#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 4.81 -0.26 4.25 -1.09 -1.26 -5.03 121.20 122.62 1ykp s ILE 2 Ca 0.00 1.56 -0.15 0.00 -2.23 0.00 0.00 60.65 59.83 1ykp s ILE 2 Cb 0.00 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1ykp s ILE 2 CO 0.00 -0.12 0.35 -1.61 -1.23 0.00 0.00 174.94 172.34 1ykp s GLU 3 N 2.91 4.04 0.84 2.79 0.41 -1.26 -5.11 118.70 123.32 1ykp s GLU 3 Ca 0.35 0.02 -0.07 0.00 -0.41 0.00 0.00 54.97 54.87 1ykp s GLU 3 Cb -0.15 -3.63 0.18 0.00 -1.78 0.00 0.00 34.13 28.75 1ykp s GLU 3 CO 0.08 -0.22 1.15 -0.51 -0.49 0.00 0.00 175.26 175.28 1ykp s LEU 4 N 1.89 2.86 0.54 1.80 1.02 -1.26 -5.05 118.68 120.48 1ykp s LEU 4 Ca 0.15 -0.26 -0.21 0.00 0.02 0.00 0.00 54.13 53.83 1ykp s LEU 4 Cb -0.16 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 1ykp s LEU 4 CO 0.09 -2.36 1.25 -0.76 0.02 0.00 0.00 176.35 174.59 1ykp s LEU 5 N -5.49 3.82 0.27 1.79 1.43 -1.26 -4.97 118.68 114.27 1ykp s LEU 5 Ca 0.72 2.50 -0.28 0.00 -1.03 0.00 0.00 54.13 56.03 1ykp s LEU 5 Cb -0.03 -4.40 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 1ykp s LEU 5 CO 0.49 -1.41 0.92 -2.84 0.23 0.00 0.00 176.35 173.74 1ykp s PRO 6 N -3.02 4.71 0.25 1.29 0.02 -1.26 -4.98 135.00 132.00 1ykp s PRO 6 Ca 0.72 1.38 -0.31 0.00 0.02 0.00 0.00 61.00 62.81 1ykp s PRO 6 Cb -0.33 -3.07 -0.14 0.00 0.02 0.00 0.00 34.50 30.98 1ykp s PRO 6 CO 0.38 0.42 1.29 -1.91 -0.33 0.00 0.00 177.00 176.86 1ykp n GLU 7 N 1.09 1.81 -1.73 5.54 2.13 -1.26 -4.93 120.64 123.29 1ykp n GLU 7 Ca -0.01 0.64 -0.42 0.00 0.66 0.00 0.00 57.16 58.03 1ykp n GLU 7 Cb 0.49 -2.22 -0.02 0.00 0.27 0.00 0.00 31.44 29.95 1ykp n GLU 7 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1ykp n THR 8 N 1.35 0.83 -2.14 6.31 -1.04 -1.26 -4.94 114.28 113.39 1ykp n THR 8 Ca 0.11 -0.21 -0.37 0.00 -2.04 0.00 0.00 64.05 61.54 1ykp n THR 8 Cb 0.31 -1.90 0.01 0.00 -1.82 0.00 0.00 70.33 66.93 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 -0.20 3.52 0.80 -2.82 0.02 -1.26 -5.01 135.00 130.04 1ykp s PRO 9 Ca 0.67 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 1ykp s PRO 9 Cb -0.52 -2.29 0.07 0.00 0.02 0.00 0.00 34.50 31.78 1ykp s PRO 9 CO 0.46 -0.77 1.11 0.45 -0.33 0.00 0.00 177.00 177.92 1ykp s SER 10 N -1.34 4.14 -0.01 2.53 0.15 -1.26 -5.08 113.70 112.82 1ykp s SER 10 Ca 0.67 1.95 -0.13 0.00 0.70 0.00 0.00 55.95 59.15 1ykp s SER 10 Cb -0.31 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.48 1ykp s SER 10 CO 0.36 -2.28 0.26 -1.10 1.20 0.00 0.00 173.24 171.69 1ykp s GLN 11 N -4.73 0.61 0.51 5.44 -1.52 -1.16 -4.89 119.66 113.92 1ykp s GLN 11 Ca 0.64 -0.23 -0.21 0.00 -1.95 0.00 0.00 55.36 53.61 1ykp s GLN 11 Cb -0.19 0.27 -0.08 0.00 -0.22 0.00 0.00 33.01 32.79 1ykp s GLN 11 CO 0.55 -0.16 0.95 -2.37 -0.25 0.00 0.00 175.29 174.01 1ykp n THR 12 N 1.37 2.96 0.98 -0.19 5.66 -1.09 -4.81 114.28 119.16 1ykp n THR 12 Ca -0.22 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.42 1ykp n THR 12 Cb 0.56 -1.13 0.55 0.00 -1.55 0.00 0.00 70.33 68.77 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 -1.14 2.52 -0.17 1.79 0.00 -1.26 -5.03 120.51 117.22 1ykp n ALA 13 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1ykp n ALA 13 Cb 0.44 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 1.49 -2.30 0.19 0.00 0.00 -1.26 -3.57 105.19 99.74 1ykp n GLY 14 Ca 0.07 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.17 0.00 -0.64 1.61 0.13 -1.94 -3.15 132.00 127.85 1ykp h PRO 15 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ykp h PRO 15 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1ykp h PRO 15 CO 0.01 0.36 0.00 0.66 -0.23 0.00 0.00 178.00 178.80 1ykp n TYR 16 N -3.89 1.64 -0.37 1.56 4.01 -1.26 -4.50 117.16 114.36 1ykp n TYR 16 Ca -0.01 -0.59 0.33 0.00 -0.16 0.00 0.00 57.90 57.46 1ykp n TYR 16 Cb 0.42 -0.38 0.60 0.00 -0.31 0.00 0.00 39.34 39.66 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 3.48 0.07 -0.95 -0.72 3.04 -1.60 -0.47 116.25 119.09 1ykp h VAL 17 Ca 0.00 -0.02 0.18 0.00 -1.01 0.00 0.00 66.70 65.85 1ykp h VAL 17 Cb 1.63 -0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 30.82 1ykp h VAL 17 CO 0.36 0.01 0.61 0.45 -1.01 0.00 0.00 177.57 177.98 1ykp h HIS 18 N 0.06 0.86 -0.19 3.17 3.86 -1.83 -2.00 115.15 119.08 1ykp h HIS 18 Ca 0.83 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 60.06 1ykp h HIS 18 Cb 2.31 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 30.50 1ykp h HIS 18 CO -0.01 0.24 0.07 -0.84 0.86 0.00 0.00 177.93 178.25 1ykp h ILE 19 N 0.66 1.08 0.00 2.45 3.07 -1.29 0.10 117.51 123.59 1ykp h ILE 19 Ca 0.51 -0.27 -0.11 0.00 1.55 0.00 0.00 64.86 66.55 1ykp h ILE 19 Cb 0.92 0.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.32 1ykp h ILE 19 CO -0.27 0.10 -1.93 0.61 -1.05 0.00 0.00 178.15 175.61 1ykp n GLY 20 N -1.35 -1.07 0.00 0.16 0.00 -0.81 -4.56 105.19 97.56 1ykp n GLY 20 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.49 0.01 -3.09 0.99 4.77 -0.85 -4.84 117.00 111.50 1ykp n LEU 21 Ca -0.11 -0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 55.30 1ykp n LEU 21 Cb 0.74 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.78 1ykp n LEU 21 CO 0.44 0.00 -0.16 0.00 -1.33 0.00 0.00 177.39 176.35 1ykp n ALA 22 N -0.73 1.31 -0.09 -1.18 0.00 0.32 -4.96 120.51 115.18 1ykp n ALA 22 Ca 0.00 -2.73 -0.06 0.00 0.00 0.00 0.00 53.44 50.65 1ykp n ALA 22 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 4.33 -0.37 0.27 0.00 4.07 -1.73 -1.88 115.31 120.01 1ykp h LEU 23 Ca 0.05 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1ykp h LEU 23 Cb 0.94 0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.87 1ykp h LEU 23 CO 0.38 -0.13 -0.51 -0.08 -1.08 0.00 0.00 178.44 177.03 1ykp h GLU 24 N -0.03 -0.81 -1.00 1.13 4.81 -1.87 -1.71 114.58 115.11 1ykp h GLU 24 Ca 0.16 0.06 0.23 0.00 -0.13 0.00 0.00 59.36 59.68 1ykp h GLU 24 Cb 0.28 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 1ykp h GLU 24 CO -0.36 -0.54 0.63 0.00 -0.73 0.00 0.00 179.01 178.01 1ykp h ALA 25 N -0.61 2.05 0.00 2.92 0.00 -1.88 0.96 119.26 122.70 1ykp h ALA 25 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ykp h ALA 25 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ykp h ALA 25 CO -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.63 1ykp n ALA 26 N -2.43 2.45 -2.36 0.00 0.00 -0.71 -4.86 120.51 112.58 1ykp n ALA 26 Ca 0.23 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.42 1ykp n ALA 26 Cb 0.74 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 0.53 -0.38 3.82 0.00 0.00 0.33 -4.97 105.19 104.52 1ykp n GLY 27 Ca 0.08 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.20 5.52 0.32 1.61 0.01 -0.69 -5.03 114.94 114.48 1ykp s ASN 28 Ca 0.01 -0.22 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 1ykp s ASN 28 Cb -0.00 -1.42 -0.10 0.00 0.41 0.00 0.00 41.25 40.14 1ykp s ASN 28 CO 0.01 -0.01 1.29 -2.16 -1.51 0.00 0.00 177.10 174.72 1ykp s PRO 29 N -3.66 4.39 0.86 -0.60 0.04 -1.26 -4.10 135.00 130.67 1ykp s PRO 29 Ca 0.32 2.17 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 1ykp s PRO 29 Cb -0.08 -3.09 0.15 0.00 0.04 0.00 0.00 34.50 31.52 1ykp s PRO 29 CO 0.25 -0.15 1.20 0.95 0.04 0.00 0.00 177.00 179.28 1ykp s THR 30 N -1.06 2.07 0.45 1.26 -4.23 -1.26 -4.85 115.64 108.01 1ykp s THR 30 Ca 0.49 -0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.92 1ykp s THR 30 Cb -0.39 -2.91 0.02 0.00 1.34 0.00 0.00 72.50 70.56 1ykp s THR 30 CO 0.51 0.00 0.55 -0.13 -0.54 0.00 0.00 174.62 175.01 1ykp s ARG 31 N -5.61 2.65 0.13 3.99 0.52 -1.26 -5.05 118.95 114.33 1ykp s ARG 31 Ca 0.69 -1.41 -0.19 0.00 -0.52 0.00 0.00 55.73 54.31 1ykp s ARG 31 Cb -0.06 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.78 1ykp s ARG 31 CO 0.50 -0.36 1.73 -0.44 0.02 0.00 0.00 175.30 176.74 1ykp h ASP 32 N 0.66 -0.04 -3.31 0.23 3.32 -2.08 -3.40 116.42 111.80 1ykp h ASP 32 Ca -0.39 0.05 -0.66 0.00 0.02 0.00 0.00 57.03 56.05 1ykp h ASP 32 Cb 1.28 0.07 -0.31 0.00 0.22 0.00 0.00 39.33 40.60 1ykp h ASP 32 CO 0.48 0.01 -0.77 -1.10 -1.72 0.00 0.00 179.24 176.14 1ykp s GLN 33 N -6.19 3.19 -0.04 3.56 -0.21 -1.26 -5.13 119.66 113.59 1ykp s GLN 33 Ca -0.13 -0.73 0.06 0.00 0.02 0.00 0.00 55.36 54.58 1ykp s GLN 33 Cb 0.10 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 1ykp s GLN 33 CO 0.69 -0.23 -0.23 -1.21 -2.12 0.00 0.00 175.29 172.19 1ykp s GLU 34 N 1.40 2.13 -0.54 2.91 0.41 -1.26 -5.13 118.70 118.63 1ykp s GLU 34 Ca 0.05 -0.82 -0.24 0.00 -0.41 0.00 0.00 54.97 53.55 1ykp s GLU 34 Cb -0.14 -1.91 0.04 0.00 -1.78 0.00 0.00 34.13 30.34 1ykp s GLU 34 CO -0.06 0.41 0.90 0.42 -0.49 0.00 0.00 175.26 176.44 1ykp s ILE 35 N -0.29 4.45 0.00 -1.63 1.01 -1.26 -4.96 121.20 118.53 1ykp s ILE 35 Ca 0.02 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1ykp s ILE 35 Cb -0.11 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1ykp s ILE 35 CO 0.01 -1.06 0.00 1.87 0.00 0.00 0.00 174.94 175.77 1ykp n TRP 36 N 7.29 0.00 -0.73 3.97 -0.00 -1.26 -4.63 117.44 122.08 1ykp n TRP 36 Ca 0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.60 1ykp n TRP 36 Cb 0.47 0.00 0.36 0.00 -0.00 0.00 0.00 31.31 32.14 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 4.95 -4.08 5.87 6.94 -1.14 -1.63 115.26 126.18 1ykp n ASN 37 Ca 0.00 -2.63 -0.34 0.00 -0.02 0.00 0.00 54.58 51.59 1ykp n ASN 37 Cb 0.00 -0.60 -0.13 0.00 -2.36 0.00 0.00 39.78 36.69 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 -2.18 1.85 0.31 -3.83 0.52 -1.26 -0.98 118.95 113.38 1ykp s ARG 38 Ca 0.51 -1.90 0.16 0.00 -0.52 0.00 0.00 55.73 53.98 1ykp s ARG 38 Cb 0.35 -3.46 0.22 0.00 0.52 0.00 0.00 34.95 32.58 1ykp s ARG 38 CO 0.21 -1.03 1.51 -0.07 0.02 0.00 0.00 175.30 175.94 1ykp h LEU 39 N 7.80 0.00 -8.18 2.53 4.07 -1.24 -3.44 115.31 116.85 1ykp h LEU 39 Ca -0.09 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.28 1ykp h LEU 39 Cb 1.03 0.00 -0.33 0.00 1.08 0.00 0.00 40.66 42.44 1ykp h LEU 39 CO 0.64 0.46 -0.84 0.00 -1.08 0.00 0.00 178.44 177.62 1ykp s ALA 40 N -3.10 1.64 0.34 1.53 0.00 -1.24 -0.55 121.76 120.38 1ykp s ALA 40 Ca 0.03 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.06 1ykp s ALA 40 Cb 0.08 -0.62 -0.10 0.00 0.00 0.00 0.00 23.12 22.48 1ykp s ALA 40 CO 0.73 0.23 0.95 0.15 0.00 0.00 0.00 175.76 177.82 1ykp s LYS 41 N 0.35 4.51 0.15 0.00 1.02 0.32 -4.85 119.74 121.24 1ykp s LYS 41 Ca -0.12 1.32 -0.03 0.00 0.02 0.00 0.00 55.97 57.16 1ykp s LYS 41 Cb -0.15 -2.71 0.28 0.00 -0.52 0.00 0.00 37.83 34.73 1ykp s LYS 41 CO 0.05 0.21 0.84 -2.30 -0.92 0.00 0.00 175.35 173.23 1ykp n PRO 42 N 0.37 -0.05 -0.33 -1.68 -0.02 -1.26 -0.46 135.00 131.57 1ykp n PRO 42 Ca 0.03 0.84 -0.06 0.00 -2.02 0.00 0.00 63.50 62.28 1ykp n PRO 42 Cb 0.50 -1.26 0.04 0.00 -0.02 0.00 0.00 33.50 32.76 1ykp n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ykp n ASP 43 N -4.84 3.46 -4.89 2.55 5.75 -1.26 -4.96 116.55 112.37 1ykp n ASP 43 Ca 0.09 -2.42 -0.30 0.00 -0.01 0.00 0.00 54.79 52.15 1ykp n ASP 43 Cb 0.30 -0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 39.71 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 -0.80 3.90 0.42 2.12 0.00 0.40 -5.03 121.76 122.77 1ykp s ALA 44 Ca 0.14 -0.91 -0.26 0.00 0.00 0.00 0.00 51.96 50.93 1ykp s ALA 44 Cb 0.11 -1.73 -0.09 0.00 0.00 0.00 0.00 23.12 21.42 1ykp s ALA 44 CO 0.02 0.77 1.37 -1.25 0.00 0.00 0.00 175.76 176.68 1ykp s PRO 45 N -2.58 3.85 0.00 0.00 0.05 -1.26 -4.91 135.00 130.15 1ykp s PRO 45 Ca 0.34 2.31 0.00 0.00 0.05 0.00 0.00 61.00 63.70 1ykp s PRO 45 Cb -0.13 -2.73 0.00 0.00 0.05 0.00 0.00 34.50 31.69 1ykp s PRO 45 CO 0.27 -0.64 0.00 0.41 0.05 0.00 0.00 177.00 177.08 1ykp n GLY 46 N 0.61 -0.47 3.56 0.56 0.00 -1.26 -4.43 105.19 103.77 1ykp n GLY 46 Ca 0.04 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.48 3.23 0.07 1.61 2.12 -1.26 -4.93 118.70 119.06 1ykp s GLU 47 Ca 0.00 0.09 -0.31 0.00 0.36 0.00 0.00 54.97 55.11 1ykp s GLU 47 Cb 0.00 -4.15 -0.08 0.00 0.26 0.00 0.00 34.13 30.16 1ykp s GLU 47 CO 0.00 -2.07 1.57 -1.01 -0.54 0.00 0.00 175.26 173.21 1ykp s HIS 48 N 5.97 2.65 0.12 5.30 3.76 -1.26 -2.20 115.29 129.63 1ykp s HIS 48 Ca 0.43 0.51 0.04 0.00 -0.15 0.00 0.00 55.06 55.89 1ykp s HIS 48 Cb -0.09 -3.87 -0.04 0.00 1.11 0.00 0.00 32.58 29.69 1ykp s HIS 48 CO 0.20 -3.40 -0.10 0.96 -0.85 0.00 0.00 174.74 171.55 1ykp s ILE 49 N 2.29 1.03 -0.13 0.60 -4.36 -0.53 -4.63 121.20 115.47 1ykp s ILE 49 Ca 0.71 -1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 59.24 1ykp s ILE 49 Cb -0.38 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 1ykp s ILE 49 CO 0.31 -0.66 -0.11 -0.22 0.24 0.00 0.00 174.94 174.49 1ykp s LEU 50 N -2.81 2.81 -0.03 0.37 2.96 -0.64 -0.95 118.68 120.39 1ykp s LEU 50 Ca 0.11 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1ykp s LEU 50 Cb 0.00 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1ykp s LEU 50 CO -0.00 0.17 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.24 1ykp s LEU 51 N 0.31 2.39 0.05 -0.68 1.43 0.40 -1.77 118.68 120.81 1ykp s LEU 51 Ca -0.09 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1ykp s LEU 51 Cb -0.15 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1ykp s LEU 51 CO 0.05 0.33 0.22 -1.48 0.23 0.00 0.00 176.35 175.70 1ykp s LEU 52 N -0.71 1.25 -0.05 1.79 -0.00 -0.16 -0.41 118.68 120.39 1ykp s LEU 52 Ca 0.11 -0.38 -0.32 0.00 -0.00 0.00 0.00 54.13 53.54 1ykp s LEU 52 Cb -0.10 1.08 0.13 0.00 -0.00 0.00 0.00 46.19 47.30 1ykp s LEU 52 CO -0.00 -0.61 1.35 -0.83 -0.00 0.00 0.00 176.35 176.27 1ykp s GLY 53 N -2.24 -0.45 0.32 -3.48 0.00 -0.96 -0.15 107.32 100.36 1ykp s GLY 53 Ca -0.03 0.83 0.09 0.00 0.00 0.00 0.00 44.72 45.61 1ykp s GLY 53 CO -0.05 0.15 0.09 1.20 0.00 0.00 0.00 173.10 174.50 1ykp s GLN 54 N -2.25 2.34 -0.15 2.90 -0.21 -1.25 -1.47 119.66 119.58 1ykp s GLN 54 Ca 0.14 -1.52 0.01 0.00 0.02 0.00 0.00 55.36 54.01 1ykp s GLN 54 Cb 0.06 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.92 1ykp s GLN 54 CO -0.05 0.18 -0.18 0.08 -2.12 0.00 0.00 175.29 173.20 1ykp s VAL 55 N -2.40 2.39 0.13 1.09 1.01 -1.26 -0.39 120.40 120.96 1ykp s VAL 55 Ca 0.36 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1ykp s VAL 55 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1ykp s VAL 55 CO 0.22 0.53 -0.15 -0.31 0.00 0.00 0.00 175.10 175.39 1ykp s TYR 56 N 0.82 2.60 0.00 5.22 1.51 -0.10 -1.18 117.35 126.21 1ykp s TYR 56 Ca -0.06 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1ykp s TYR 56 Cb -0.15 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 1ykp s TYR 56 CO -0.01 0.42 0.00 -0.40 -1.11 0.00 0.00 175.55 174.45 1ykp n ASP 57 N 0.64 0.00 0.23 2.29 5.68 -0.26 -1.17 116.55 123.96 1ykp n ASP 57 Ca -0.14 -0.58 0.12 0.00 -0.50 0.00 0.00 54.79 53.68 1ykp n ASP 57 Cb 0.53 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.98 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 0.25 6.12 0.00 -1.89 -2.33 103.07 105.21 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 -0.11 0.70 0.00 0.00 0.00 176.54 177.13 1ykp n ASN 59 N -3.28 0.94 0.00 0.19 3.02 -1.26 -4.75 115.26 110.12 1ykp n ASN 59 Ca 0.01 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1ykp n ASN 59 Cb 0.42 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.24 0.42 3.87 7.41 0.00 -0.88 -5.05 105.19 112.21 1ykp n GLY 60 Ca 0.16 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 3.54 0.14 1.61 3.76 -1.26 -4.81 115.29 116.27 1ykp s HIS 61 Ca 0.00 0.75 -0.30 0.00 -0.15 0.00 0.00 55.06 55.36 1ykp s HIS 61 Cb 0.00 -2.14 -0.07 0.00 1.11 0.00 0.00 32.58 31.48 1ykp s HIS 61 CO 0.00 0.47 1.14 -0.51 -0.85 0.00 0.00 174.74 174.99 1ykp s LEU 62 N -2.18 4.45 -0.66 0.89 1.43 -1.26 -1.10 118.68 120.24 1ykp s LEU 62 Ca 0.36 2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 55.30 1ykp s LEU 62 Cb -0.13 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.55 1ykp s LEU 62 CO 0.20 -0.31 1.05 -0.69 0.23 0.00 0.00 176.35 176.83 1ykp s VAL 63 N 0.16 4.17 -2.42 -1.59 1.01 -0.32 -4.87 120.40 116.53 1ykp s VAL 63 Ca 0.52 -0.04 0.28 0.00 0.00 0.00 0.00 61.98 62.74 1ykp s VAL 63 Cb -0.30 -4.73 0.50 0.00 0.00 0.00 0.00 36.38 31.86 1ykp s VAL 63 CO 0.34 -1.51 1.70 0.54 0.00 0.00 0.00 175.10 176.17 1ykp n ARG 64 N 8.12 1.58 -0.59 2.72 1.74 -1.26 -4.22 116.66 124.75 1ykp n ARG 64 Ca -0.01 -0.94 0.04 0.00 -0.77 0.00 0.00 57.85 56.16 1ykp n ARG 64 Cb 0.47 -1.48 0.20 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.11 2.14 -4.79 0.55 5.68 -1.26 -3.71 116.55 115.27 1ykp n ASP 65 Ca 0.18 -3.72 -0.36 0.00 -0.50 0.00 0.00 54.79 50.39 1ykp n ASP 65 Cb 0.36 -0.55 -0.06 0.00 -1.14 0.00 0.00 41.12 39.74 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 -2.91 7.08 -0.08 -1.12 1.04 -1.25 -4.51 113.70 111.95 1ykp s SER 66 Ca 0.39 1.86 0.04 0.00 0.48 0.00 0.00 55.95 58.73 1ykp s SER 66 Cb 0.37 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1ykp s SER 66 CO -0.03 -0.26 -0.21 0.12 0.98 0.00 0.00 173.24 173.85 1ykp s PHE 67 N -1.75 2.19 0.03 5.02 5.36 -0.18 -2.16 117.98 126.48 1ykp s PHE 67 Ca 0.55 -0.83 0.08 0.00 -0.96 0.00 0.00 56.93 55.78 1ykp s PHE 67 Cb -0.17 -1.48 -0.03 0.00 -0.34 0.00 0.00 43.02 41.00 1ykp s PHE 67 CO 0.22 -0.33 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.90 1ykp s LEU 68 N 0.32 2.24 -0.03 6.12 1.02 0.09 -1.05 118.68 127.38 1ykp s LEU 68 Ca -0.14 -0.52 0.05 0.00 0.02 0.00 0.00 54.13 53.54 1ykp s LEU 68 Cb -0.16 -1.35 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1ykp s LEU 68 CO 0.06 0.28 -0.18 -1.61 0.02 0.00 0.00 176.35 174.92 1ykp s GLU 69 N -1.12 2.35 0.01 1.70 2.02 -0.16 -2.60 118.70 120.89 1ykp s GLU 69 Ca 0.12 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.38 1ykp s GLU 69 Cb -0.10 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 1ykp s GLU 69 CO 0.02 0.60 -0.19 0.14 0.02 0.00 0.00 175.26 175.85 1ykp s VAL 70 N -0.71 1.49 -0.06 2.63 -7.23 0.25 -0.13 120.40 116.64 1ykp s VAL 70 Ca 0.11 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1ykp s VAL 70 Cb -0.10 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.60 1ykp s VAL 70 CO 0.00 0.31 0.02 0.86 -0.31 0.00 0.00 175.10 175.98 1ykp s TRP 71 N -0.58 0.51 0.02 2.82 -0.11 0.31 -2.54 118.94 119.37 1ykp s TRP 71 Ca 0.07 -0.06 -0.09 0.00 1.22 0.00 0.00 56.10 57.24 1ykp s TRP 71 Cb -0.08 -0.72 0.00 0.00 -1.50 0.00 0.00 33.47 31.18 1ykp s TRP 71 CO 0.00 -0.29 0.18 1.14 -4.62 0.00 0.00 176.95 173.36 1ykp s GLN 72 N 2.02 0.61 0.68 5.86 -2.07 0.20 -0.33 119.66 126.63 1ykp s GLN 72 Ca 0.05 -0.53 -0.14 0.00 -1.82 0.00 0.00 55.36 52.92 1ykp s GLN 72 Cb -0.12 0.25 0.01 0.00 -1.09 0.00 0.00 33.01 32.06 1ykp s GLN 72 CO -0.05 -0.16 1.10 0.00 -1.32 0.00 0.00 175.29 174.86 1ykp s ALA 73 N -2.06 2.46 1.06 2.60 0.00 -1.26 -4.51 121.76 120.04 1ykp s ALA 73 Ca -0.09 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 1ykp s ALA 73 Cb -0.04 -3.30 0.17 0.00 0.00 0.00 0.00 23.12 19.95 1ykp s ALA 73 CO -0.01 -1.33 0.82 -0.40 0.00 0.00 0.00 175.76 174.84 1ykp n ASP 74 N -2.64 -0.55 0.33 0.00 5.68 0.41 -4.34 116.55 115.44 1ykp n ASP 74 Ca 0.10 -1.19 0.21 0.00 -0.50 0.00 0.00 54.79 53.41 1ykp n ASP 74 Cb 0.52 -0.67 1.12 0.00 -1.14 0.00 0.00 41.12 40.96 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 -2.08 1.07 -0.61 2.12 0.00 -1.78 0.27 119.26 118.26 1ykp h ALA 75 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ykp h ALA 75 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ykp h ALA 75 CO 0.19 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.54 1ykp n ASN 76 N -3.19 3.75 -0.12 0.00 3.02 -1.26 -3.66 115.26 113.81 1ykp n ASN 76 Ca -0.03 -2.16 -0.01 0.00 -0.03 0.00 0.00 54.58 52.35 1ykp n ASN 76 Cb 0.10 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 1.32 0.36 3.60 7.41 0.00 -0.16 -4.85 105.19 112.87 1ykp n GLY 77 Ca 0.22 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.50 2.77 -0.48 1.61 2.02 -1.25 -4.78 118.70 115.08 1ykp s GLU 78 Ca 0.00 -0.53 -0.26 0.00 0.02 0.00 0.00 54.97 54.20 1ykp s GLU 78 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.64 1ykp s GLU 78 CO 0.00 0.67 0.96 0.71 0.02 0.00 0.00 175.26 177.62 1ykp s TYR 79 N -0.83 2.87 -0.75 1.61 1.51 -1.26 0.16 117.35 120.66 1ykp s TYR 79 Ca 0.13 0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 56.27 1ykp s TYR 79 Cb -0.11 -4.06 0.04 0.00 -0.11 0.00 0.00 41.96 37.71 1ykp s TYR 79 CO 0.02 -1.19 1.26 -0.65 -1.11 0.00 0.00 175.55 173.88 1ykp s GLN 80 N 3.92 3.21 0.13 -0.62 -1.52 -1.26 -4.87 119.66 118.65 1ykp s GLN 80 Ca 0.37 -0.36 0.08 0.00 -1.95 0.00 0.00 55.36 53.50 1ykp s GLN 80 Cb -0.10 -4.26 -0.19 0.00 -0.22 0.00 0.00 33.01 28.24 1ykp s GLN 80 CO 0.26 -2.12 1.29 0.38 -0.25 0.00 0.00 175.29 174.85 1ykp h ASP 81 N 9.96 0.00 -1.41 5.90 2.03 -1.95 -3.17 116.42 127.79 1ykp h ASP 81 Ca -0.25 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.60 1ykp h ASP 81 Cb 1.05 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.49 1ykp h ASP 81 CO 1.28 0.96 1.11 0.00 -1.03 0.00 0.00 179.24 181.56 1ykp s ALA 82 N -2.73 2.18 0.39 4.15 0.00 -1.26 -4.97 121.76 119.51 1ykp s ALA 82 Ca 0.01 -1.39 -0.26 0.00 0.00 0.00 0.00 51.96 50.32 1ykp s ALA 82 Cb 0.10 -4.43 -0.09 0.00 0.00 0.00 0.00 23.12 18.70 1ykp s ALA 82 CO 0.81 -4.09 1.25 -0.47 0.00 0.00 0.00 175.76 173.27 1ykp s TYR 83 N 8.14 2.96 -0.28 0.00 5.04 -1.26 -5.00 117.35 126.94 1ykp s TYR 83 Ca 0.59 1.47 -0.20 0.00 -2.44 0.00 0.00 57.07 56.49 1ykp s TYR 83 Cb -0.07 -3.56 0.12 0.00 0.35 0.00 0.00 41.96 38.79 1ykp s TYR 83 CO 0.06 -1.74 0.92 1.21 -1.34 0.00 0.00 175.55 174.66 1ykp s ASN 84 N -0.85 -0.59 0.36 4.32 3.84 -1.26 -5.02 114.94 115.74 1ykp s ASN 84 Ca 0.56 1.02 0.27 0.00 0.21 0.00 0.00 52.86 54.91 1ykp s ASN 84 Cb -0.36 1.15 1.11 0.00 -0.55 0.00 0.00 41.25 42.61 1ykp s ASN 84 CO 0.46 -0.17 1.81 -0.07 -2.79 0.00 0.00 177.10 176.33 1ykp h LEU 85 N 5.46 0.00 0.00 3.21 3.38 -1.97 -2.92 115.31 122.47 1ykp h LEU 85 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ykp h LEU 85 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1ykp h LEU 85 CO 0.14 0.00 -1.17 -0.62 0.09 0.00 0.00 178.44 176.89 1ykp n GLU 86 N -2.53 0.58 -0.86 1.13 1.02 -1.26 -4.97 120.64 113.75 1ykp n GLU 86 Ca 0.02 0.06 -0.34 0.00 -0.02 0.00 0.00 57.16 56.87 1ykp n GLU 86 Cb 0.26 -1.75 0.09 0.00 -0.02 0.00 0.00 31.44 30.02 1ykp n GLU 86 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ykp n ASN 87 N -2.53 -3.44 -0.07 1.62 3.02 -1.11 -4.95 115.26 107.80 1ykp n ASN 87 Ca -0.00 0.27 -0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1ykp n ASN 87 Cb 0.54 -1.04 -0.06 0.00 -0.61 0.00 0.00 39.78 38.61 1ykp n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ykp h ALA 88 N -1.38 0.28 -3.87 5.41 0.00 -1.92 -3.44 119.26 114.34 1ykp h ALA 88 Ca -0.44 -0.32 -0.42 0.00 0.00 0.00 0.00 54.91 53.73 1ykp h ALA 88 Cb 1.29 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 1ykp h ALA 88 CO 0.30 0.17 -0.79 0.12 0.00 0.00 0.00 179.25 179.05 1ykp s PHE 89 N -4.43 0.92 -0.01 0.00 5.36 -1.26 0.12 117.98 118.68 1ykp s PHE 89 Ca -0.14 -0.22 0.07 0.00 -0.96 0.00 0.00 56.93 55.69 1ykp s PHE 89 Cb 0.06 -0.65 -0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1ykp s PHE 89 CO 0.77 -0.08 -0.23 -0.80 -1.46 0.00 0.00 175.22 173.42 1ykp s ASN 90 N 0.10 2.71 0.00 6.13 0.01 0.29 -4.89 114.94 119.29 1ykp s ASN 90 Ca -0.02 -0.43 0.29 0.00 -0.71 0.00 0.00 52.86 52.00 1ykp s ASN 90 Cb -0.07 -0.30 1.27 0.00 0.41 0.00 0.00 41.25 42.56 1ykp s ASN 90 CO 0.00 0.28 1.93 -1.20 -1.51 0.00 0.00 177.10 176.60 1ykp n SER 91 N 2.46 0.06 -4.40 -1.22 7.64 -1.20 -4.75 113.62 112.22 1ykp n SER 91 Ca -0.16 0.20 -0.27 0.00 1.01 0.00 0.00 58.87 59.66 1ykp n SER 91 Cb 0.52 -0.36 -0.12 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.84 2.24 -0.04 1.43 5.36 -1.26 0.58 117.98 123.44 1ykp s PHE 92 Ca 0.19 -0.38 -0.30 0.00 -0.96 0.00 0.00 56.93 55.48 1ykp s PHE 92 Cb 0.19 -1.14 0.12 0.00 -0.34 0.00 0.00 43.02 41.85 1ykp s PHE 92 CO 0.52 0.43 1.33 0.20 -1.46 0.00 0.00 175.22 176.24 1ykp s GLY 93 N -2.48 -0.35 0.09 13.12 0.00 -1.05 -4.89 107.32 111.76 1ykp s GLY 93 Ca 0.18 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.48 1ykp s GLY 93 CO 0.08 1.97 -0.09 0.50 0.00 0.00 0.00 173.10 175.57 1ykp s ARG 94 N -2.20 0.81 0.34 2.90 1.81 -0.65 -0.58 118.95 121.38 1ykp s ARG 94 Ca 0.19 -1.17 -0.09 0.00 -1.72 0.00 0.00 55.73 52.94 1ykp s ARG 94 Cb 0.04 -0.40 0.02 0.00 -0.45 0.00 0.00 34.95 34.16 1ykp s ARG 94 CO -0.04 0.04 0.60 -0.08 -0.68 0.00 0.00 175.30 175.15 1ykp s THR 95 N -2.71 0.00 0.14 0.02 -1.32 -1.07 -2.87 115.64 107.82 1ykp s THR 95 Ca 0.06 -1.33 -0.20 0.00 -1.21 0.00 0.00 61.69 59.01 1ykp s THR 95 Cb -0.01 -2.63 0.05 0.00 -1.51 0.00 0.00 72.50 68.40 1ykp s THR 95 CO -0.01 0.00 0.50 0.00 -2.21 0.00 0.00 174.62 172.89 1ykp s ALA 96 N -2.97 -1.26 -0.16 11.08 0.00 -1.26 -0.74 121.76 126.47 1ykp s ALA 96 Ca 0.23 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1ykp s ALA 96 Cb -0.02 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1ykp s ALA 96 CO 0.15 -0.69 0.11 0.95 0.00 0.00 0.00 175.76 176.28 1ykp s THR 97 N -3.70 5.22 0.47 0.00 -4.23 -0.92 -4.25 115.64 108.23 1ykp s THR 97 Ca 0.02 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.68 1ykp s THR 97 Cb 0.00 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1ykp s THR 97 CO -0.12 0.53 0.05 0.42 -0.54 0.00 0.00 174.62 174.96 1ykp s THR 98 N -0.28 1.61 0.28 3.99 -4.23 1.43 -3.79 115.64 114.66 1ykp s THR 98 Ca 0.10 -1.94 0.28 0.00 -1.18 0.00 0.00 61.69 58.95 1ykp s THR 98 Cb -0.12 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.47 1ykp s THR 98 CO 0.01 0.00 1.99 -0.26 -0.54 0.00 0.00 174.62 175.82 1ykp h PHE 99 N 1.47 0.00 0.03 3.99 0.04 -1.96 -2.14 116.94 118.37 1ykp h PHE 99 Ca -0.43 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.12 1ykp h PHE 99 Cb 1.28 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.41 1ykp h PHE 99 CO 1.12 0.14 -1.19 -0.44 -0.60 0.00 0.00 178.31 177.33 1ykp h ASP 100 N 0.00 0.10 -3.13 2.17 3.32 -1.97 -3.40 116.42 113.51 1ykp h ASP 100 Ca -0.00 -0.66 -0.80 0.00 0.02 0.00 0.00 57.03 55.58 1ykp h ASP 100 Cb 0.49 -0.03 -0.28 0.00 0.22 0.00 0.00 39.33 39.73 1ykp h ASP 100 CO 0.02 1.48 0.64 0.00 -1.72 0.00 0.00 179.24 179.66 1ykp n ALA 101 N -3.21 4.84 0.34 3.45 0.00 -0.93 -4.90 120.51 120.09 1ykp n ALA 101 Ca -0.28 -4.76 0.17 0.00 0.00 0.00 0.00 53.44 48.57 1ykp n ALA 101 Cb 0.72 -2.36 0.90 0.00 0.00 0.00 0.00 19.45 18.71 1ykp n ALA 101 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ykp h GLY 102 N 5.82 0.00 -3.70 0.00 0.00 -1.63 4.35 103.07 107.91 1ykp h GLY 102 Ca 0.19 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.88 1ykp h GLY 102 CO 1.22 0.00 -0.76 1.85 0.00 0.00 0.00 176.54 178.85 1ykp s GLU 103 N -4.10 1.94 0.28 4.80 2.12 -1.26 -4.65 118.70 117.83 1ykp s GLU 103 Ca -0.04 -1.24 0.08 0.00 0.36 0.00 0.00 54.97 54.13 1ykp s GLU 103 Cb 0.09 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 1ykp s GLU 103 CO 0.30 0.45 0.17 1.67 -0.54 0.00 0.00 175.26 177.32 1ykp s TRP 104 N -1.49 2.96 0.03 5.30 1.48 -0.54 -4.60 118.94 122.08 1ykp s TRP 104 Ca 0.22 -0.19 0.02 0.00 -1.06 0.00 0.00 56.10 55.09 1ykp s TRP 104 Cb -0.09 -1.46 -0.02 0.00 -1.16 0.00 0.00 33.47 30.73 1ykp s TRP 104 CO 0.13 0.46 -0.06 0.95 -4.06 0.00 0.00 176.95 174.37 1ykp s THR 105 N -2.23 0.40 -0.02 0.66 -4.23 -1.26 -2.27 115.64 106.70 1ykp s THR 105 Ca 0.35 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.96 1ykp s THR 105 Cb -0.07 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1ykp s THR 105 CO 0.24 -0.32 0.07 -0.22 -0.54 0.00 0.00 174.62 173.85 1ykp s LEU 106 N -1.27 1.77 -0.22 4.79 2.96 0.46 -4.87 118.68 122.30 1ykp s LEU 106 Ca -0.09 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 1ykp s LEU 106 Cb -0.08 0.26 0.03 0.00 0.50 0.00 0.00 46.19 46.90 1ykp s LEU 106 CO -0.00 -0.08 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.81 1ykp s HIS 107 N -0.25 2.97 0.00 5.38 3.76 -0.15 -0.46 115.29 126.54 1ykp s HIS 107 Ca -0.03 -1.71 0.00 0.00 -0.15 0.00 0.00 55.06 53.17 1ykp s HIS 107 Cb -0.02 -1.97 0.00 0.00 1.11 0.00 0.00 32.58 31.69 1ykp s HIS 107 CO 0.00 -0.78 0.00 -2.37 -0.85 0.00 0.00 174.74 170.74 1ykp n THR 108 N 4.61 0.00 -4.34 1.30 5.66 -0.12 -0.76 114.28 120.63 1ykp n THR 108 Ca -0.18 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.59 1ykp n THR 108 Cb 0.48 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.21 3.17 0.09 1.08 -7.23 -1.26 -1.45 120.40 112.58 1ykp s VAL 109 Ca 0.00 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 1ykp s VAL 109 Cb 0.00 -2.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1ykp s VAL 109 CO 0.00 -0.38 1.32 -0.75 -0.31 0.00 0.00 175.10 174.98 1ykp s LYS 110 N -3.63 4.36 0.41 4.82 2.20 -0.94 -4.85 119.74 122.11 1ykp s LYS 110 Ca 0.31 1.95 -0.25 0.00 -0.36 0.00 0.00 55.97 57.62 1ykp s LYS 110 Cb -0.06 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.88 1ykp s LYS 110 CO 0.19 -0.38 1.21 -1.25 -0.36 0.00 0.00 175.35 174.76 1ykp s PRO 111 N 1.15 3.96 1.01 4.03 0.04 -1.26 -4.16 135.00 139.78 1ykp s PRO 111 Ca 0.62 1.93 -0.16 0.00 0.04 0.00 0.00 61.00 63.43 1ykp s PRO 111 Cb -0.34 -2.65 0.21 0.00 0.04 0.00 0.00 34.50 31.76 1ykp s PRO 111 CO 0.30 -0.43 1.23 0.20 0.04 0.00 0.00 177.00 178.34 1ykp s GLY 112 N -1.05 1.69 0.23 0.56 0.00 0.78 -4.74 107.32 104.80 1ykp s GLY 112 Ca 0.58 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 44.05 1ykp s GLY 112 CO 0.41 -0.25 0.84 0.14 0.00 0.00 0.00 173.10 174.24 1ykp s VAL 113 N -3.54 4.32 0.06 1.40 1.01 -1.26 -4.50 120.40 117.89 1ykp s VAL 113 Ca 0.71 1.71 0.05 0.00 0.00 0.00 0.00 61.98 64.44 1ykp s VAL 113 Cb -0.07 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1ykp s VAL 113 CO 0.54 0.34 -0.14 0.68 0.00 0.00 0.00 175.10 176.52 1ykp s VAL 114 N -1.37 1.08 0.15 2.92 -7.23 -1.26 -4.44 120.40 110.26 1ykp s VAL 114 Ca 0.42 -1.21 -0.23 0.00 -1.81 0.00 0.00 61.98 59.15 1ykp s VAL 114 Cb -0.21 -1.03 -0.08 0.00 0.56 0.00 0.00 36.38 35.63 1ykp s VAL 114 CO 0.25 -0.17 0.72 0.20 -0.31 0.00 0.00 175.10 175.78 1ykp s ASN 115 N -1.57 7.26 1.09 4.85 -0.87 -1.26 -0.50 114.94 123.93 1ykp s ASN 115 Ca -0.01 1.51 -0.11 0.00 -1.57 0.00 0.00 52.86 52.68 1ykp s ASN 115 Cb -0.09 -2.45 0.16 0.00 -0.02 0.00 0.00 41.25 38.84 1ykp s ASN 115 CO 0.02 0.20 0.70 -0.46 -2.57 0.00 0.00 177.10 174.99 1ykp n ASN 116 N 1.48 -0.94 -0.27 -1.22 6.94 0.12 -4.86 115.26 116.51 1ykp n ASN 116 Ca -0.06 -1.05 -0.05 0.00 -0.02 0.00 0.00 54.58 53.39 1ykp n ASN 116 Cb 0.50 -0.59 0.06 0.00 -2.36 0.00 0.00 39.78 37.38 1ykp n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ykp h ALA 117 N -2.21 0.94 0.00 -2.53 0.00 -1.98 -1.94 119.26 111.55 1ykp h ALA 117 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ykp h ALA 117 Cb 0.72 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ykp h ALA 117 CO 0.17 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1ykp n ALA 118 N -2.34 1.54 0.00 0.00 0.00 -1.26 -4.90 120.51 113.55 1ykp n ALA 118 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ykp n ALA 118 Cb 0.07 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.33 0.37 3.68 0.00 0.00 -0.73 -5.10 105.19 103.09 1ykp n GLY 119 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 4.87 0.38 1.61 1.01 -1.26 -4.74 120.40 120.26 1ykp s VAL 120 Ca 0.00 1.77 -0.26 0.00 0.00 0.00 0.00 61.98 63.48 1ykp s VAL 120 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1ykp s VAL 120 CO 0.00 0.05 1.24 -2.16 0.00 0.00 0.00 175.10 174.22 1ykp s PRO 121 N 1.91 4.13 0.22 2.72 0.04 -1.26 0.14 135.00 142.89 1ykp s PRO 121 Ca 0.42 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.52 1ykp s PRO 121 Cb -0.17 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 1ykp s PRO 121 CO 0.15 -0.31 0.33 -1.64 0.04 0.00 0.00 177.00 175.57 1ykp s MET 122 N -2.11 3.40 0.62 4.56 -1.94 0.34 -4.50 119.30 119.68 1ykp s MET 122 Ca 0.54 -0.74 -0.15 0.00 -1.71 0.00 0.00 55.69 53.63 1ykp s MET 122 Cb -0.35 -2.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.58 1ykp s MET 122 CO 0.45 0.45 1.07 0.00 -0.01 0.00 0.00 175.02 176.98 1ykp s ALA 123 N -1.93 2.66 -0.07 3.03 0.00 -1.26 -3.98 121.76 120.22 1ykp s ALA 123 Ca 0.34 0.40 -0.36 0.00 0.00 0.00 0.00 51.96 52.34 1ykp s ALA 123 Cb -0.09 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 1ykp s ALA 123 CO 0.29 -0.97 1.75 -2.30 0.00 0.00 0.00 175.76 174.53 1ykp n PRO 124 N -2.24 1.89 -3.96 0.00 -0.02 -1.26 -4.89 135.00 124.51 1ykp n PRO 124 Ca 0.09 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.18 1ykp n PRO 124 Cb 0.53 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.09 0.32 -0.01 6.00 -3.43 -1.26 -4.10 115.29 115.91 1ykp s HIS 125 Ca 0.91 -0.80 0.06 0.00 -0.80 0.00 0.00 55.06 54.43 1ykp s HIS 125 Cb -0.79 -0.20 -0.03 0.00 -1.43 0.00 0.00 32.58 30.14 1ykp s HIS 125 CO 0.51 -0.48 -0.18 0.42 -2.00 0.00 0.00 174.74 173.01 1ykp s ILE 126 N -3.89 2.73 -0.26 -5.38 1.01 -0.55 -4.62 121.20 110.24 1ykp s ILE 126 Ca 0.07 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 1ykp s ILE 126 Cb 0.06 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1ykp s ILE 126 CO -0.10 0.49 0.44 0.20 0.00 0.00 0.00 174.94 175.97 1ykp s ASN 127 N -0.98 6.37 -0.10 3.58 0.01 0.55 0.17 114.94 124.54 1ykp s ASN 127 Ca 0.12 0.43 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 1ykp s ASN 127 Cb -0.10 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 1ykp s ASN 127 CO 0.02 -0.22 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.67 1ykp s ILE 128 N 2.08 3.45 -0.20 0.60 1.01 0.21 -0.53 121.20 127.83 1ykp s ILE 128 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1ykp s ILE 128 Cb -0.16 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.90 1ykp s ILE 128 CO 0.09 0.56 -0.15 -0.44 0.00 0.00 0.00 174.94 175.00 1ykp s SER 129 N -0.25 3.56 -0.19 3.58 0.01 0.81 -1.05 113.70 120.17 1ykp s SER 129 Ca 0.03 -0.68 -0.08 0.00 1.31 0.00 0.00 55.95 56.52 1ykp s SER 129 Cb -0.13 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1ykp s SER 129 CO 0.03 -0.03 0.08 -0.22 0.41 0.00 0.00 173.24 173.50 1ykp s LEU 130 N 1.31 3.88 0.21 2.44 2.96 0.34 -0.99 118.68 128.84 1ykp s LEU 130 Ca 0.04 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1ykp s LEU 130 Cb -0.14 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1ykp s LEU 130 CO -0.10 0.17 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.58 1ykp s PHE 131 N 0.39 1.83 0.00 5.38 0.40 -0.22 -2.08 117.98 123.68 1ykp s PHE 131 Ca 0.04 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1ykp s PHE 131 Cb -0.12 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.57 1ykp s PHE 131 CO -0.00 0.42 0.00 0.00 0.70 0.00 0.00 175.22 176.34 1ykp n ALA 132 N -0.36 0.00 -1.70 5.36 0.00 -1.26 -1.01 120.51 121.54 1ykp n ALA 132 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 1ykp n ALA 132 Cb 0.60 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.09 1ykp n ALA 132 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ykp n ARG 133 N -0.50 1.49 -0.39 0.00 1.85 -1.22 -1.42 116.66 116.48 1ykp n ARG 133 Ca 0.00 0.55 0.00 0.00 -1.00 0.00 0.00 57.85 57.40 1ykp n ARG 133 Cb 0.00 -2.40 0.00 0.00 -1.05 0.00 0.00 32.46 29.01 1ykp n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ykp n GLY 134 N 0.93 2.17 3.41 2.89 0.00 -1.26 -4.96 105.19 108.37 1ykp n GLY 134 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.37 4.93 0.04 -0.61 1.01 -0.51 -5.02 121.20 117.67 1ykp s ILE 135 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1ykp s ILE 135 Cb 0.00 -3.78 -0.16 0.00 0.01 0.00 0.00 42.46 38.52 1ykp s ILE 135 CO 0.00 -0.32 1.26 0.78 0.00 0.00 0.00 174.94 176.66 1ykp h ASN 136 N 8.55 0.51 -3.96 3.58 2.35 -1.91 -3.35 115.58 121.36 1ykp h ASN 136 Ca -0.26 -0.59 -0.68 0.00 -0.55 0.00 0.00 56.30 54.22 1ykp h ASN 136 Cb 1.11 -0.15 -0.32 0.00 0.05 0.00 0.00 38.32 39.02 1ykp h ASN 136 CO 0.72 1.01 -0.88 -0.51 -1.65 0.00 0.00 177.43 176.12 1ykp s ILE 137 N -3.89 2.00 0.78 2.81 2.07 -1.26 -2.68 121.20 121.04 1ykp s ILE 137 Ca -0.13 -1.04 -0.14 0.00 -1.41 0.00 0.00 60.65 57.93 1ykp s ILE 137 Cb 0.05 -1.70 0.05 0.00 0.13 0.00 0.00 42.46 40.99 1ykp s ILE 137 CO 0.79 0.56 1.05 0.00 -1.91 0.00 0.00 174.94 175.43 1ykp n HIS 138 N 3.00 0.84 -3.55 3.50 1.44 -1.26 -5.00 115.22 114.19 1ykp n HIS 138 Ca -0.18 0.39 -0.38 0.00 -2.01 0.00 0.00 57.72 55.55 1ykp n HIS 138 Cb 0.52 -2.08 -0.06 0.00 0.12 0.00 0.00 29.99 28.49 1ykp n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ykp s LEU 139 N -4.28 4.43 -0.13 2.39 1.43 -0.89 -4.90 118.68 116.74 1ykp s LEU 139 Ca 0.72 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1ykp s LEU 139 Cb -0.31 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 1ykp s LEU 139 CO 0.52 0.30 -0.14 -1.00 0.23 0.00 0.00 176.35 176.25 1ykp s HIS 140 N -0.84 2.78 0.29 0.29 3.76 -1.26 0.13 115.29 120.43 1ykp s HIS 140 Ca 0.22 -0.73 -0.13 0.00 -0.15 0.00 0.00 55.06 54.27 1ykp s HIS 140 Cb -0.16 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.71 1ykp s HIS 140 CO 0.11 -0.26 0.55 -0.08 -0.85 0.00 0.00 174.74 174.21 1ykp s THR 141 N 0.41 0.00 -0.01 1.30 -1.32 -0.21 0.12 115.64 115.92 1ykp s THR 141 Ca -0.11 -1.33 0.07 0.00 -1.21 0.00 0.00 61.69 59.11 1ykp s THR 141 Cb -0.16 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.47 1ykp s THR 141 CO 0.05 0.00 -0.23 -0.13 -2.21 0.00 0.00 174.62 172.10 1ykp s ARG 142 N -3.61 1.86 -0.26 7.08 0.52 -1.26 -0.62 118.95 122.66 1ykp s ARG 142 Ca 0.21 -0.86 -0.10 0.00 -0.52 0.00 0.00 55.73 54.46 1ykp s ARG 142 Cb -0.02 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 1ykp s ARG 142 CO 0.11 0.50 0.16 -1.17 0.02 0.00 0.00 175.30 174.91 1ykp s LEU 143 N -0.64 3.93 0.40 2.53 0.20 0.13 -4.77 118.68 120.46 1ykp s LEU 143 Ca 0.09 -0.01 0.08 0.00 0.69 0.00 0.00 54.13 54.98 1ykp s LEU 143 Cb -0.09 -2.07 -0.06 0.00 -0.43 0.00 0.00 46.19 43.53 1ykp s LEU 143 CO -0.01 -0.01 0.10 -0.31 -0.29 0.00 0.00 176.35 175.84 1ykp s TYR 144 N 1.48 2.57 -0.09 5.38 1.51 0.55 -1.49 117.35 127.26 1ykp s TYR 144 Ca 0.07 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 1ykp s TYR 144 Cb -0.15 -1.82 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 1ykp s TYR 144 CO 0.08 0.31 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.60 1ykp s PHE 145 N -2.61 2.69 -0.60 2.71 0.40 -1.26 0.27 117.98 119.58 1ykp s PHE 145 Ca 0.38 -0.58 0.14 0.00 -0.60 0.00 0.00 56.93 56.27 1ykp s PHE 145 Cb 0.05 -1.73 0.69 0.00 0.51 0.00 0.00 43.02 42.54 1ykp s PHE 145 CO 0.21 -0.14 1.43 -0.40 0.70 0.00 0.00 175.22 177.02 1ykp n ASP 146 N 3.12 0.33 -0.87 1.36 5.75 -0.53 -2.59 116.55 123.12 1ykp n ASP 146 Ca -0.18 0.63 0.11 0.00 -0.01 0.00 0.00 54.79 55.34 1ykp n ASP 146 Cb 0.52 -0.68 0.28 0.00 -1.03 0.00 0.00 41.12 40.21 1ykp n ASP 146 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ykp n ASP 147 N -1.92 2.62 -0.99 -1.12 5.75 -1.26 -3.54 116.55 116.09 1ykp n ASP 147 Ca 0.00 -1.87 -0.01 0.00 -0.01 0.00 0.00 54.79 52.91 1ykp n ASP 147 Cb 0.07 -0.18 0.20 0.00 -1.03 0.00 0.00 41.12 40.19 1ykp n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ykp n GLU 148 N 0.95 1.87 -0.27 0.11 -0.58 -1.07 -4.85 120.64 116.80 1ykp n GLU 148 Ca 0.18 -3.15 0.23 0.00 -0.42 0.00 0.00 57.16 54.00 1ykp n GLU 148 Cb 0.48 -1.77 0.42 0.00 -0.57 0.00 0.00 31.44 30.00 1ykp n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ykp n ALA 149 N -1.08 0.74 0.12 0.62 0.00 -1.23 0.47 120.51 120.15 1ykp n ALA 149 Ca 0.29 0.85 -0.13 0.00 0.00 0.00 0.00 53.44 54.45 1ykp n ALA 149 Cb 0.95 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 19.52 1ykp n ALA 149 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ykp h GLN 150 N 0.00 -0.31 -0.78 0.00 4.20 -1.93 -2.33 115.11 113.96 1ykp h GLN 150 Ca 0.65 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.35 1ykp h GLN 150 Cb 1.64 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.45 1ykp h GLN 150 CO -0.67 0.01 0.37 0.00 -0.67 0.00 0.00 178.83 177.87 1ykp h ALA 151 N -0.01 1.01 0.00 3.87 0.00 -1.70 -2.99 119.26 119.45 1ykp h ALA 151 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ykp h ALA 151 Cb 0.46 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ykp h ALA 151 CO 0.05 0.58 -0.07 -0.91 0.00 0.00 0.00 179.25 178.91 1ykp h ASN 152 N 1.11 0.00 1.80 0.00 2.35 0.00 -0.13 115.58 120.71 1ykp h ASN 152 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1ykp h ASN 152 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ykp h ASN 152 CO -0.03 0.07 -0.12 0.00 -1.65 0.00 0.00 177.43 175.70 1ykp h ALA 153 N 1.93 0.94 0.00 -0.83 0.00 -1.26 -3.15 119.26 116.89 1ykp h ALA 153 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ykp h ALA 153 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ykp h ALA 153 CO 0.01 0.00 -1.38 1.63 0.00 0.00 0.00 179.25 179.51 1ykp n LYS 154 N -2.91 0.50 -1.65 0.00 4.76 -0.12 -4.92 118.16 113.81 1ykp n LYS 154 Ca 0.04 -0.04 -0.46 0.00 -2.87 0.00 0.00 58.31 54.98 1ykp n LYS 154 Cb 0.52 -1.63 -0.04 0.00 -1.84 0.00 0.00 35.03 32.03 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 7.31 0.14 -0.07 0.00 -0.04 -1.26 -1.26 135.00 139.82 1ykp n PRO 156 Ca 0.24 0.18 -0.06 0.00 -0.04 0.00 0.00 63.50 63.82 1ykp n PRO 156 Cb 0.34 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.26 1ykp n PRO 156 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ykp h VAL 157 N 0.00 0.39 -0.90 0.52 2.07 -1.95 -3.30 116.25 113.07 1ykp h VAL 157 Ca 0.00 -1.35 0.19 0.00 0.82 0.00 0.00 66.70 66.36 1ykp h VAL 157 Cb 0.18 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1ykp h VAL 157 CO 0.00 0.13 0.59 0.25 0.02 0.00 0.00 177.57 178.56 1ykp h LEU 158 N -1.00 0.47 -0.05 2.57 5.85 -1.89 0.67 115.31 121.92 1ykp h LEU 158 Ca -0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ykp h LEU 158 Cb 0.47 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1ykp h LEU 158 CO -0.03 0.19 -0.00 0.59 -0.34 0.00 0.00 178.44 178.85 1ykp n ASN 159 N -4.54 0.09 -0.01 1.25 3.02 -0.39 -2.59 115.26 112.09 1ykp n ASN 159 Ca 0.19 -0.84 0.14 0.00 -0.03 0.00 0.00 54.58 54.04 1ykp n ASN 159 Cb 0.65 -0.06 0.66 0.00 -0.61 0.00 0.00 39.78 40.43 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 -1.00 0.08 -4.55 3.41 4.77 0.23 -4.67 117.00 115.27 1ykp n LEU 160 Ca 0.22 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 56.09 1ykp n LEU 160 Cb 0.15 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1ykp n LEU 160 CO 0.19 0.02 0.51 -0.63 -1.33 0.00 0.00 177.39 176.14 1ykp s ILE 161 N -2.75 4.73 0.20 -0.08 1.01 -1.07 -4.96 121.20 118.28 1ykp s ILE 161 Ca 0.22 0.48 -0.11 0.00 0.00 0.00 0.00 60.65 61.24 1ykp s ILE 161 Cb 0.20 -4.24 0.14 0.00 0.01 0.00 0.00 42.46 38.56 1ykp s ILE 161 CO 0.50 -0.58 1.72 -0.33 0.00 0.00 0.00 174.94 176.25 1ykp h GLU 162 N 8.79 0.28 -5.82 2.79 5.08 -1.90 -3.40 114.58 120.40 1ykp h GLU 162 Ca -0.25 -0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.48 1ykp h GLU 162 Cb 1.09 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.16 1ykp h GLU 162 CO 0.92 0.19 0.39 -0.65 -1.00 0.00 0.00 179.01 178.85 1ykp s GLN 163 N -6.11 3.61 0.48 2.33 -1.52 -1.26 -4.93 119.66 112.25 1ykp s GLN 163 Ca -0.13 0.14 0.26 0.00 -1.95 0.00 0.00 55.36 53.68 1ykp s GLN 163 Cb 0.17 -3.87 1.31 0.00 -0.22 0.00 0.00 33.01 30.40 1ykp s GLN 163 CO 0.74 -0.98 1.85 -1.35 -0.25 0.00 0.00 175.29 175.29 1ykp h PRO 164 N 8.72 0.18 -0.06 2.91 0.11 -1.99 -1.28 132.00 140.59 1ykp h PRO 164 Ca -0.25 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 1ykp h PRO 164 Cb 1.09 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1ykp h PRO 164 CO 0.94 0.12 -0.22 1.96 -0.21 0.00 0.00 178.00 180.59 1ykp h GLN 165 N 0.18 0.10 0.00 1.05 7.50 -1.96 -2.23 115.11 119.75 1ykp h GLN 165 Ca 0.49 -0.02 -0.12 0.00 0.50 0.00 0.00 58.65 59.49 1ykp h GLN 165 Cb 1.59 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 29.09 1ykp h GLN 165 CO -0.11 0.31 -0.56 0.00 -1.50 0.00 0.00 178.83 176.98 1ykp h ARG 166 N 0.09 0.00 -0.24 1.46 3.08 -1.63 -3.02 114.38 114.12 1ykp h ARG 166 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1ykp h ARG 166 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1ykp h ARG 166 CO 0.03 0.56 -0.11 0.00 -1.07 0.00 0.00 179.97 179.38 1ykp h ARG 167 N 0.00 0.39 -0.86 0.04 3.08 -1.40 0.21 114.38 115.85 1ykp h ARG 167 Ca -0.01 -0.10 0.12 0.00 0.07 0.00 0.00 59.98 60.06 1ykp h ARG 167 Cb 1.18 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 1ykp h ARG 167 CO 0.07 0.52 0.55 0.93 -1.07 0.00 0.00 179.97 180.97 1ykp h GLU 168 N 0.37 0.73 -0.07 0.04 5.08 -1.39 -2.29 114.58 117.06 1ykp h GLU 168 Ca 0.07 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ykp h GLU 168 Cb 0.43 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ykp h GLU 168 CO 0.02 0.48 0.15 1.79 -1.00 0.00 0.00 179.01 180.46 1ykp h THR 169 N 0.75 0.21 -0.01 1.13 1.35 -1.06 -1.90 112.91 113.38 1ykp h THR 169 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 1ykp h THR 169 Cb 0.55 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1ykp h THR 169 CO -0.17 0.00 -0.03 0.18 -0.25 0.00 0.00 175.52 175.25 1ykp n LEU 170 N -3.36 1.13 -4.48 3.87 4.77 -0.86 -4.77 117.00 113.32 1ykp n LEU 170 Ca -0.01 -0.36 -0.39 0.00 -0.03 0.00 0.00 56.01 55.22 1ykp n LEU 170 Cb 0.24 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 1ykp n LEU 170 CO 0.22 0.19 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.65 1ykp s ILE 171 N -2.07 4.80 0.18 -0.08 1.01 -0.72 -0.33 121.20 123.99 1ykp s ILE 171 Ca 0.38 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1ykp s ILE 171 Cb 0.21 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.18 1ykp s ILE 171 CO 0.36 0.09 1.24 0.00 0.00 0.00 0.00 174.94 176.64 1ykp s ALA 172 N 1.65 3.47 -0.00 9.38 0.00 0.76 -4.81 121.76 132.20 1ykp s ALA 172 Ca 0.05 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 52.79 1ykp s ALA 172 Cb -0.17 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1ykp s ALA 172 CO 0.07 -0.44 0.68 0.15 0.00 0.00 0.00 175.76 176.22 1ykp s LYS 173 N -0.06 4.41 0.05 0.00 1.02 -0.60 -1.45 119.74 123.11 1ykp s LYS 173 Ca 0.55 0.88 -0.29 0.00 0.02 0.00 0.00 55.97 57.13 1ykp s LYS 173 Cb -0.34 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 1ykp s LYS 173 CO 0.36 0.27 0.92 0.50 -0.92 0.00 0.00 175.35 176.48 1ykp s ARG 174 N 0.07 4.60 0.08 1.68 3.52 -1.26 -0.04 118.95 127.60 1ykp s ARG 174 Ca 0.35 1.34 0.00 0.00 -0.13 0.00 0.00 55.73 57.29 1ykp s ARG 174 Cb -0.19 -3.41 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1ykp s ARG 174 CO 0.19 0.13 0.10 0.00 -0.81 0.00 0.00 175.30 174.91 1ykp s GLU 176 N -2.21 0.28 -0.18 0.00 2.02 -1.26 -1.84 118.70 115.51 1ykp s GLU 176 Ca 0.07 -0.49 -0.04 0.00 0.02 0.00 0.00 54.97 54.53 1ykp s GLU 176 Cb -0.00 0.01 0.06 0.00 0.10 0.00 0.00 34.13 34.30 1ykp s GLU 176 CO 0.05 -0.02 0.07 0.08 0.02 0.00 0.00 175.26 175.46 1ykp s VAL 177 N -1.11 0.10 -1.22 2.63 1.01 -0.73 -4.89 120.40 116.18 1ykp s VAL 177 Ca -0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1ykp s VAL 177 Cb -0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1ykp s VAL 177 CO -0.01 -0.27 0.75 0.47 0.00 0.00 0.00 175.10 176.04 1ykp n ASP 178 N 5.21 -3.12 0.00 3.32 8.00 -1.26 -2.55 116.55 126.15 1ykp n ASP 178 Ca -0.08 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1ykp n ASP 178 Cb 0.48 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.57 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 -1.57 0.00 3.73 0.44 0.00 -1.26 -4.92 105.19 101.61 1ykp n GLY 179 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.46 4.42 0.10 1.61 2.47 -1.06 -5.07 119.74 121.76 1ykp s LYS 180 Ca 0.00 0.87 -0.31 0.00 -1.56 0.00 0.00 55.97 54.97 1ykp s LYS 180 Cb 0.00 -3.41 -0.07 0.00 -1.46 0.00 0.00 37.83 32.89 1ykp s LYS 180 CO 0.00 0.17 1.30 0.99 0.16 0.00 0.00 175.35 177.98 1ykp s THR 181 N 0.41 3.59 0.04 3.43 2.01 -1.26 -1.77 115.64 122.10 1ykp s THR 181 Ca 0.36 1.16 0.01 0.00 0.31 0.00 0.00 61.69 63.53 1ykp s THR 181 Cb -0.18 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1ykp s THR 181 CO 0.19 0.10 -0.05 0.00 -0.69 0.00 0.00 174.62 174.16 1ykp s ALA 182 N 0.98 0.46 -0.02 7.40 0.00 -0.77 -1.63 121.76 128.19 1ykp s ALA 182 Ca 0.61 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1ykp s ALA 182 Cb -0.34 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1ykp s ALA 182 CO 0.30 -0.17 -0.09 0.71 0.00 0.00 0.00 175.76 176.51 1ykp s TYR 183 N -2.21 0.93 -0.17 0.00 1.51 -0.73 -1.65 117.35 115.03 1ykp s TYR 183 Ca -0.06 -0.21 -0.06 0.00 -1.01 0.00 0.00 57.07 55.73 1ykp s TYR 183 Cb -0.04 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1ykp s TYR 183 CO -0.03 -0.07 0.02 0.50 -1.11 0.00 0.00 175.55 174.87 1ykp s ARG 184 N 0.03 3.86 -0.26 -0.62 3.52 0.94 -0.99 118.95 125.43 1ykp s ARG 184 Ca -0.01 -0.41 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 1ykp s ARG 184 Cb -0.07 -3.10 0.08 0.00 -1.56 0.00 0.00 34.95 30.30 1ykp s ARG 184 CO 0.00 0.25 0.09 0.12 -0.81 0.00 0.00 175.30 174.95 1ykp s PHE 185 N 0.39 1.04 -0.13 5.12 5.36 0.79 -1.56 117.98 128.99 1ykp s PHE 185 Ca 0.00 -1.15 -0.09 0.00 -0.96 0.00 0.00 56.93 54.73 1ykp s PHE 185 Cb -0.13 -1.22 -0.04 0.00 -0.34 0.00 0.00 43.02 41.28 1ykp s PHE 185 CO 0.01 -0.76 0.18 -0.51 -1.46 0.00 0.00 175.22 172.69 1ykp s ASP 186 N 1.85 6.41 -0.17 6.13 1.01 -1.26 -3.75 116.67 126.89 1ykp s ASP 186 Ca 0.06 0.48 -0.03 0.00 0.71 0.00 0.00 52.55 53.77 1ykp s ASP 186 Cb -0.17 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1ykp s ASP 186 CO -0.22 0.32 -0.06 -0.63 0.21 0.00 0.00 175.17 174.80 1ykp s ILE 187 N -0.60 3.60 -0.25 0.77 1.01 0.47 -4.96 121.20 121.24 1ykp s ILE 187 Ca 0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1ykp s ILE 187 Cb -0.12 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 1ykp s ILE 187 CO 0.04 0.48 0.01 -0.13 0.00 0.00 0.00 174.94 175.34 1ykp s ARG 188 N 0.62 3.27 0.25 2.79 0.52 -1.26 -0.92 118.95 124.21 1ykp s ARG 188 Ca -0.04 -0.72 0.10 0.00 -0.52 0.00 0.00 55.73 54.55 1ykp s ARG 188 Cb -0.15 -3.16 0.26 0.00 0.52 0.00 0.00 34.95 32.42 1ykp s ARG 188 CO 0.03 -0.29 1.56 0.82 0.02 0.00 0.00 175.30 177.43 1ykp h ILE 189 N 5.79 1.48 -2.35 1.52 2.04 -1.42 0.54 117.51 125.11 1ykp h ILE 189 Ca -0.37 -2.32 -0.08 0.00 1.00 0.00 0.00 64.86 63.10 1ykp h ILE 189 Cb 1.15 2.25 -0.22 0.00 -0.74 0.00 0.00 36.82 39.25 1ykp h ILE 189 CO 0.60 0.66 -0.04 -1.58 0.00 0.00 0.00 178.15 177.78 1ykp s GLN 190 N -3.48 0.67 0.00 2.37 0.74 -1.26 -4.74 119.66 113.96 1ykp s GLN 190 Ca -0.01 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1ykp s GLN 190 Cb 0.12 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.55 1ykp s GLN 190 CO 0.77 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 1ykp n GLY 191 N 2.83 0.46 3.67 2.59 0.00 -1.26 -4.10 105.19 109.37 1ykp n GLY 191 Ca -0.14 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 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 4.26 -0.23 1.61 2.12 -1.26 -1.91 118.70 123.28 1ykp s GLU 192 Ca 0.00 1.71 0.00 0.00 0.36 0.00 0.00 54.97 57.04 1ykp s GLU 192 Cb 0.00 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1ykp s GLU 192 CO 0.00 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 1ykp n GLY 193 N 3.59 0.32 3.70 -1.50 0.00 -1.26 -4.93 105.19 105.11 1ykp n GLY 193 Ca 0.13 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1ykp n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykp s GLU 194 N -3.81 4.13 0.32 1.61 2.12 -0.80 -4.58 118.70 117.69 1ykp s GLU 194 Ca 0.00 2.61 -0.29 0.00 0.36 0.00 0.00 54.97 57.65 1ykp s GLU 194 Cb 0.00 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 1ykp s GLU 194 CO 0.00 -0.81 1.35 0.99 -0.54 0.00 0.00 175.26 176.25 1ykp s THR 195 N 2.21 2.64 0.17 -1.70 2.01 0.19 -4.96 115.64 116.20 1ykp s THR 195 Ca 0.79 0.62 -0.31 0.00 0.31 0.00 0.00 61.69 63.10 1ykp s THR 195 Cb -0.47 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 1ykp s THR 195 CO 0.35 0.14 1.52 -0.69 -0.69 0.00 0.00 174.62 175.25 1ykp s VAL 196 N -0.89 2.72 -0.07 3.82 1.01 -1.26 -4.94 120.40 120.79 1ykp s VAL 196 Ca 0.51 0.53 0.02 0.00 0.00 0.00 0.00 61.98 63.05 1ykp s VAL 196 Cb -0.41 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1ykp s VAL 196 CO 0.52 0.05 -0.11 -0.36 0.00 0.00 0.00 175.10 175.20 1ykp s PHE 197 N 0.92 2.82 0.49 5.22 0.08 -1.26 -4.71 117.98 121.54 1ykp s PHE 197 Ca 0.67 -0.13 0.05 0.00 0.12 0.00 0.00 56.93 57.64 1ykp s PHE 197 Cb -0.42 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1ykp s PHE 197 CO 0.33 0.20 0.67 -0.06 -0.10 0.00 0.00 175.22 176.27 1ykp s PHE 198 N -0.63 2.71 -0.01 0.36 0.08 0.31 -4.99 117.98 115.81 1ykp s PHE 198 Ca 0.09 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.87 1ykp s PHE 198 Cb -0.11 -2.53 0.01 0.00 -0.57 0.00 0.00 43.02 39.81 1ykp s PHE 198 CO 0.01 -0.68 0.03 0.34 -0.10 0.00 0.00 175.22 174.83 1ykp s ASP 199 N -4.41 -0.00 0.00 1.36 3.68 -1.26 -4.44 116.67 111.60 1ykp s ASP 199 Ca 0.57 0.06 0.00 0.00 2.13 0.00 0.00 52.55 55.30 1ykp s ASP 199 Cb -0.10 0.02 0.00 0.00 -1.45 0.00 0.00 42.92 41.39 1ykp s ASP 199 CO 0.36 -0.05 0.00 2.22 0.13 0.00 0.00 175.17 177.83