -0.23 0.25 -0.22 1.03 0.23 0.00 0.00 176.91 177.96 1yic h SER 65 N 0.38 -0.64 -0.54 1.39 0.87 -0.97 0.20 113.55 114.24 1yic h SER 65 Ca 0.61 0.06 0.11 0.00 -1.23 0.00 0.00 61.79 61.34 1yic h SER 65 Cb 1.24 0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 63.34 1yic h SER 65 CO -0.56 -0.26 0.00 -0.33 -0.53 0.00 0.00 176.83 175.16 1yic h GLU 66 N -0.37 0.12 -0.34 2.24 4.39 -1.51 0.37 114.58 119.49 1yic h GLU 66 Ca -0.01 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1yic h GLU 66 Cb 0.34 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.88 1yic h GLU 66 CO -0.08 0.08 -0.30 -0.92 -1.16 0.00 0.00 179.01 176.63 1yic h TYR 67 N 0.12 -0.81 -0.19 4.33 3.20 -1.09 -1.29 116.97 121.24 1yic h TYR 67 Ca 0.27 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 1yic h TYR 67 Cb 0.42 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1yic h TYR 67 CO -0.33 -0.36 -0.29 -0.07 -1.64 0.00 0.00 178.16 175.47 1yic h LEU 68 N -0.26 0.37 -1.06 2.82 3.38 0.13 0.22 115.31 120.91 1yic h LEU 68 Ca 0.16 -0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.19 1yic h LEU 68 Cb 0.52 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1yic h LEU 68 CO -0.49 0.65 0.62 0.71 0.09 0.00 0.00 178.44 180.02 1yic h THR 69 N 0.33 0.73 -0.72 0.22 1.35 0.74 0.33 112.91 115.88 1yic h THR 69 Ca 0.05 -0.26 -0.05 0.00 -0.55 0.00 0.00 66.41 65.60 1yic h THR 69 Cb 0.68 -0.10 -0.17 0.00 -1.73 0.00 0.00 68.15 66.83 1yic h THR 69 CO 0.05 0.14 -0.35 0.21 -0.25 0.00 0.00 175.52 175.32 1yic s ASN 70 N -5.47 -1.08 0.00 5.36 3.84 -0.69 -3.53 114.94 113.37 1yic s ASN 70 Ca -0.11 -0.94 0.00 0.00 0.21 0.00 0.00 52.86 52.02 1yic s ASN 70 Cb 0.24 1.40 0.00 0.00 -0.55 0.00 0.00 41.25 42.34 1yic s ASN 70 CO 0.80 -0.08 0.89 -0.81 -2.79 0.00 0.00 177.10 175.11 1yic n PRO 71 N 3.43 0.71 0.00 0.43 -0.04 0.69 -1.78 135.00 138.45 1yic n PRO 71 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1yic n PRO 71 Cb 0.59 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.88 0.00 -0.16 0.54 5.02 -1.26 -0.34 118.16 122.83 1yic n LYS 73 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1yic n LYS 73 Cb 0.36 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.42 1yic n LYS 73 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1yic h TYR 74 N 0.00 0.44 -3.35 2.13 5.03 -1.68 -3.30 116.97 116.24 1yic h TYR 74 Ca 0.00 0.02 -0.67 0.00 2.58 0.00 0.00 58.73 60.66 1yic h TYR 74 Cb 0.00 -0.12 -0.38 0.00 1.55 0.00 0.00 36.73 37.78 1yic h TYR 74 CO 0.00 0.20 -0.40 0.42 -1.32 0.00 0.00 178.16 177.06 1yic s ILE 75 N -6.13 3.44 -0.96 1.81 1.01 0.53 -5.04 121.20 115.87 1yic s ILE 75 Ca -0.13 -3.59 -0.24 0.00 0.00 0.00 0.00 60.65 56.69 1yic s ILE 75 Cb 0.14 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.30 1yic s ILE 75 CO 0.73 -0.95 2.01 -2.16 0.00 0.00 0.00 174.94 174.58 1yic s PRO 76 N -0.78 2.35 0.00 2.79 0.04 -1.25 -1.42 135.00 136.73 1yic s PRO 76 Ca 0.21 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1yic s PRO 76 Cb -0.14 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1yic s PRO 76 CO -0.08 -3.76 0.00 0.41 0.04 0.00 0.00 177.00 173.61 1yic n GLY 77 N 6.58 0.57 3.65 0.56 0.00 -1.26 -4.93 105.19 110.35 1yic n GLY 77 Ca 0.42 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 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 3.31 -1.06 2.61 5.66 -0.51 -4.74 114.28 119.55 1yic n THR 78 Ca 0.00 -0.40 -0.17 0.00 -3.05 0.00 0.00 64.05 60.43 1yic n THR 78 Cb 0.00 -1.20 0.21 0.00 -1.55 0.00 0.00 70.33 67.79 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 -1.93 2.67 -1.47 1.09 5.02 -1.26 -4.81 118.16 117.47 1yic n LYS 79 Ca 0.14 -2.89 -0.12 0.00 -2.02 0.00 0.00 58.31 53.42 1yic n LYS 79 Cb 0.49 -2.14 -0.10 0.00 -0.02 0.00 0.00 35.03 33.26 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 -0.75 0.19 -0.77 1.97 2.81 -1.26 -4.78 117.12 114.53 1yic n MET 80 Ca 0.51 -1.05 -0.07 0.00 -1.81 0.00 0.00 57.70 55.28 1yic n MET 80 Cb 1.53 -3.13 -0.10 0.00 -0.71 0.00 0.00 33.22 30.81 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 15.85 5.28 -2.77 3.04 0.00 -1.26 -4.90 120.51 135.74 1yic n ALA 81 Ca 0.38 -1.09 -0.33 0.00 0.00 0.00 0.00 53.44 52.40 1yic n ALA 81 Cb 0.44 -1.84 -0.07 0.00 0.00 0.00 0.00 19.45 17.97 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 0.72 3.28 0.19 0.00 5.36 -1.26 -5.02 117.98 121.25 1yic s PHE 82 Ca 0.40 0.21 -0.15 0.00 -0.96 0.00 0.00 56.93 56.43 1yic s PHE 82 Cb 0.19 -1.75 0.18 0.00 -0.34 0.00 0.00 43.02 41.31 1yic s PHE 82 CO 0.00 0.55 1.64 0.78 -1.46 0.00 0.00 175.22 176.73 1yic h GLY 83 N 4.21 0.38 0.00 13.12 0.00 -1.95 -3.46 103.07 115.37 1yic h GLY 83 Ca -0.49 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1yic h GLY 83 CO 0.61 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1yic n GLY 84 N -1.39 0.76 2.57 4.60 0.00 -1.26 -4.81 105.19 105.67 1yic n GLY 84 Ca 0.06 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.34 3.03 -3.26 0.99 4.77 0.11 -4.93 117.00 117.38 1yic n LEU 85 Ca 0.00 -4.69 -0.26 0.00 -0.03 0.00 0.00 56.01 51.02 1yic n LEU 85 Cb 0.00 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1yic n LEU 85 CO 0.00 2.01 2.38 2.29 -1.33 0.00 0.00 177.39 182.74 1yic n LYS 86 N -0.21 2.09 0.00 3.23 2.85 -1.23 -4.44 118.16 120.45 1yic n LYS 86 Ca 0.25 -1.57 0.00 0.00 -1.05 0.00 0.00 58.31 55.94 1yic n LYS 86 Cb 0.69 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.51 1yic n LYS 86 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1yic n LYS 87 N 4.64 0.00 0.00 -1.58 4.01 -1.26 -5.10 118.16 118.86 1yic n LYS 87 Ca 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.27 1yic n LYS 87 Cb 0.18 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.70 1yic n LYS 87 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1yic n GLU 88 N 0.00 0.00 -0.08 1.97 1.02 -1.26 -4.95 120.64 117.34 1yic n GLU 88 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1yic n GLU 88 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1yic n GLU 88 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1yic n LYS 89 N -2.13 0.49 -0.28 3.49 4.81 -1.26 -3.95 118.16 119.33 1yic n LYS 89 Ca 0.00 0.44 0.04 0.00 -0.87 0.00 0.00 58.31 57.92 1yic n LYS 89 Cb 0.00 -1.62 0.13 0.00 0.02 0.00 0.00 35.03 33.56 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 -1.00 -0.61 0.02 3.14 5.19 -1.95 0.23 116.42 121.44 1yic h ASP 90 Ca -0.06 0.23 0.03 0.00 -0.62 0.00 0.00 57.03 56.61 1yic h ASP 90 Cb 0.75 0.45 -0.05 0.00 0.18 0.00 0.00 39.33 40.66 1yic h ASP 90 CO -0.03 -0.25 -0.40 0.08 -3.12 0.00 0.00 179.24 175.52 1yic h ARG 91 N 0.03 -0.55 -0.06 3.56 -0.00 -1.80 -0.04 114.38 115.52 1yic h ARG 91 Ca 0.41 0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 60.43 1yic h ARG 91 Cb 0.68 0.12 -0.00 0.00 -0.00 0.00 0.00 29.97 30.77 1yic h ARG 91 CO -0.79 -0.36 0.04 -0.91 -0.00 0.00 0.00 179.97 177.94 1yic h ASN 92 N -0.57 0.07 -0.79 0.08 2.35 -0.81 0.57 115.58 116.48 1yic h ASN 92 Ca 0.05 -0.04 0.18 0.00 -0.55 0.00 0.00 56.30 55.94 1yic h ASN 92 Cb 0.64 -0.02 -0.14 0.00 0.05 0.00 0.00 38.32 38.85 1yic h ASN 92 CO -0.29 0.09 -0.01 0.44 -1.65 0.00 0.00 177.43 176.01 1yic h ASP 93 N 0.05 -0.39 0.41 5.81 5.19 -0.70 0.71 116.42 127.49 1yic h ASP 93 Ca 0.02 0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 1yic h ASP 93 Cb 0.03 0.38 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1yic h ASP 93 CO -0.00 -0.21 -0.20 0.25 -3.12 0.00 0.00 179.24 175.96 1yic h LEU 94 N 0.09 -0.47 -0.66 1.55 5.85 0.27 0.44 115.31 122.38 1yic h LEU 94 Ca 0.44 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.20 1yic h LEU 94 Cb 0.78 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 1yic h LEU 94 CO -0.71 -0.17 0.13 0.40 -0.34 0.00 0.00 178.44 177.74 1yic h ILE 95 N -0.76 0.57 -0.30 4.05 5.03 -0.12 0.98 117.51 126.96 1yic h ILE 95 Ca -0.06 -0.08 -0.05 0.00 -0.12 0.00 0.00 64.86 64.55 1yic h ILE 95 Cb 0.53 0.30 -0.01 0.00 -3.03 0.00 0.00 36.82 34.61 1yic h ILE 95 CO 0.09 0.04 -0.00 0.71 -0.68 0.00 0.00 178.15 178.31 1yic h THR 96 N 0.24 1.26 -0.47 -0.27 1.35 -0.87 -1.84 112.91 112.30 1yic h THR 96 Ca 0.36 -0.95 0.09 0.00 -0.55 0.00 0.00 66.41 65.36 1yic h THR 96 Cb 0.57 1.29 -0.10 0.00 -1.73 0.00 0.00 68.15 68.18 1yic h THR 96 CO -0.47 0.31 -0.26 0.22 -0.25 0.00 0.00 175.52 175.07 1yic h TYR 97 N 0.32 -0.68 -0.29 4.73 3.20 0.05 0.18 116.97 124.48 1yic h TYR 97 Ca 0.08 0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.06 1yic h TYR 97 Cb 0.44 0.37 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 1yic h TYR 97 CO 0.04 -0.33 0.00 -0.07 -1.64 0.00 0.00 178.16 176.16 1yic h LEU 98 N -0.16 -0.11 -1.28 2.82 3.38 -0.54 0.27 115.31 119.69 1yic h LEU 98 Ca 0.21 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.36 1yic h LEU 98 Cb 0.50 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1yic h LEU 98 CO -0.56 -0.02 0.56 0.50 0.09 0.00 0.00 178.44 179.00 1yic h LYS 99 N 0.09 0.74 -0.03 1.13 1.63 -0.46 0.25 116.57 119.92 1yic h LYS 99 Ca 0.14 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1yic h LYS 99 Cb 0.18 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1yic h LYS 99 CO -0.23 0.49 -0.02 -0.22 -3.45 0.00 0.00 179.45 176.02 1yic h LYS 100 N 0.76 0.06 -0.53 1.90 1.63 0.89 -0.10 116.57 121.19 1yic h LYS 100 Ca 0.41 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.21 1yic h LYS 100 Cb 0.54 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.14 1yic h LYS 100 CO -0.18 0.52 0.31 0.00 -3.45 0.00 0.00 179.45 176.66 1yic h ALA 101 N 0.54 0.68 -0.75 5.00 0.00 0.19 -3.40 119.26 121.53 1yic h ALA 101 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1yic h ALA 101 Cb 0.51 -0.14 -0.20 0.00 0.00 0.00 0.00 17.79 17.96 1yic h ALA 101 CO 0.01 0.01 -0.28 -1.54 0.00 0.00 0.00 179.25 177.45 1yic s SER 102 N -5.59 -1.21 0.00 0.00 1.04 0.01 -5.04 113.70 102.91 1yic s SER 102 Ca -0.13 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1yic s SER 102 Cb 0.13 1.70 0.00 0.00 0.10 0.00 0.00 66.02 67.95 1yic s SER 102 CO 0.74 -0.20 0.09 1.21 0.98 0.00 0.00 173.24 176.07