#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykp s ILE 2 N 0.00 4.73 -0.20 4.25 -1.09 -1.26 -5.06 121.20 122.57 1ykp s ILE 2 Ca 0.00 1.97 -0.09 0.00 -2.23 0.00 0.00 60.65 60.30 1ykp s ILE 2 Cb 0.00 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 1ykp s ILE 2 CO 0.00 0.12 0.10 -1.61 -1.23 0.00 0.00 174.94 172.31 1ykp s GLU 3 N 1.26 4.02 0.57 2.79 0.41 -1.26 -5.14 118.70 121.36 1ykp s GLU 3 Ca 0.52 -0.31 0.02 0.00 -0.41 0.00 0.00 54.97 54.79 1ykp s GLU 3 Cb -0.22 -3.33 0.11 0.00 -1.78 0.00 0.00 34.13 28.91 1ykp s GLU 3 CO 0.26 0.20 0.79 1.28 -0.49 0.00 0.00 175.26 177.30 1ykp n LEU 4 N 3.79 0.00 -4.77 1.80 7.99 -1.26 -5.03 117.00 119.53 1ykp n LEU 4 Ca -0.16 -1.82 -0.41 0.00 -0.01 0.00 0.00 56.01 53.61 1ykp n LEU 4 Cb 0.52 -0.49 -0.01 0.00 -0.11 0.00 0.00 43.42 43.32 1ykp n LEU 4 CO 0.35 -0.85 1.07 -0.76 -1.51 0.00 0.00 177.39 175.69 1ykp s LEU 5 N 0.00 4.38 0.52 2.23 1.43 -1.26 -4.96 118.68 121.02 1ykp s LEU 5 Ca 0.54 2.82 -0.18 0.00 -1.03 0.00 0.00 54.13 56.28 1ykp s LEU 5 Cb -0.03 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 1ykp s LEU 5 CO 0.35 -0.70 1.01 -2.16 0.23 0.00 0.00 176.35 175.08 1ykp s PRO 6 N -1.55 3.79 0.18 1.29 0.04 -1.26 -4.99 135.00 132.51 1ykp s PRO 6 Ca 0.53 1.11 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 1ykp s PRO 6 Cb -0.43 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 1ykp s PRO 6 CO 0.54 -0.41 1.40 -2.00 0.04 0.00 0.00 177.00 176.57 1ykp s GLU 7 N -3.81 4.32 0.26 4.56 2.12 -1.26 -4.96 118.70 119.93 1ykp s GLU 7 Ca 0.62 2.16 -0.30 0.00 0.36 0.00 0.00 54.97 57.82 1ykp s GLU 7 Cb -0.12 -3.18 -0.14 0.00 0.26 0.00 0.00 34.13 30.94 1ykp s GLU 7 CO 0.28 -0.39 1.16 2.41 -0.54 0.00 0.00 175.26 178.18 1ykp n THR 8 N 3.09 1.57 -2.43 -1.70 -1.04 -1.26 -4.90 114.28 107.61 1ykp n THR 8 Ca 0.09 -0.39 -0.36 0.00 -2.04 0.00 0.00 64.05 61.34 1ykp n THR 8 Cb 0.41 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 1ykp n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykp s PRO 9 N -1.14 3.88 0.58 -2.82 0.02 -1.26 -5.02 135.00 129.23 1ykp s PRO 9 Ca 0.63 1.57 -0.19 0.00 0.02 0.00 0.00 61.00 63.03 1ykp s PRO 9 Cb -0.70 -2.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 1ykp s PRO 9 CO 0.57 -0.40 1.16 0.45 -0.33 0.00 0.00 177.00 178.45 1ykp s SER 10 N -1.61 5.41 0.03 2.53 0.15 -1.26 -5.08 113.70 113.87 1ykp s SER 10 Ca 0.63 2.26 0.02 0.00 0.70 0.00 0.00 55.95 59.56 1ykp s SER 10 Cb -0.23 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.48 1ykp s SER 10 CO 0.28 -1.44 -0.07 -1.10 1.20 0.00 0.00 173.24 172.12 1ykp s GLN 11 N -3.37 0.49 0.87 5.44 -1.52 -1.16 -4.85 119.66 115.55 1ykp s GLN 11 Ca 0.74 -0.55 -0.15 0.00 -1.95 0.00 0.00 55.36 53.45 1ykp s GLN 11 Cb -0.27 -0.33 -0.05 0.00 -0.22 0.00 0.00 33.01 32.15 1ykp s GLN 11 CO 0.31 0.07 0.06 -2.37 -0.25 0.00 0.00 175.29 173.11 1ykp n THR 12 N 2.00 0.45 1.04 -0.19 5.66 -1.10 -4.76 114.28 117.38 1ykp n THR 12 Ca -0.19 -0.35 0.13 0.00 -3.05 0.00 0.00 64.05 60.58 1ykp n THR 12 Cb 0.56 -0.43 0.37 0.00 -1.55 0.00 0.00 70.33 69.28 1ykp n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykp n ALA 13 N -2.83 3.18 -0.90 1.79 0.00 -1.25 -5.01 120.51 115.49 1ykp n ALA 13 Ca 0.05 -0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ykp n ALA 13 Cb 0.53 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1ykp n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykp n GLY 14 N 1.48 -1.95 0.23 0.00 0.00 -1.26 -3.84 105.19 99.83 1ykp n GLY 14 Ca 0.07 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 1ykp n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ykp h PRO 15 N -0.85 0.34 -0.59 1.61 0.13 -1.92 -2.91 132.00 127.81 1ykp h PRO 15 Ca -0.01 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1ykp h PRO 15 Cb 0.83 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ykp h PRO 15 CO 0.02 0.58 0.00 0.66 -0.23 0.00 0.00 178.00 179.03 1ykp n TYR 16 N -4.13 0.81 -0.36 1.56 4.01 -1.26 -4.46 117.16 113.32 1ykp n TYR 16 Ca -0.01 -0.32 0.29 0.00 -0.16 0.00 0.00 57.90 57.70 1ykp n TYR 16 Cb 0.39 -0.17 0.55 0.00 -0.31 0.00 0.00 39.34 39.80 1ykp n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ykp h VAL 17 N 2.16 0.23 -0.68 -0.72 3.04 -1.61 0.29 116.25 118.95 1ykp h VAL 17 Ca 0.00 -0.07 0.05 0.00 -1.01 0.00 0.00 66.70 65.67 1ykp h VAL 17 Cb 0.91 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 30.14 1ykp h VAL 17 CO 0.13 0.04 0.45 0.45 -1.01 0.00 0.00 177.57 177.63 1ykp h HIS 18 N 0.21 0.75 -0.61 3.17 3.86 -1.82 -2.24 115.15 118.47 1ykp h HIS 18 Ca 0.76 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 60.13 1ykp h HIS 18 Cb 2.01 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 30.20 1ykp h HIS 18 CO -0.01 0.42 0.42 -0.84 0.86 0.00 0.00 177.93 178.78 1ykp h ILE 19 N 0.76 0.80 -0.01 2.45 3.07 -1.14 -1.20 117.51 122.24 1ykp h ILE 19 Ca 0.28 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 66.61 1ykp h ILE 19 Cb 0.17 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.25 1ykp h ILE 19 CO -0.09 0.05 -0.22 0.61 -1.05 0.00 0.00 178.15 177.45 1ykp n GLY 20 N -1.57 -0.13 0.00 0.16 0.00 -1.05 -4.68 105.19 97.93 1ykp n GLY 20 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1ykp n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykp n LEU 21 N -0.12 0.00 -2.73 0.99 4.77 -0.87 -4.86 117.00 114.18 1ykp n LEU 21 Ca 0.05 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1ykp n LEU 21 Cb 0.26 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1ykp n LEU 21 CO 0.14 0.01 0.32 0.00 -1.33 0.00 0.00 177.39 176.54 1ykp n ALA 22 N 0.00 -1.67 -0.06 -1.18 0.00 -0.48 -4.96 120.51 112.16 1ykp n ALA 22 Ca 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 53.44 52.14 1ykp n ALA 22 Cb 0.25 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 1ykp n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykp h LEU 23 N 3.51 -1.15 -0.43 0.00 4.07 -1.76 -2.65 115.31 116.90 1ykp h LEU 23 Ca -0.16 0.18 0.09 0.00 0.08 0.00 0.00 57.88 58.07 1ykp h LEU 23 Cb 1.08 0.50 -0.09 0.00 1.08 0.00 0.00 40.66 43.24 1ykp h LEU 23 CO 0.19 -0.36 -0.20 -0.08 -1.08 0.00 0.00 178.44 176.90 1ykp h GLU 24 N -0.36 -0.11 -1.00 1.13 4.81 -1.88 -2.08 114.58 115.09 1ykp h GLU 24 Ca 0.12 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 1ykp h GLU 24 Cb 0.57 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.90 1ykp h GLU 24 CO -0.46 -0.08 0.64 0.00 -0.73 0.00 0.00 179.01 178.39 1ykp h ALA 25 N 1.17 1.45 0.00 2.92 0.00 -1.86 -0.07 119.26 122.87 1ykp h ALA 25 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ykp h ALA 25 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ykp h ALA 25 CO -0.50 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1ykp n ALA 26 N -2.36 2.16 -2.74 0.00 0.00 -0.91 -4.81 120.51 111.84 1ykp n ALA 26 Ca 0.17 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1ykp n ALA 26 Cb 0.24 -1.26 0.02 0.00 0.00 0.00 0.00 19.45 18.46 1ykp n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykp n GLY 27 N 0.13 -0.14 3.79 0.00 0.00 -0.04 -4.98 105.19 103.95 1ykp n GLY 27 Ca 0.12 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1ykp n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ykp s ASN 28 N -2.77 5.47 0.39 1.61 0.01 -0.83 -5.03 114.94 113.78 1ykp s ASN 28 Ca 0.19 -0.17 -0.27 0.00 -0.71 0.00 0.00 52.86 51.90 1ykp s ASN 28 Cb -0.09 -1.40 -0.10 0.00 0.41 0.00 0.00 41.25 40.07 1ykp s ASN 28 CO 0.24 0.05 1.40 -2.16 -1.51 0.00 0.00 177.10 175.12 1ykp s PRO 29 N -3.25 4.02 0.77 -0.60 0.04 -1.26 -4.14 135.00 130.57 1ykp s PRO 29 Ca 0.31 2.38 -0.06 0.00 0.04 0.00 0.00 61.00 63.68 1ykp s PRO 29 Cb -0.10 -2.87 0.12 0.00 0.04 0.00 0.00 34.50 31.70 1ykp s PRO 29 CO 0.23 -0.53 1.06 0.95 0.04 0.00 0.00 177.00 178.76 1ykp s THR 30 N -1.17 2.17 0.39 1.26 -4.23 -1.26 -4.81 115.64 107.98 1ykp s THR 30 Ca 0.55 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1ykp s THR 30 Cb -0.43 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 70.63 1ykp s THR 30 CO 0.57 0.00 0.56 -0.13 -0.54 0.00 0.00 174.62 175.08 1ykp s ARG 31 N -5.32 3.04 0.23 3.99 0.52 -1.26 -5.02 118.95 115.13 1ykp s ARG 31 Ca 0.66 -0.85 -0.06 0.00 -0.52 0.00 0.00 55.73 54.97 1ykp s ARG 31 Cb -0.06 -2.71 0.37 0.00 0.52 0.00 0.00 34.95 33.06 1ykp s ARG 31 CO 0.46 -0.12 1.78 -0.44 0.02 0.00 0.00 175.30 177.00 1ykp h ASP 32 N 0.66 0.51 -3.16 0.23 3.32 -2.08 -3.40 116.42 112.50 1ykp h ASP 32 Ca -0.45 0.06 -0.67 0.00 0.02 0.00 0.00 57.03 55.99 1ykp h ASP 32 Cb 1.26 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.45 1ykp h ASP 32 CO 0.54 0.28 -0.82 -1.10 -1.72 0.00 0.00 179.24 176.42 1ykp s GLN 33 N -6.04 3.11 0.07 3.56 -0.21 -1.26 -5.15 119.66 113.73 1ykp s GLN 33 Ca -0.12 -0.77 0.07 0.00 0.02 0.00 0.00 55.36 54.56 1ykp s GLN 33 Cb 0.19 -2.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 1ykp s GLN 33 CO 0.77 -0.20 -0.19 -1.21 -2.12 0.00 0.00 175.29 172.33 1ykp s GLU 34 N 1.34 1.14 -0.44 2.91 0.41 -1.26 -5.12 118.70 117.68 1ykp s GLU 34 Ca 0.05 -1.00 -0.19 0.00 -0.41 0.00 0.00 54.97 53.42 1ykp s GLU 34 Cb -0.13 -1.29 0.03 0.00 -1.78 0.00 0.00 34.13 30.96 1ykp s GLU 34 CO -0.10 0.31 0.55 0.42 -0.49 0.00 0.00 175.26 175.95 1ykp s ILE 35 N -1.01 4.95 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.27 1ykp s ILE 35 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1ykp s ILE 35 Cb -0.09 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.23 1ykp s ILE 35 CO 0.03 -0.55 0.00 1.87 0.00 0.00 0.00 174.94 176.29 1ykp n TRP 36 N 5.96 0.00 0.15 3.97 -0.00 -1.26 -4.65 117.44 121.60 1ykp n TRP 36 Ca -0.05 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.53 1ykp n TRP 36 Cb 0.47 0.00 0.25 0.00 -0.00 0.00 0.00 31.31 32.03 1ykp n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykp n ASN 37 N 0.00 3.21 -4.22 5.87 6.94 -1.11 -1.50 115.26 124.44 1ykp n ASN 37 Ca 0.00 -2.14 -0.37 0.00 -0.02 0.00 0.00 54.58 52.05 1ykp n ASN 37 Cb 0.00 -0.42 -0.12 0.00 -2.36 0.00 0.00 39.78 36.88 1ykp n ASN 37 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1ykp s ARG 38 N -1.49 2.46 0.03 -3.83 0.52 -1.26 -1.18 118.95 114.19 1ykp s ARG 38 Ca 0.37 -1.36 0.17 0.00 -0.52 0.00 0.00 55.73 54.38 1ykp s ARG 38 Cb 0.21 -3.46 -0.16 0.00 0.52 0.00 0.00 34.95 32.06 1ykp s ARG 38 CO 0.22 -0.77 0.73 1.28 0.02 0.00 0.00 175.30 176.78 1ykp n LEU 39 N 4.74 0.75 -4.11 2.53 4.32 -0.57 -4.79 117.00 119.87 1ykp n LEU 39 Ca -0.10 0.33 -0.22 0.00 -0.02 0.00 0.00 56.01 55.99 1ykp n LEU 39 Cb 0.43 0.11 -0.15 0.00 -1.62 0.00 0.00 43.42 42.20 1ykp n LEU 39 CO 0.32 0.19 -0.47 0.00 -1.22 0.00 0.00 177.39 176.20 1ykp s ALA 40 N -2.89 1.18 0.31 -1.18 0.00 -1.24 -1.20 121.76 116.74 1ykp s ALA 40 Ca -0.04 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1ykp s ALA 40 Cb 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 1ykp s ALA 40 CO 0.82 0.29 0.66 0.15 0.00 0.00 0.00 175.76 177.67 1ykp s LYS 41 N -0.33 3.82 0.58 0.00 1.02 0.79 -4.77 119.74 120.86 1ykp s LYS 41 Ca 0.05 0.38 0.30 0.00 0.02 0.00 0.00 55.97 56.72 1ykp s LYS 41 Cb -0.06 -2.52 1.41 0.00 -0.52 0.00 0.00 37.83 36.14 1ykp s LYS 41 CO -0.01 0.16 1.80 -1.35 -0.92 0.00 0.00 175.35 175.04 1ykp h PRO 42 N 1.98 0.00 -0.86 -1.68 0.11 -2.01 0.63 132.00 130.16 1ykp h PRO 42 Ca -0.47 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 1ykp h PRO 42 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 1ykp h PRO 42 CO 0.66 0.00 0.36 -0.40 -0.21 0.00 0.00 178.00 178.41 1ykp n ASP 43 N -3.74 4.26 -4.88 -2.05 5.75 -1.26 -4.91 116.55 109.71 1ykp n ASP 43 Ca 0.13 -3.19 -0.32 0.00 -0.01 0.00 0.00 54.79 51.40 1ykp n ASP 43 Cb 0.89 -0.75 -0.05 0.00 -1.03 0.00 0.00 41.12 40.18 1ykp n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykp s ALA 44 N -2.78 3.59 0.47 2.12 0.00 0.21 -5.04 121.76 120.33 1ykp s ALA 44 Ca 0.50 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 1ykp s ALA 44 Cb 0.40 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 1ykp s ALA 44 CO 0.11 0.49 1.08 -1.25 0.00 0.00 0.00 175.76 176.19 1ykp s PRO 45 N -2.89 3.81 0.00 0.00 0.04 -1.26 -4.94 135.00 129.76 1ykp s PRO 45 Ca 0.47 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ykp s PRO 45 Cb -0.11 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1ykp s PRO 45 CO 0.22 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1ykp n GLY 46 N 0.11 1.15 3.54 0.56 0.00 -1.26 -4.69 105.19 104.60 1ykp n GLY 46 Ca 0.08 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 1ykp n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykp s GLU 47 N -1.16 3.40 0.06 1.61 2.12 -1.26 -4.95 118.70 118.53 1ykp s GLU 47 Ca 0.00 -0.16 -0.32 0.00 0.36 0.00 0.00 54.97 54.85 1ykp s GLU 47 Cb 0.00 -3.92 -0.11 0.00 0.26 0.00 0.00 34.13 30.36 1ykp s GLU 47 CO 0.00 -1.03 1.85 0.72 -0.54 0.00 0.00 175.26 176.26 1ykp n HIS 48 N 6.48 2.50 -4.44 5.30 8.25 -1.26 -2.37 115.22 129.68 1ykp n HIS 48 Ca 0.01 -0.13 -0.22 0.00 -0.26 0.00 0.00 57.72 57.12 1ykp n HIS 48 Cb 0.48 -2.71 -0.10 0.00 1.12 0.00 0.00 29.99 28.77 1ykp n HIS 48 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1ykp s ILE 49 N 3.20 1.84 -0.12 1.59 -4.36 -0.17 -4.71 121.20 118.48 1ykp s ILE 49 Ca 0.85 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.10 1ykp s ILE 49 Cb -0.54 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 40.76 1ykp s ILE 49 CO 0.41 -0.33 -0.21 -0.22 0.24 0.00 0.00 174.94 174.84 1ykp s LEU 50 N -3.46 2.02 0.22 0.37 2.96 -1.10 -2.08 118.68 117.61 1ykp s LEU 50 Ca 0.29 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.74 1ykp s LEU 50 Cb 0.02 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1ykp s LEU 50 CO 0.12 0.09 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.48 1ykp s LEU 51 N 0.68 3.24 -0.03 -0.68 1.43 0.50 -2.22 118.68 121.61 1ykp s LEU 51 Ca -0.11 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 1ykp s LEU 51 Cb -0.16 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.27 1ykp s LEU 51 CO 0.02 0.04 0.50 -1.48 0.23 0.00 0.00 176.35 175.66 1ykp s LEU 52 N -3.31 0.08 0.33 1.79 0.05 -0.96 0.60 118.68 117.25 1ykp s LEU 52 Ca 0.29 0.41 -0.17 0.00 0.05 0.00 0.00 54.13 54.70 1ykp s LEU 52 Cb -0.08 1.92 0.06 0.00 -2.05 0.00 0.00 46.19 46.05 1ykp s LEU 52 CO 0.19 -0.53 0.87 -0.83 -0.55 0.00 0.00 176.35 175.49 1ykp s GLY 53 N -1.27 0.31 0.11 -3.48 0.00 -1.20 -1.68 107.32 100.12 1ykp s GLY 53 Ca -0.12 -0.65 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1ykp s GLY 53 CO 0.07 0.54 -0.09 1.20 0.00 0.00 0.00 173.10 174.82 1ykp s GLN 54 N -2.20 0.92 -0.18 2.90 -0.21 -1.25 -2.18 119.66 117.46 1ykp s GLN 54 Ca 0.18 -1.31 -0.00 0.00 0.02 0.00 0.00 55.36 54.24 1ykp s GLN 54 Cb -0.04 -0.46 0.01 0.00 1.00 0.00 0.00 33.01 33.51 1ykp s GLN 54 CO 0.10 0.05 -0.15 0.08 -2.12 0.00 0.00 175.29 173.25 1ykp s VAL 55 N -3.11 2.54 0.10 1.09 1.01 -1.26 0.16 120.40 120.92 1ykp s VAL 55 Ca 0.11 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1ykp s VAL 55 Cb 0.02 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1ykp s VAL 55 CO -0.01 0.50 -0.03 -0.31 0.00 0.00 0.00 175.10 175.26 1ykp s TYR 56 N 1.19 2.92 0.00 5.22 1.51 0.11 -0.76 117.35 127.54 1ykp s TYR 56 Ca 0.02 -0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1ykp s TYR 56 Cb -0.14 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1ykp s TYR 56 CO -0.07 0.47 0.00 -0.40 -1.11 0.00 0.00 175.55 174.44 1ykp n ASP 57 N 0.57 0.00 0.25 2.29 5.68 -0.32 -2.28 116.55 122.74 1ykp n ASP 57 Ca -0.11 -0.52 0.16 0.00 -0.50 0.00 0.00 54.79 53.81 1ykp n ASP 57 Cb 0.52 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.11 1ykp n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ykp h GLY 58 N 0.00 0.00 -2.54 6.12 0.00 -1.89 -1.57 103.07 103.19 1ykp h GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ykp h GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1ykp n ASN 59 N -2.93 3.80 0.00 0.19 3.02 -1.26 -4.79 115.26 113.29 1ykp n ASN 59 Ca 0.01 -2.19 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 1ykp n ASN 59 Cb 0.31 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1ykp n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykp n GLY 60 N 1.27 0.49 3.83 7.41 0.00 -0.59 -5.04 105.19 112.56 1ykp n GLY 60 Ca 0.22 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1ykp n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ykp s HIS 61 N -2.00 3.36 0.31 1.61 3.76 -1.26 -4.82 115.29 116.25 1ykp s HIS 61 Ca 0.00 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 1ykp s HIS 61 Cb 0.00 -1.74 -0.10 0.00 1.11 0.00 0.00 32.58 31.85 1ykp s HIS 61 CO 0.00 0.57 1.34 -0.51 -0.85 0.00 0.00 174.74 175.30 1ykp s LEU 62 N -2.07 4.41 -0.59 0.89 1.43 -1.26 -1.17 118.68 120.32 1ykp s LEU 62 Ca 0.27 2.68 -0.20 0.00 -1.03 0.00 0.00 54.13 55.85 1ykp s LEU 62 Cb -0.12 -3.64 0.08 0.00 0.03 0.00 0.00 46.19 42.54 1ykp s LEU 62 CO 0.19 -0.58 0.77 -0.69 0.23 0.00 0.00 176.35 176.27 1ykp s VAL 63 N -0.82 4.67 -2.27 -1.59 1.01 0.06 -4.82 120.40 116.63 1ykp s VAL 63 Ca 0.52 -0.66 0.20 0.00 0.00 0.00 0.00 61.98 62.04 1ykp s VAL 63 Cb -0.40 -4.51 0.44 0.00 0.00 0.00 0.00 36.38 31.91 1ykp s VAL 63 CO 0.50 -1.16 1.45 0.54 0.00 0.00 0.00 175.10 176.44 1ykp n ARG 64 N 6.74 2.12 -0.35 2.72 1.74 -1.26 -4.15 116.66 124.21 1ykp n ARG 64 Ca -0.07 -1.70 0.08 0.00 -0.77 0.00 0.00 57.85 55.39 1ykp n ARG 64 Cb 0.44 -1.43 0.16 0.00 -1.02 0.00 0.00 32.46 30.61 1ykp n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ykp n ASP 65 N 0.90 1.97 -4.83 0.55 5.68 -1.26 -4.01 116.55 115.56 1ykp n ASP 65 Ca 0.17 -3.39 -0.32 0.00 -0.50 0.00 0.00 54.79 50.75 1ykp n ASP 65 Cb 0.45 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1ykp n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1ykp s SER 66 N -2.97 6.05 -0.06 -1.12 1.04 -1.26 -4.50 113.70 110.89 1ykp s SER 66 Ca 0.34 1.66 -0.02 0.00 0.48 0.00 0.00 55.95 58.41 1ykp s SER 66 Cb 0.31 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.96 1ykp s SER 66 CO -0.02 -0.98 0.11 0.12 0.98 0.00 0.00 173.24 173.45 1ykp s PHE 67 N -2.68 -0.09 0.00 5.02 5.36 0.13 -2.60 117.98 123.11 1ykp s PHE 67 Ca 0.60 0.40 0.08 0.00 -0.96 0.00 0.00 56.93 57.05 1ykp s PHE 67 Cb -0.13 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.32 1ykp s PHE 67 CO 0.40 -0.17 -0.26 -0.51 -1.46 0.00 0.00 175.22 173.22 1ykp s LEU 68 N 1.51 2.09 -0.04 6.12 1.02 -0.44 -1.01 118.68 127.92 1ykp s LEU 68 Ca -0.05 -0.50 0.06 0.00 0.02 0.00 0.00 54.13 53.65 1ykp s LEU 68 Cb -0.12 -1.30 -0.01 0.00 0.02 0.00 0.00 46.19 44.78 1ykp s LEU 68 CO -0.05 0.29 -0.22 -1.61 0.02 0.00 0.00 176.35 174.79 1ykp s GLU 69 N -0.82 2.08 0.13 1.70 2.02 -0.95 -1.40 118.70 121.47 1ykp s GLU 69 Ca 0.10 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.39 1ykp s GLU 69 Cb -0.10 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1ykp s GLU 69 CO 0.00 0.36 -0.17 0.14 0.02 0.00 0.00 175.26 175.61 1ykp s VAL 70 N -0.19 1.57 -0.11 2.63 -7.23 -0.96 0.79 120.40 116.90 1ykp s VAL 70 Ca -0.01 -1.76 -0.05 0.00 -1.81 0.00 0.00 61.98 58.35 1ykp s VAL 70 Cb -0.12 -1.64 0.05 0.00 0.56 0.00 0.00 36.38 35.23 1ykp s VAL 70 CO 0.02 -0.32 0.26 0.86 -0.31 0.00 0.00 175.10 175.60 1ykp s TRP 71 N -1.94 -0.36 -0.03 2.82 -0.00 -0.48 -1.87 118.94 117.07 1ykp s TRP 71 Ca 0.11 0.85 -0.18 0.00 -0.00 0.00 0.00 56.10 56.87 1ykp s TRP 71 Cb -0.06 0.03 0.03 0.00 -0.00 0.00 0.00 33.47 33.48 1ykp s TRP 71 CO 0.05 -0.27 0.40 1.14 -0.00 0.00 0.00 176.95 178.27 1ykp s GLN 72 N 1.55 0.75 0.61 5.86 -2.07 0.09 0.99 119.66 127.44 1ykp s GLN 72 Ca -0.07 -0.05 -0.18 0.00 -1.82 0.00 0.00 55.36 53.24 1ykp s GLN 72 Cb -0.11 0.34 -0.03 0.00 -1.09 0.00 0.00 33.01 32.13 1ykp s GLN 72 CO -0.09 -0.21 1.22 0.00 -1.32 0.00 0.00 175.29 174.90 1ykp s ALA 73 N -1.22 2.49 1.00 2.60 0.00 -1.26 -4.46 121.76 120.91 1ykp s ALA 73 Ca -0.12 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1ykp s ALA 73 Cb -0.04 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1ykp s ALA 73 CO 0.05 -1.29 0.00 -0.40 0.00 0.00 0.00 175.76 174.13 1ykp n ASP 74 N -1.73 -0.71 0.23 0.00 5.68 0.12 -4.33 116.55 115.82 1ykp n ASP 74 Ca 0.14 -0.33 0.06 0.00 -0.50 0.00 0.00 54.79 54.15 1ykp n ASP 74 Cb 0.49 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.00 1ykp n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ykp h ALA 75 N -2.00 1.69 -0.58 2.12 0.00 -1.84 0.24 119.26 118.88 1ykp h ALA 75 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ykp h ALA 75 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ykp h ALA 75 CO 0.00 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.55 1ykp n ASN 76 N -4.29 5.11 -1.53 0.00 3.02 -1.26 -3.81 115.26 112.50 1ykp n ASN 76 Ca -0.02 -2.68 -0.10 0.00 -0.03 0.00 0.00 54.58 51.75 1ykp n ASN 76 Cb 0.24 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 1ykp n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykp n GLY 77 N 0.83 0.22 3.25 7.41 0.00 0.54 -4.79 105.19 112.65 1ykp n GLY 77 Ca 0.26 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1ykp n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykp s GLU 78 N -5.18 2.05 -0.60 1.61 2.02 -1.25 -4.71 118.70 112.65 1ykp s GLU 78 Ca 0.16 -0.83 -0.27 0.00 0.02 0.00 0.00 54.97 54.05 1ykp s GLU 78 Cb -0.07 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.30 1ykp s GLU 78 CO 0.20 0.44 1.15 0.71 0.02 0.00 0.00 175.26 177.79 1ykp s TYR 79 N -0.38 2.60 -0.68 1.61 1.51 -1.26 0.15 117.35 120.89 1ykp s TYR 79 Ca 0.04 0.26 -0.25 0.00 -1.01 0.00 0.00 57.07 56.11 1ykp s TYR 79 Cb -0.11 -4.45 0.05 0.00 -0.11 0.00 0.00 41.96 37.34 1ykp s TYR 79 CO 0.01 -1.61 1.12 -0.65 -1.11 0.00 0.00 175.55 173.31 1ykp s GLN 80 N 4.86 3.19 0.10 -0.62 -1.52 -1.26 -4.84 119.66 119.56 1ykp s GLN 80 Ca 0.39 -0.45 0.24 0.00 -1.95 0.00 0.00 55.36 53.60 1ykp s GLN 80 Cb -0.09 -4.18 0.36 0.00 -0.22 0.00 0.00 33.01 28.89 1ykp s GLN 80 CO 0.23 -1.93 1.32 -0.40 -0.25 0.00 0.00 175.29 174.26 1ykp n ASP 81 N 8.50 0.65 -4.47 5.90 5.75 -1.26 -2.92 116.55 128.70 1ykp n ASP 81 Ca 0.01 0.06 -0.43 0.00 -0.01 0.00 0.00 54.79 54.41 1ykp n ASP 81 Cb 0.47 0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.74 1ykp n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ykp s ALA 82 N -3.14 3.13 0.16 2.12 0.00 -1.26 -4.96 121.76 117.81 1ykp s ALA 82 Ca 0.07 -2.26 -0.31 0.00 0.00 0.00 0.00 51.96 49.46 1ykp s ALA 82 Cb 0.14 -4.07 -0.08 0.00 0.00 0.00 0.00 23.12 19.11 1ykp s ALA 82 CO 0.72 -3.03 1.35 -0.47 0.00 0.00 0.00 175.76 174.34 1ykp s TYR 83 N 3.75 3.24 -0.20 0.00 5.04 -1.26 -5.00 117.35 122.91 1ykp s TYR 83 Ca 0.31 1.09 -0.10 0.00 -2.44 0.00 0.00 57.07 55.93 1ykp s TYR 83 Cb -0.09 -3.65 0.07 0.00 0.35 0.00 0.00 41.96 38.65 1ykp s TYR 83 CO -0.01 -2.14 0.47 1.21 -1.34 0.00 0.00 175.55 173.74 1ykp s ASN 84 N 0.68 -0.56 0.00 4.32 3.84 -1.26 -5.03 114.94 116.94 1ykp s ASN 84 Ca 0.60 1.05 0.14 0.00 0.21 0.00 0.00 52.86 54.85 1ykp s ASN 84 Cb -0.37 1.06 0.62 0.00 -0.55 0.00 0.00 41.25 42.01 1ykp s ASN 84 CO 0.35 -0.21 1.41 0.18 -2.79 0.00 0.00 177.10 176.04 1ykp n LEU 85 N 4.56 0.00 0.01 3.21 4.77 -1.26 -1.80 117.00 126.50 1ykp n LEU 85 Ca -0.19 0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1ykp n LEU 85 Cb 0.54 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 1ykp n LEU 85 CO 0.04 -0.23 -0.43 -0.33 -1.33 0.00 0.00 177.39 175.11 1ykp h GLU 86 N 0.00 0.09 -6.59 3.23 5.08 -2.00 -3.48 114.58 110.91 1ykp h GLU 86 Ca 0.00 -0.15 -0.58 0.00 -1.00 0.00 0.00 59.36 57.63 1ykp h GLU 86 Cb 0.20 0.05 0.16 0.00 0.50 0.00 0.00 28.75 29.67 1ykp h GLU 86 CO 0.00 0.78 -0.22 0.09 -1.00 0.00 0.00 179.01 178.66 1ykp n ASN 87 N -3.23 -0.40 0.22 1.42 4.13 -0.74 -4.93 115.26 111.74 1ykp n ASN 87 Ca -0.16 0.79 0.11 0.00 1.68 0.00 0.00 54.58 56.99 1ykp n ASN 87 Cb 1.03 -1.24 0.42 0.00 -1.54 0.00 0.00 39.78 38.46 1ykp n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ykp h ALA 88 N 0.44 0.98 -3.40 5.41 0.00 -1.93 -3.43 119.26 117.32 1ykp h ALA 88 Ca -0.46 -0.18 -0.35 0.00 0.00 0.00 0.00 54.91 53.92 1ykp h ALA 88 Cb 1.39 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.78 1ykp h ALA 88 CO 0.49 0.25 -0.74 0.12 0.00 0.00 0.00 179.25 179.37 1ykp s PHE 89 N -3.54 0.16 -0.10 0.00 5.36 -1.26 -0.15 117.98 118.45 1ykp s PHE 89 Ca 0.02 0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.13 1ykp s PHE 89 Cb 0.09 -0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 42.33 1ykp s PHE 89 CO 0.64 -0.16 -0.14 -0.80 -1.46 0.00 0.00 175.22 173.29 1ykp s ASN 90 N 1.60 3.95 0.00 6.13 0.01 -0.34 -4.94 114.94 121.35 1ykp s ASN 90 Ca -0.02 -0.30 0.24 0.00 -0.71 0.00 0.00 52.86 52.07 1ykp s ASN 90 Cb -0.13 -1.32 1.06 0.00 0.41 0.00 0.00 41.25 41.28 1ykp s ASN 90 CO -0.03 0.23 1.77 -1.20 -1.51 0.00 0.00 177.10 176.36 1ykp n SER 91 N 3.09 0.00 -4.49 -1.22 7.64 -1.15 -4.75 113.62 112.74 1ykp n SER 91 Ca -0.18 0.38 -0.32 0.00 1.01 0.00 0.00 58.87 59.76 1ykp n SER 91 Cb 0.53 -0.45 -0.12 0.00 -1.01 0.00 0.00 64.21 63.15 1ykp n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ykp s PHE 92 N -2.91 2.67 0.16 1.43 5.36 -1.26 -0.73 117.98 122.71 1ykp s PHE 92 Ca 0.14 -0.18 -0.02 0.00 -0.96 0.00 0.00 56.93 55.91 1ykp s PHE 92 Cb 0.16 -1.54 0.01 0.00 -0.34 0.00 0.00 43.02 41.30 1ykp s PHE 92 CO 0.42 0.26 0.25 0.41 -1.46 0.00 0.00 175.22 175.09 1ykp n GLY 93 N 1.77 2.47 3.18 13.12 0.00 -0.78 -4.89 105.19 120.06 1ykp n GLY 93 Ca -0.16 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 1ykp n GLY 93 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ykp s ARG 94 N -2.31 0.36 0.13 1.61 1.70 -0.56 -2.27 118.95 117.61 1ykp s ARG 94 Ca 0.12 0.38 -0.03 0.00 -0.47 0.00 0.00 55.73 55.73 1ykp s ARG 94 Cb -0.01 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 1ykp s ARG 94 CO 0.09 -0.05 0.11 -0.08 -1.08 0.00 0.00 175.30 174.30 1ykp s THR 95 N 0.09 0.10 0.14 4.99 -1.32 -0.49 -2.77 115.64 116.37 1ykp s THR 95 Ca -0.01 -1.75 -0.05 0.00 -1.21 0.00 0.00 61.69 58.67 1ykp s THR 95 Cb -0.02 -1.95 -0.02 0.00 -1.51 0.00 0.00 72.50 69.00 1ykp s THR 95 CO 0.01 -0.45 0.17 0.00 -2.21 0.00 0.00 174.62 172.13 1ykp s ALA 96 N -4.02 0.34 -0.17 11.08 0.00 -1.26 -1.33 121.76 126.40 1ykp s ALA 96 Ca 0.21 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1ykp s ALA 96 Cb 0.06 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1ykp s ALA 96 CO 0.00 -0.56 0.06 0.95 0.00 0.00 0.00 175.76 176.22 1ykp s THR 97 N -3.99 4.80 0.37 0.00 -4.23 -1.07 -4.04 115.64 107.48 1ykp s THR 97 Ca 0.18 -0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.74 1ykp s THR 97 Cb 0.05 -3.15 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 1ykp s THR 97 CO -0.01 0.48 0.09 0.42 -0.54 0.00 0.00 174.62 175.06 1ykp s THR 98 N 0.21 2.52 0.39 3.99 -4.23 1.62 -4.05 115.64 116.11 1ykp s THR 98 Ca 0.04 -1.84 0.15 0.00 -1.18 0.00 0.00 61.69 58.86 1ykp s THR 98 Cb -0.12 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.18 1ykp s THR 98 CO 0.00 -0.11 1.83 -0.26 -0.54 0.00 0.00 174.62 175.54 1ykp h PHE 99 N 1.64 0.65 0.58 3.99 0.04 -1.97 -1.89 116.94 119.98 1ykp h PHE 99 Ca -0.43 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 1ykp h PHE 99 Cb 1.25 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 39.21 1ykp h PHE 99 CO 0.67 0.16 -0.28 -0.44 -0.60 0.00 0.00 178.31 177.82 1ykp h ASP 100 N 0.48 -0.66 -2.81 2.17 3.32 -1.96 -3.37 116.42 113.59 1ykp h ASP 100 Ca 0.50 -0.02 -0.72 0.00 0.02 0.00 0.00 57.03 56.81 1ykp h ASP 100 Cb 1.15 0.17 -0.20 0.00 0.22 0.00 0.00 39.33 40.67 1ykp h ASP 100 CO -0.22 -0.27 0.67 0.00 -1.72 0.00 0.00 179.24 177.69 1ykp s ALA 101 N -4.78 3.66 0.51 3.45 0.00 -0.73 -4.93 121.76 118.94 1ykp s ALA 101 Ca -0.13 -3.00 0.42 0.00 0.00 0.00 0.00 51.96 49.24 1ykp s ALA 101 Cb 0.01 -3.90 2.13 0.00 0.00 0.00 0.00 23.12 21.37 1ykp s ALA 101 CO 0.42 -2.75 2.27 0.78 0.00 0.00 0.00 175.76 176.48 1ykp h GLY 102 N 9.52 0.00 -5.41 0.00 0.00 -1.70 4.97 103.07 110.45 1ykp h GLY 102 Ca 0.16 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.82 1ykp h GLY 102 CO 1.02 0.00 -0.61 1.85 0.00 0.00 0.00 176.54 178.80 1ykp s GLU 103 N -4.02 3.13 0.31 4.80 2.12 -1.26 -4.42 118.70 119.37 1ykp s GLU 103 Ca -0.03 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 54.94 1ykp s GLU 103 Cb 0.12 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 1ykp s GLU 103 CO 0.45 0.65 0.48 1.67 -0.54 0.00 0.00 175.26 177.96 1ykp s TRP 104 N -0.73 3.40 0.02 5.30 1.48 -0.93 -4.56 118.94 122.93 1ykp s TRP 104 Ca 0.12 0.11 -0.03 0.00 -1.06 0.00 0.00 56.10 55.23 1ykp s TRP 104 Cb -0.12 -1.82 -0.01 0.00 -1.16 0.00 0.00 33.47 30.36 1ykp s TRP 104 CO 0.02 0.18 0.05 0.95 -4.06 0.00 0.00 176.95 174.09 1ykp s THR 105 N -2.19 0.12 -0.07 0.66 -4.23 -1.26 -3.25 115.64 105.43 1ykp s THR 105 Ca 0.39 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1ykp s THR 105 Cb -0.09 -0.56 0.04 0.00 1.34 0.00 0.00 72.50 73.22 1ykp s THR 105 CO 0.33 -0.53 0.16 -0.22 -0.54 0.00 0.00 174.62 173.81 1ykp s LEU 106 N -1.72 0.81 -0.41 4.79 2.96 0.20 -4.86 118.68 120.45 1ykp s LEU 106 Ca -0.11 0.32 -0.14 0.00 -0.22 0.00 0.00 54.13 53.98 1ykp s LEU 106 Cb -0.06 0.43 0.03 0.00 0.50 0.00 0.00 46.19 47.09 1ykp s LEU 106 CO -0.02 -0.13 0.30 -1.00 -1.32 0.00 0.00 176.35 174.18 1ykp s HIS 107 N 0.99 3.24 0.20 5.38 3.76 -0.33 -0.37 115.29 128.17 1ykp s HIS 107 Ca -0.08 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1ykp s HIS 107 Cb -0.10 -2.64 -0.00 0.00 1.11 0.00 0.00 32.58 30.96 1ykp s HIS 107 CO -0.05 -0.62 0.26 -2.37 -0.85 0.00 0.00 174.74 171.11 1ykp n THR 108 N 5.14 0.00 -4.15 1.30 5.66 -0.88 -1.51 114.28 119.85 1ykp n THR 108 Ca -0.11 -1.14 -0.27 0.00 -3.05 0.00 0.00 64.05 59.48 1ykp n THR 108 Cb 0.46 0.66 -0.07 0.00 -1.55 0.00 0.00 70.33 69.84 1ykp n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ykp s VAL 109 N -2.69 4.05 0.18 1.08 -7.23 -1.26 -0.99 120.40 113.54 1ykp s VAL 109 Ca 0.19 -1.23 -0.31 0.00 -1.81 0.00 0.00 61.98 58.82 1ykp s VAL 109 Cb -0.00 -3.03 -0.10 0.00 0.56 0.00 0.00 36.38 33.81 1ykp s VAL 109 CO 0.13 -0.07 1.52 -0.75 -0.31 0.00 0.00 175.10 175.62 1ykp s LYS 110 N -2.90 4.24 0.69 4.82 2.20 -1.00 -4.86 119.74 122.93 1ykp s LYS 110 Ca 0.28 2.32 -0.11 0.00 -0.36 0.00 0.00 55.97 58.11 1ykp s LYS 110 Cb -0.10 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1ykp s LYS 110 CO 0.20 -0.55 1.06 -1.25 -0.36 0.00 0.00 175.35 174.45 1ykp s PRO 111 N 0.79 2.99 0.00 4.03 0.04 -1.26 -4.19 135.00 137.39 1ykp s PRO 111 Ca 0.67 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1ykp s PRO 111 Cb -0.43 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1ykp s PRO 111 CO 0.34 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1ykp n GLY 112 N -1.98 -0.62 3.62 0.56 0.00 0.45 -4.77 105.19 102.45 1ykp n GLY 112 Ca 0.07 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 1ykp n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykp s VAL 113 N -0.13 3.85 0.13 1.61 1.01 -1.26 -4.64 120.40 120.98 1ykp s VAL 113 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1ykp s VAL 113 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ykp s VAL 113 CO 0.00 0.48 -0.16 0.68 0.00 0.00 0.00 175.10 176.10 1ykp s VAL 114 N -0.95 1.49 0.46 2.92 -7.23 -1.26 -4.55 120.40 111.27 1ykp s VAL 114 Ca 0.16 -1.73 -0.08 0.00 -1.81 0.00 0.00 61.98 58.52 1ykp s VAL 114 Cb -0.11 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 1ykp s VAL 114 CO 0.06 -0.34 0.80 0.20 -0.31 0.00 0.00 175.10 175.51 1ykp s ASN 115 N -2.41 6.39 0.97 4.85 0.01 -1.26 -1.40 114.94 122.09 1ykp s ASN 115 Ca 0.10 1.08 -0.05 0.00 -0.71 0.00 0.00 52.86 53.27 1ykp s ASN 115 Cb -0.06 -2.31 0.07 0.00 0.41 0.00 0.00 41.25 39.37 1ykp s ASN 115 CO 0.04 -0.51 0.45 -0.46 -1.51 0.00 0.00 177.10 175.10 1ykp n ASN 116 N -1.82 0.06 -0.22 -1.22 0.23 0.69 -4.85 115.26 108.13 1ykp n ASN 116 Ca 0.02 -1.18 -0.09 0.00 -0.53 0.00 0.00 54.58 52.80 1ykp n ASN 116 Cb 0.54 -0.34 0.03 0.00 -2.08 0.00 0.00 39.78 37.93 1ykp n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ykp h ALA 117 N -1.83 0.83 0.00 -2.53 0.00 -1.99 -1.82 119.26 111.93 1ykp h ALA 117 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ykp h ALA 117 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ykp h ALA 117 CO 0.10 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1ykp n ALA 118 N -2.46 2.12 -0.01 0.00 0.00 -1.26 -4.91 120.51 113.99 1ykp n ALA 118 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ykp n ALA 118 Cb 0.31 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ykp n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ykp n GLY 119 N 0.09 1.30 3.72 0.00 0.00 -0.68 -5.05 105.19 104.57 1ykp n GLY 119 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1ykp n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykp s VAL 120 N -2.46 4.78 0.50 1.61 1.01 -1.26 -4.72 120.40 119.86 1ykp s VAL 120 Ca 0.00 1.96 -0.20 0.00 0.00 0.00 0.00 61.98 63.74 1ykp s VAL 120 Cb 0.00 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 1ykp s VAL 120 CO 0.00 0.23 1.06 -2.84 0.00 0.00 0.00 175.10 173.55 1ykp s PRO 121 N 0.62 3.69 0.18 2.72 0.02 -1.26 -0.22 135.00 140.74 1ykp s PRO 121 Ca 0.48 1.43 0.05 0.00 0.02 0.00 0.00 61.00 62.98 1ykp s PRO 121 Cb -0.21 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 1ykp s PRO 121 CO 0.27 -0.54 0.17 -1.64 -0.33 0.00 0.00 177.00 174.93 1ykp s MET 122 N -3.24 2.98 0.67 5.54 -1.94 -0.49 -4.35 119.30 118.48 1ykp s MET 122 Ca 0.69 -0.87 -0.13 0.00 -1.71 0.00 0.00 55.69 53.66 1ykp s MET 122 Cb -0.18 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 33.99 1ykp s MET 122 CO 0.22 0.47 1.08 0.00 -0.01 0.00 0.00 175.02 176.78 1ykp s ALA 123 N -1.82 2.54 0.12 3.03 0.00 -1.26 -4.19 121.76 120.17 1ykp s ALA 123 Ca 0.32 0.35 -0.35 0.00 0.00 0.00 0.00 51.96 52.28 1ykp s ALA 123 Cb -0.10 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.61 1ykp s ALA 123 CO 0.24 -1.25 1.45 -2.30 0.00 0.00 0.00 175.76 173.91 1ykp n PRO 124 N -2.69 1.62 -3.80 0.00 -0.02 -1.26 -4.84 135.00 124.00 1ykp n PRO 124 Ca 0.09 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1ykp n PRO 124 Cb 0.53 -2.28 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 1ykp n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ykp s HIS 125 N 0.68 -0.13 -0.13 6.00 -3.43 -1.26 -4.27 115.29 112.75 1ykp s HIS 125 Ca 0.82 0.20 -0.07 0.00 -0.80 0.00 0.00 55.06 55.21 1ykp s HIS 125 Cb -0.82 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.34 1ykp s HIS 125 CO 0.43 -0.33 0.13 0.42 -2.00 0.00 0.00 174.74 173.39 1ykp s ILE 126 N -1.17 5.45 -0.05 -5.38 1.01 -0.76 -4.65 121.20 115.66 1ykp s ILE 126 Ca -0.12 0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.58 1ykp s ILE 126 Cb -0.06 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1ykp s ILE 126 CO 0.03 0.59 0.37 0.20 0.00 0.00 0.00 174.94 176.13 1ykp s ASN 127 N -0.80 6.69 -0.02 3.58 0.01 0.28 -1.27 114.94 123.41 1ykp s ASN 127 Ca 0.14 0.82 0.05 0.00 -0.71 0.00 0.00 52.86 53.16 1ykp s ASN 127 Cb -0.12 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 1ykp s ASN 127 CO 0.03 0.27 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.08 1ykp s ILE 128 N -0.65 1.42 -0.10 0.60 1.01 0.01 -1.39 121.20 122.11 1ykp s ILE 128 Ca 0.22 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.14 1ykp s ILE 128 Cb -0.15 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1ykp s ILE 128 CO 0.11 0.40 -0.23 -0.44 0.00 0.00 0.00 174.94 174.78 1ykp s SER 129 N -0.35 3.19 -0.06 3.58 0.01 0.24 -0.59 113.70 119.71 1ykp s SER 129 Ca 0.05 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.81 1ykp s SER 129 Cb -0.08 -1.36 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 1ykp s SER 129 CO -0.00 0.17 -0.13 -0.22 0.41 0.00 0.00 173.24 173.47 1ykp s LEU 130 N 0.28 2.80 -0.01 2.44 2.96 0.97 -2.24 118.68 125.86 1ykp s LEU 130 Ca -0.16 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1ykp s LEU 130 Cb -0.17 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1ykp s LEU 130 CO 0.08 0.32 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.05 1ykp s PHE 131 N -0.60 0.38 0.25 5.38 0.40 -0.18 -0.85 117.98 122.76 1ykp s PHE 131 Ca 0.09 -0.06 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 1ykp s PHE 131 Cb -0.11 -0.32 0.06 0.00 0.51 0.00 0.00 43.02 43.16 1ykp s PHE 131 CO 0.01 -0.06 0.91 0.00 0.70 0.00 0.00 175.22 176.78 1ykp s ALA 132 N 0.29 -1.31 0.65 5.36 0.00 -1.26 -0.70 121.76 124.80 1ykp s ALA 132 Ca -0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 1ykp s ALA 132 Cb -0.06 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1ykp s ALA 132 CO -0.01 -1.03 1.25 -0.98 0.00 0.00 0.00 175.76 174.99 1ykp s ARG 133 N -2.70 2.57 0.00 0.00 1.70 -1.26 -2.09 118.95 117.17 1ykp s ARG 133 Ca 0.16 1.92 0.00 0.00 -0.47 0.00 0.00 55.73 57.34 1ykp s ARG 133 Cb -0.03 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.48 1ykp s ARG 133 CO 0.07 -1.55 0.00 0.41 -1.08 0.00 0.00 175.30 173.15 1ykp n GLY 134 N 0.66 2.13 3.51 3.88 0.00 -1.26 -5.00 105.19 109.12 1ykp n GLY 134 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1ykp n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykp s ILE 135 N -2.64 4.93 0.10 -0.61 1.01 -0.89 -4.97 121.20 118.13 1ykp s ILE 135 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1ykp s ILE 135 Cb 0.00 -3.41 -0.25 0.00 0.01 0.00 0.00 42.46 38.80 1ykp s ILE 135 CO 0.00 0.18 1.20 0.78 0.00 0.00 0.00 174.94 177.10 1ykp h ASN 136 N 8.36 0.26 -4.08 3.58 2.35 -1.90 -3.35 115.58 120.81 1ykp h ASN 136 Ca -0.34 -0.28 -0.38 0.00 -0.55 0.00 0.00 56.30 54.75 1ykp h ASN 136 Cb 1.17 -0.09 -0.28 0.00 0.05 0.00 0.00 38.32 39.18 1ykp h ASN 136 CO 0.59 1.21 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.29 1ykp s ILE 137 N -2.70 0.69 0.78 2.81 2.07 -1.26 -2.69 121.20 120.90 1ykp s ILE 137 Ca -0.02 -0.45 -0.11 0.00 -1.41 0.00 0.00 60.65 58.67 1ykp s ILE 137 Cb 0.08 -0.59 0.06 0.00 0.13 0.00 0.00 42.46 42.14 1ykp s ILE 137 CO 0.86 0.14 1.09 -1.38 -1.91 0.00 0.00 174.94 173.74 1ykp s HIS 138 N -0.31 2.61 0.00 3.50 -3.43 -1.26 -5.00 115.29 111.40 1ykp s HIS 138 Ca 0.02 1.49 -0.01 0.00 -0.80 0.00 0.00 55.06 55.76 1ykp s HIS 138 Cb -0.04 -3.05 -0.04 0.00 -1.43 0.00 0.00 32.58 28.03 1ykp s HIS 138 CO -0.00 -1.81 0.12 -0.51 -2.00 0.00 0.00 174.74 170.54 1ykp s LEU 139 N -5.92 4.08 -0.21 5.38 1.43 -0.03 -4.82 118.68 118.59 1ykp s LEU 139 Ca 0.61 0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1ykp s LEU 139 Cb -0.17 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1ykp s LEU 139 CO 0.56 0.26 0.06 -1.00 0.23 0.00 0.00 176.35 176.46 1ykp s HIS 140 N -1.26 3.17 0.32 0.29 3.76 -1.26 -0.02 115.29 120.28 1ykp s HIS 140 Ca 0.25 -0.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.08 1ykp s HIS 140 Cb -0.12 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 1ykp s HIS 140 CO 0.16 -0.06 0.22 -0.08 -0.85 0.00 0.00 174.74 174.13 1ykp s THR 141 N 0.89 0.12 -0.03 1.30 -1.32 0.25 0.10 115.64 116.94 1ykp s THR 141 Ca 0.04 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.55 1ykp s THR 141 Cb -0.14 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1ykp s THR 141 CO 0.03 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.18 1ykp s ARG 142 N -3.65 1.30 -0.27 7.08 0.52 -1.26 -0.81 118.95 121.86 1ykp s ARG 142 Ca 0.38 -0.42 -0.12 0.00 -0.52 0.00 0.00 55.73 55.04 1ykp s ARG 142 Cb 0.04 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.29 1ykp s ARG 142 CO 0.22 0.15 0.26 -1.17 0.02 0.00 0.00 175.30 174.78 1ykp s LEU 143 N 0.18 4.04 0.33 2.53 0.20 -0.39 -4.76 118.68 120.80 1ykp s LEU 143 Ca -0.04 0.12 0.09 0.00 0.69 0.00 0.00 54.13 54.99 1ykp s LEU 143 Cb -0.10 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1ykp s LEU 143 CO 0.01 -0.09 0.09 -0.31 -0.29 0.00 0.00 176.35 175.77 1ykp s TYR 144 N 1.80 2.68 -0.12 5.38 1.51 -0.11 -1.82 117.35 126.66 1ykp s TYR 144 Ca 0.10 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 1ykp s TYR 144 Cb -0.16 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1ykp s TYR 144 CO 0.10 0.41 0.02 -0.06 -1.11 0.00 0.00 175.55 174.92 1ykp s PHE 145 N -2.43 3.20 -0.21 2.71 0.40 -1.26 0.18 117.98 120.57 1ykp s PHE 145 Ca 0.36 0.13 0.27 0.00 -0.60 0.00 0.00 56.93 57.09 1ykp s PHE 145 Cb -0.03 -1.89 1.22 0.00 0.51 0.00 0.00 43.02 42.83 1ykp s PHE 145 CO 0.22 0.35 1.81 0.38 0.70 0.00 0.00 175.22 178.68 1ykp h ASP 146 N 5.70 0.00 -0.67 1.36 2.03 -1.47 -2.67 116.42 120.70 1ykp h ASP 146 Ca -0.45 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.70 1ykp h ASP 146 Cb 1.19 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.60 1ykp h ASP 146 CO 0.59 0.00 0.18 -0.90 -1.03 0.00 0.00 179.24 178.09 1ykp n ASP 147 N -2.49 5.01 -2.49 4.15 5.68 -1.26 -3.82 116.55 121.34 1ykp n ASP 147 Ca 0.01 -3.08 -0.13 0.00 -0.50 0.00 0.00 54.79 51.09 1ykp n ASP 147 Cb 0.20 -0.72 0.03 0.00 -1.14 0.00 0.00 41.12 39.48 1ykp n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ykp n GLU 148 N 0.12 2.50 -0.16 0.11 -0.58 -1.01 -4.88 120.64 116.73 1ykp n GLU 148 Ca 0.35 -3.83 0.06 0.00 -0.42 0.00 0.00 57.16 53.33 1ykp n GLU 148 Cb 1.29 -1.86 0.36 0.00 -0.57 0.00 0.00 31.44 30.66 1ykp n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykp h ALA 149 N 2.53 1.71 -0.14 0.62 0.00 -1.76 -0.63 119.26 121.59 1ykp h ALA 149 Ca 0.10 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1ykp h ALA 149 Cb 1.29 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ykp h ALA 149 CO 0.52 0.19 -0.73 1.96 0.00 0.00 0.00 179.25 181.19 1ykp h GLN 150 N 0.74 0.74 -0.46 0.00 4.20 -1.94 -1.85 115.11 116.53 1ykp h GLN 150 Ca 0.30 -0.61 -0.05 0.00 0.06 0.00 0.00 58.65 58.34 1ykp h GLN 150 Cb 0.23 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1ykp h GLN 150 CO -0.09 1.22 0.07 0.00 -0.67 0.00 0.00 178.83 179.36 1ykp h ALA 151 N 0.52 1.26 -0.30 3.87 0.00 -1.88 -2.93 119.26 119.80 1ykp h ALA 151 Ca -0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1ykp h ALA 151 Cb 1.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ykp h ALA 151 CO 0.15 0.51 -0.14 -0.91 0.00 0.00 0.00 179.25 178.86 1ykp h ASN 152 N 0.69 0.51 0.83 0.00 2.35 -1.02 -1.82 115.58 117.12 1ykp h ASN 152 Ca 0.15 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1ykp h ASN 152 Cb 0.32 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1ykp h ASN 152 CO 0.00 0.68 -0.11 0.00 -1.65 0.00 0.00 177.43 176.35 1ykp h ALA 153 N 1.38 1.05 -0.35 -0.83 0.00 -1.14 -2.91 119.26 116.46 1ykp h ALA 153 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ykp h ALA 153 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ykp h ALA 153 CO 0.03 0.14 0.00 1.63 0.00 0.00 0.00 179.25 181.05 1ykp n LYS 154 N -3.30 2.37 -2.23 0.00 4.76 -0.83 -4.91 118.16 114.02 1ykp n LYS 154 Ca -0.00 -2.01 -0.42 0.00 -2.87 0.00 0.00 58.31 53.01 1ykp n LYS 154 Cb 0.33 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1ykp n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykp n PRO 156 N 3.56 0.39 -0.13 0.00 -0.04 -1.26 -1.92 135.00 135.59 1ykp n PRO 156 Ca 0.09 0.05 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1ykp n PRO 156 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1ykp n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ykp n VAL 157 N -1.10 1.52 -0.17 0.52 0.31 -1.26 -3.76 118.33 114.39 1ykp n VAL 157 Ca 0.10 -0.29 -0.01 0.00 -0.01 0.00 0.00 64.34 64.12 1ykp n VAL 157 Cb 0.08 -1.97 0.07 0.00 -0.91 0.00 0.00 33.84 31.12 1ykp n VAL 157 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ykp h LEU 158 N -1.00 -0.14 -0.35 7.52 5.85 -1.89 -1.32 115.31 123.98 1ykp h LEU 158 Ca -0.58 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1ykp h LEU 158 Cb 1.50 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1ykp h LEU 158 CO -0.35 -0.05 0.12 0.59 -0.34 0.00 0.00 178.44 178.41 1ykp n ASN 159 N -5.20 0.14 0.09 1.25 3.02 -0.81 -1.20 115.26 112.55 1ykp n ASN 159 Ca 0.06 0.48 0.13 0.00 -0.03 0.00 0.00 54.58 55.22 1ykp n ASN 159 Cb 0.28 -0.48 0.37 0.00 -0.61 0.00 0.00 39.78 39.34 1ykp n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ykp n LEU 160 N -1.63 0.78 -4.59 3.41 4.77 -0.50 -4.53 117.00 114.72 1ykp n LEU 160 Ca -0.00 0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 56.06 1ykp n LEU 160 Cb 0.12 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1ykp n LEU 160 CO 0.02 -0.16 0.80 -0.63 -1.33 0.00 0.00 177.39 176.10 1ykp s ILE 161 N -3.11 4.48 0.13 -0.08 1.01 -0.34 -4.94 121.20 118.35 1ykp s ILE 161 Ca 0.10 1.02 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 1ykp s ILE 161 Cb 0.13 -4.42 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1ykp s ILE 161 CO 0.62 -0.73 1.56 -0.33 0.00 0.00 0.00 174.94 176.05 1ykp h GLU 162 N 8.83 -0.44 -5.97 2.79 5.08 -1.87 -3.41 114.58 119.58 1ykp h GLU 162 Ca -0.23 0.03 -0.57 0.00 -1.00 0.00 0.00 59.36 57.58 1ykp h GLU 162 Cb 1.07 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1ykp h GLU 162 CO 1.02 -0.30 0.27 -0.65 -1.00 0.00 0.00 179.01 178.36 1ykp s GLN 163 N -5.75 4.35 0.42 2.33 -1.52 -1.26 -4.99 119.66 113.23 1ykp s GLN 163 Ca -0.15 0.96 0.12 0.00 -1.95 0.00 0.00 55.36 54.34 1ykp s GLN 163 Cb 0.09 -3.53 0.96 0.00 -0.22 0.00 0.00 33.01 30.31 1ykp s GLN 163 CO 0.63 -0.18 1.99 -1.35 -0.25 0.00 0.00 175.29 176.12 1ykp h PRO 164 N 7.14 0.47 0.00 2.91 0.11 -2.00 -2.91 132.00 137.72 1ykp h PRO 164 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ykp h PRO 164 Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ykp h PRO 164 CO 0.80 0.31 0.00 1.04 -0.21 0.00 0.00 178.00 179.94 1ykp n GLN 165 N -4.47 0.19 0.00 1.05 3.00 -1.26 -2.37 117.38 113.52 1ykp n GLN 165 Ca 0.09 0.28 -0.07 0.00 -0.01 0.00 0.00 57.00 57.29 1ykp n GLN 165 Cb 0.31 -1.78 -0.13 0.00 0.00 0.00 0.00 30.24 28.64 1ykp n GLN 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ykp h ARG 166 N 0.00 0.00 -0.23 -1.09 3.08 -1.91 -3.29 114.38 110.93 1ykp h ARG 166 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1ykp h ARG 166 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1ykp h ARG 166 CO 0.00 0.58 -0.40 0.00 -1.07 0.00 0.00 179.97 179.08 1ykp h ARG 167 N 0.00 0.55 -0.97 0.04 3.08 -1.39 -2.56 114.38 113.12 1ykp h ARG 167 Ca -0.21 -0.27 0.26 0.00 0.07 0.00 0.00 59.98 59.83 1ykp h ARG 167 Cb 1.91 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.91 1ykp h ARG 167 CO 0.09 0.85 0.68 0.93 -1.07 0.00 0.00 179.97 181.44 1ykp h GLU 168 N 0.45 0.15 0.00 0.04 5.08 -1.57 -2.33 114.58 116.39 1ykp h GLU 168 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ykp h GLU 168 Cb 0.89 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1ykp h GLU 168 CO 0.08 0.10 0.00 1.79 -1.00 0.00 0.00 179.01 179.97 1ykp h THR 169 N 0.15 0.00 -0.01 1.13 1.35 -1.63 -2.34 112.91 111.57 1ykp h THR 169 Ca 0.49 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1ykp h THR 169 Cb 1.66 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1ykp h THR 169 CO -0.09 0.00 -0.16 0.18 -0.25 0.00 0.00 175.52 175.19 1ykp n LEU 170 N -3.01 1.10 -4.39 3.87 4.77 -0.88 -4.81 117.00 113.66 1ykp n LEU 170 Ca -0.01 -0.30 -0.44 0.00 -0.03 0.00 0.00 56.01 55.22 1ykp n LEU 170 Cb 0.18 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1ykp n LEU 170 CO 0.23 0.20 0.44 -0.63 -1.33 0.00 0.00 177.39 176.29 1ykp s ILE 171 N -2.35 4.78 0.39 -0.08 1.01 -0.88 -0.94 121.20 123.14 1ykp s ILE 171 Ca 0.29 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 1ykp s ILE 171 Cb 0.20 -4.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.07 1ykp s ILE 171 CO 0.46 -1.13 1.48 0.00 0.00 0.00 0.00 174.94 175.75 1ykp n ALA 172 N 6.45 2.35 -2.63 9.38 0.00 0.47 -4.84 120.51 131.68 1ykp n ALA 172 Ca -0.09 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.29 1ykp n ALA 172 Cb 0.43 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.37 1ykp n ALA 172 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ykp s LYS 173 N -2.18 4.06 0.24 0.00 -0.14 -0.69 -1.18 119.74 119.84 1ykp s LYS 173 Ca 0.55 0.06 -0.31 0.00 -1.36 0.00 0.00 55.97 54.90 1ykp s LYS 173 Cb -0.47 -3.62 -0.12 0.00 -1.68 0.00 0.00 37.83 31.94 1ykp s LYS 173 CO 0.63 -0.19 1.61 -2.13 -0.76 0.00 0.00 175.35 174.51 1ykp n ARG 174 N 5.04 2.55 -1.93 1.68 0.63 -1.26 -1.27 116.66 122.09 1ykp n ARG 174 Ca -0.09 0.91 -0.03 0.00 -0.92 0.00 0.00 57.85 57.73 1ykp n ARG 174 Cb 0.51 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.72 1ykp n ARG 174 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ykp s GLU 176 N -2.09 0.88 -0.16 0.00 2.02 -1.26 -2.02 118.70 116.07 1ykp s GLU 176 Ca 0.06 -0.09 0.01 0.00 0.02 0.00 0.00 54.97 54.97 1ykp s GLU 176 Cb -0.01 -0.95 0.02 0.00 0.10 0.00 0.00 34.13 33.29 1ykp s GLU 176 CO 0.04 -0.13 -0.19 0.08 0.02 0.00 0.00 175.26 175.08 1ykp s VAL 177 N 1.16 1.91 -1.42 2.63 1.01 -1.08 -4.65 120.40 119.96 1ykp s VAL 177 Ca -0.07 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1ykp s VAL 177 Cb -0.14 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1ykp s VAL 177 CO -0.01 0.52 0.66 0.47 0.00 0.00 0.00 175.10 176.73 1ykp n ASP 178 N 4.55 -4.44 -1.97 3.32 8.00 -1.26 -2.41 116.55 122.33 1ykp n ASP 178 Ca -0.20 -0.50 -0.18 0.00 0.71 0.00 0.00 54.79 54.62 1ykp n ASP 178 Cb 0.50 -3.61 -0.04 0.00 -0.02 0.00 0.00 41.12 37.95 1ykp n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ykp n GLY 179 N -1.39 0.59 3.36 0.44 0.00 -1.26 -4.98 105.19 101.95 1ykp n GLY 179 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1ykp n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ykp s LYS 180 N -4.28 2.48 0.29 1.61 2.47 -1.01 -5.08 119.74 116.21 1ykp s LYS 180 Ca 0.00 -0.83 -0.30 0.00 -1.56 0.00 0.00 55.97 53.28 1ykp s LYS 180 Cb 0.00 -2.24 -0.12 0.00 -1.46 0.00 0.00 37.83 34.02 1ykp s LYS 180 CO 0.00 0.50 1.62 2.41 0.16 0.00 0.00 175.35 180.04 1ykp n THR 181 N 2.64 0.92 -3.93 3.43 -1.04 -1.26 -2.64 114.28 112.39 1ykp n THR 181 Ca -0.17 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.05 61.53 1ykp n THR 181 Cb 0.52 -1.98 -0.08 0.00 -1.82 0.00 0.00 70.33 66.96 1ykp n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ykp s ALA 182 N 0.12 -0.00 0.00 2.41 0.00 -0.86 -2.70 121.76 120.74 1ykp s ALA 182 Ca 0.65 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1ykp s ALA 182 Cb -0.49 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1ykp s ALA 182 CO 0.47 -0.42 -0.10 0.71 0.00 0.00 0.00 175.76 176.42 1ykp s TYR 183 N -3.52 0.86 -0.24 0.00 1.51 -0.94 -1.93 117.35 113.10 1ykp s TYR 183 Ca 0.03 -0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 55.82 1ykp s TYR 183 Cb 0.04 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.33 1ykp s TYR 183 CO -0.09 -0.01 0.02 0.50 -1.11 0.00 0.00 175.55 174.86 1ykp s ARG 184 N -0.45 3.50 -0.25 -0.62 3.52 -0.40 -2.28 118.95 121.98 1ykp s ARG 184 Ca 0.02 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 1ykp s ARG 184 Cb -0.05 -3.18 0.07 0.00 -1.56 0.00 0.00 34.95 30.23 1ykp s ARG 184 CO -0.00 -0.21 -0.01 0.12 -0.81 0.00 0.00 175.30 174.39 1ykp s PHE 185 N 1.55 2.22 -0.07 5.12 5.36 -0.68 -1.70 117.98 129.78 1ykp s PHE 185 Ca 0.06 -1.73 -0.12 0.00 -0.96 0.00 0.00 56.93 54.18 1ykp s PHE 185 Cb -0.15 -1.63 -0.05 0.00 -0.34 0.00 0.00 43.02 40.85 1ykp s PHE 185 CO 0.00 -0.78 0.29 -0.51 -1.46 0.00 0.00 175.22 172.76 1ykp s ASP 186 N 1.45 6.59 -0.24 6.13 1.01 -1.26 -3.84 116.67 126.52 1ykp s ASP 186 Ca -0.01 0.71 -0.07 0.00 0.71 0.00 0.00 52.55 53.88 1ykp s ASP 186 Cb -0.18 -2.17 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1ykp s ASP 186 CO -0.09 0.32 0.05 -0.63 0.21 0.00 0.00 175.17 175.03 1ykp s ILE 187 N -0.82 4.19 -0.34 0.77 1.01 0.12 -4.94 121.20 121.20 1ykp s ILE 187 Ca 0.19 -0.22 -0.13 0.00 0.00 0.00 0.00 60.65 60.50 1ykp s ILE 187 Cb -0.14 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1ykp s ILE 187 CO 0.08 0.36 0.24 -0.13 0.00 0.00 0.00 174.94 175.49 1ykp s ARG 188 N 1.50 3.45 0.18 2.79 0.52 -1.26 0.08 118.95 126.20 1ykp s ARG 188 Ca 0.06 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 54.53 1ykp s ARG 188 Cb -0.15 -3.80 0.06 0.00 0.52 0.00 0.00 34.95 31.59 1ykp s ARG 188 CO 0.03 -0.46 1.51 0.82 0.02 0.00 0.00 175.30 177.22 1ykp h ILE 189 N 5.51 1.29 -2.72 1.52 2.04 -1.76 0.23 117.51 123.63 1ykp h ILE 189 Ca -0.31 -1.63 -0.10 0.00 1.00 0.00 0.00 64.86 63.82 1ykp h ILE 189 Cb 1.15 1.53 -0.21 0.00 -0.74 0.00 0.00 36.82 38.56 1ykp h ILE 189 CO 0.64 0.53 -0.16 -1.58 0.00 0.00 0.00 178.15 177.57 1ykp s GLN 190 N -4.24 0.70 0.00 2.37 0.74 -1.26 -4.72 119.66 113.24 1ykp s GLN 190 Ca -0.09 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.46 1ykp s GLN 190 Cb 0.11 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.55 1ykp s GLN 190 CO 0.86 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 1ykp n GLY 191 N 1.68 0.29 3.68 2.59 0.00 -1.26 -3.82 105.19 108.35 1ykp n GLY 191 Ca -0.19 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 1ykp n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykp s GLU 192 N 0.00 4.35 -0.10 1.61 2.12 -1.26 -2.55 118.70 122.87 1ykp s GLU 192 Ca 0.00 1.44 0.00 0.00 0.36 0.00 0.00 54.97 56.77 1ykp s GLU 192 Cb 0.00 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.80 1ykp s GLU 192 CO 0.00 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 174.68 1ykp n GLY 193 N 3.23 0.38 3.75 -1.50 0.00 -1.26 -4.97 105.19 104.82 1ykp n GLY 193 Ca 0.10 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1ykp n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykp n GLU 194 N -1.81 2.49 -2.52 1.61 2.13 -1.06 -4.56 120.64 116.92 1ykp n GLU 194 Ca -0.01 0.87 -0.36 0.00 0.66 0.00 0.00 57.16 58.32 1ykp n GLU 194 Cb 0.33 -2.57 -0.04 0.00 0.27 0.00 0.00 31.44 29.44 1ykp n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykp s THR 195 N -1.12 3.70 0.35 6.31 2.01 0.81 -4.94 115.64 122.76 1ykp s THR 195 Ca 0.54 1.22 -0.27 0.00 0.31 0.00 0.00 61.69 63.50 1ykp s THR 195 Cb -0.50 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1ykp s THR 195 CO 0.63 -0.07 1.12 -0.69 -0.69 0.00 0.00 174.62 174.92 1ykp s VAL 196 N -1.75 3.38 0.10 3.82 1.01 -1.26 -4.97 120.40 120.72 1ykp s VAL 196 Ca 0.61 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.93 1ykp s VAL 196 Cb -0.21 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1ykp s VAL 196 CO 0.26 0.19 -0.25 -0.36 0.00 0.00 0.00 175.10 174.93 1ykp s PHE 197 N -1.35 2.14 0.48 5.22 0.08 -1.26 -4.73 117.98 118.57 1ykp s PHE 197 Ca 0.51 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.24 1ykp s PHE 197 Cb -0.30 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 1ykp s PHE 197 CO 0.38 0.24 0.40 -0.06 -0.10 0.00 0.00 175.22 176.08 1ykp s PHE 198 N -1.01 2.16 -0.06 0.36 0.08 0.11 -4.97 117.98 114.65 1ykp s PHE 198 Ca 0.11 -0.66 -0.05 0.00 0.12 0.00 0.00 56.93 56.45 1ykp s PHE 198 Cb -0.10 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1ykp s PHE 198 CO 0.04 -0.31 0.16 0.34 -0.10 0.00 0.00 175.22 175.35 1ykp s ASP 199 N -4.21 -0.16 0.00 1.36 3.68 -1.26 -4.31 116.67 111.78 1ykp s ASP 199 Ca 0.43 0.32 0.00 0.00 2.13 0.00 0.00 52.55 55.42 1ykp s ASP 199 Cb -0.02 0.30 0.00 0.00 -1.45 0.00 0.00 42.92 41.75 1ykp s ASP 199 CO 0.25 -0.07 0.00 2.22 0.13 0.00 0.00 175.17 177.70