#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 4.71 -0.12 4.25 -1.09 -1.26 -5.05 121.20 122.64 1ykp s ILE 2 Ca 0.00 1.34 -0.10 0.00 -2.23 0.00 0.00 60.65 59.66 1ykp s ILE 2 Cb 0.00 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1ykp s ILE 2 CO 0.00 -0.32 0.21 -1.61 -1.23 0.00 0.00 174.94 171.99 1ykp s GLU 3 N 3.16 3.77 0.00 2.79 0.41 -1.26 -5.13 118.70 122.43 1ykp s GLU 3 Ca 0.36 -0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 1ykp s GLU 3 Cb -0.14 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1ykp s GLU 3 CO 0.13 0.61 0.00 1.28 -0.49 0.00 0.00 175.26 176.79 1ykp n LEU 4 N 2.43 0.00 -4.74 1.80 4.32 -1.26 -5.05 117.00 114.50 1ykp n LEU 4 Ca -0.17 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.41 1ykp n LEU 4 Cb 0.54 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.30 1ykp n LEU 4 CO 0.34 -0.34 0.83 -0.76 -1.22 0.00 0.00 177.39 176.24 1ykp s LEU 5 N 0.00 4.49 0.49 2.23 1.43 -1.26 -4.99 118.68 121.07 1ykp s LEU 5 Ca 0.00 2.20 -0.22 0.00 -1.03 0.00 0.00 54.13 55.08 1ykp s LEU 5 Cb 0.00 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 1ykp s LEU 5 CO 0.00 -0.27 1.21 -2.16 0.23 0.00 0.00 176.35 175.36 1ykp s PRO 6 N -0.60 3.56 0.53 1.29 0.04 -1.26 -5.02 135.00 133.53 1ykp s PRO 6 Ca 0.49 1.86 -0.21 0.00 0.04 0.00 0.00 61.00 63.19 1ykp s PRO 6 Cb -0.31 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 1ykp s PRO 6 CO 0.37 -0.74 1.18 -2.00 0.04 0.00 0.00 177.00 175.85 1ykp s GLU 7 N -2.81 3.38 0.21 4.56 2.12 -1.26 -4.98 118.70 119.92 1ykp s GLU 7 Ca 0.67 1.77 -0.31 0.00 0.36 0.00 0.00 54.97 57.46 1ykp s GLU 7 Cb -0.31 -2.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.84 1ykp s GLU 7 CO 0.37 -0.86 1.46 0.99 -0.54 0.00 0.00 175.26 176.68 1ykp s THR 8 N -1.62 2.74 0.25 -1.70 2.01 -1.26 -4.92 115.64 111.15 1ykp s THR 8 Ca 0.71 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 1ykp s THR 8 Cb -0.28 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 1ykp s THR 8 CO 0.33 0.07 1.37 -2.84 -0.69 0.00 0.00 174.62 172.86 1ykp s PRO 9 N 0.22 4.32 0.90 4.92 0.02 -1.26 -4.99 135.00 139.13 1ykp s PRO 9 Ca 0.63 2.21 -0.10 0.00 0.02 0.00 0.00 61.00 63.76 1ykp s PRO 9 Cb -0.42 -3.13 0.13 0.00 0.02 0.00 0.00 34.50 31.11 1ykp s PRO 9 CO 0.38 -0.32 1.14 0.45 -0.33 0.00 0.00 177.00 178.32 1ykp s SER 10 N 0.17 3.11 0.07 2.53 0.15 -1.26 -5.07 113.70 113.40 1ykp s SER 10 Ca 0.56 2.15 -0.06 0.00 0.70 0.00 0.00 55.95 59.30 1ykp s SER 10 Cb -0.40 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.34 1ykp s SER 10 CO 0.44 -2.98 0.12 -1.10 1.20 0.00 0.00 173.24 170.91 1ykp s GLN 11 N -4.68 0.75 1.10 5.44 -1.52 -1.19 -4.92 119.66 114.64 1ykp s GLN 11 Ca 0.66 -1.02 -0.15 0.00 -1.95 0.00 0.00 55.36 52.90 1ykp s GLN 11 Cb -0.22 0.29 0.16 0.00 -0.22 0.00 0.00 33.01 33.02 1ykp s GLN 11 CO 0.58 -0.21 0.49 -2.37 -0.25 0.00 0.00 175.29 173.53 1ykp n THR 12 N 0.06 0.00 0.29 -0.19 5.66 -1.21 -4.83 114.28 114.06 1ykp n THR 12 Ca -0.15 -0.31 0.12 0.00 -3.05 0.00 0.00 64.05 60.66 1ykp n THR 12 Cb 0.62 -0.77 0.05 0.00 -1.55 0.00 0.00 70.33 68.67 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 -4.48 2.75 -0.81 1.79 0.00 -1.26 -5.02 120.51 113.49 1ykp n ALA 13 Ca 0.03 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.31 1ykp n ALA 13 Cb 0.57 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 1.25 -2.76 0.27 0.00 0.00 -1.26 -4.00 105.19 98.69 1ykp n GLY 14 Ca 0.01 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.78 0.00 -0.91 1.61 0.13 -1.94 -1.39 132.00 128.71 1ykp h PRO 15 Ca -0.09 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.69 1ykp h PRO 15 Cb 0.77 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.68 1ykp h PRO 15 CO 0.04 0.08 0.45 0.66 -0.23 0.00 0.00 178.00 178.99 1ykp n TYR 16 N -3.88 2.55 0.03 1.56 4.01 -1.26 -4.51 117.16 115.66 1ykp n TYR 16 Ca -0.02 -1.46 0.16 0.00 -0.16 0.00 0.00 57.90 56.42 1ykp n TYR 16 Cb 0.17 -0.78 0.63 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.54 0.82 -0.59 -0.72 3.04 -1.38 -0.90 116.25 118.06 1ykp h VAL 17 Ca 0.44 -0.03 0.07 0.00 -1.01 0.00 0.00 66.70 66.17 1ykp h VAL 17 Cb 2.48 0.71 -0.04 0.00 -2.01 0.00 0.00 31.29 32.44 1ykp h VAL 17 CO 0.86 0.02 0.39 0.45 -1.01 0.00 0.00 177.57 178.29 1ykp h HIS 18 N 0.10 0.52 -0.31 3.17 3.86 -1.84 -0.57 115.15 120.08 1ykp h HIS 18 Ca 0.21 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1ykp h HIS 18 Cb 0.71 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.00 1ykp h HIS 18 CO -0.00 0.27 0.11 -0.84 0.86 0.00 0.00 177.93 178.33 1ykp h ILE 19 N 0.51 1.13 0.00 2.45 3.07 -1.36 0.34 117.51 123.64 1ykp h ILE 19 Ca 0.26 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.27 1ykp h ILE 19 Cb 0.38 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 37.70 1ykp h ILE 19 CO -0.08 0.15 -1.35 0.61 -1.05 0.00 0.00 178.15 176.43 1ykp n GLY 20 N -1.25 -0.92 0.00 0.16 0.00 -0.36 -4.54 105.19 98.29 1ykp n GLY 20 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.78 0.00 -3.30 0.99 4.77 -0.38 -4.84 117.00 112.46 1ykp n LEU 21 Ca 0.01 -0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.63 1ykp n LEU 21 Cb 0.41 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1ykp n LEU 21 CO 0.42 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.25 1ykp n ALA 22 N -0.91 2.82 -0.21 -1.18 0.00 0.12 -4.96 120.51 116.18 1ykp n ALA 22 Ca 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 53.44 49.80 1ykp n ALA 22 Cb 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 19.45 18.70 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 4.43 0.58 0.07 0.00 4.07 -1.75 -2.25 115.31 120.46 1ykp h LEU 23 Ca 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1ykp h LEU 23 Cb 0.85 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1ykp h LEU 23 CO 0.51 0.40 -0.03 -0.08 -1.08 0.00 0.00 178.44 178.16 1ykp h GLU 24 N 0.71 -0.08 0.00 1.13 4.81 -1.88 -1.35 114.58 117.92 1ykp h GLU 24 Ca 0.26 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1ykp h GLU 24 Cb 0.07 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1ykp h GLU 24 CO -0.13 0.02 -0.07 0.00 -0.73 0.00 0.00 179.01 178.11 1ykp h ALA 25 N 0.76 1.62 0.00 2.92 0.00 -1.87 -0.09 119.26 122.59 1ykp h ALA 25 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ykp h ALA 25 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ykp h ALA 25 CO 0.01 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1ykp n ALA 26 N -2.40 2.63 -3.53 0.00 0.00 -0.86 -4.89 120.51 111.46 1ykp n ALA 26 Ca -0.03 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1ykp n ALA 26 Cb 0.15 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.26 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 0.87 -0.35 3.39 0.00 0.00 -0.05 -5.00 105.19 104.05 1ykp n GLY 27 Ca 0.19 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.28 3.30 0.47 1.61 0.01 -0.53 -5.02 114.94 110.49 1ykp s ASN 28 Ca 0.05 -0.79 -0.24 0.00 -0.71 0.00 0.00 52.86 51.17 1ykp s ASN 28 Cb -0.02 -0.23 -0.08 0.00 0.41 0.00 0.00 41.25 41.33 1ykp s ASN 28 CO 0.76 0.15 1.23 -0.81 -1.51 0.00 0.00 177.10 176.91 1ykp n PRO 29 N 0.68 1.71 -2.69 -0.60 -0.04 -1.26 -4.01 135.00 128.79 1ykp n PRO 29 Ca -0.16 0.61 -0.21 0.00 -0.04 0.00 0.00 63.50 63.71 1ykp n PRO 29 Cb 0.54 -2.36 0.04 0.00 -0.04 0.00 0.00 33.50 31.69 1ykp n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ykp s THR 30 N -1.26 2.60 0.63 0.52 -4.23 -1.26 -4.81 115.64 107.83 1ykp s THR 30 Ca 0.65 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 60.47 1ykp s THR 30 Cb -0.48 -2.90 0.12 0.00 1.34 0.00 0.00 72.50 70.58 1ykp s THR 30 CO 0.55 0.00 0.87 0.54 -0.54 0.00 0.00 174.62 176.04 1ykp n ARG 31 N -2.35 0.12 -0.36 3.99 1.74 -1.26 -4.99 116.66 113.53 1ykp n ARG 31 Ca 0.09 -2.58 0.02 0.00 -0.77 0.00 0.00 57.85 54.61 1ykp n ARG 31 Cb 0.60 -0.51 0.17 0.00 -1.02 0.00 0.00 32.46 31.69 1ykp n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1ykp h ASP 32 N -0.39 1.05 -3.26 0.55 3.32 -2.07 -3.41 116.42 112.21 1ykp h ASP 32 Ca -0.29 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.16 1ykp h ASP 32 Cb 1.12 -0.22 -0.34 0.00 0.22 0.00 0.00 39.33 40.11 1ykp h ASP 32 CO 0.33 0.69 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.60 1ykp s GLN 33 N -6.04 2.34 -0.03 3.56 -0.21 -1.26 -5.13 119.66 112.90 1ykp s GLN 33 Ca -0.12 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 54.67 1ykp s GLN 33 Cb 0.20 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1ykp s GLN 33 CO 0.81 -0.05 -0.09 -1.21 -2.12 0.00 0.00 175.29 172.64 1ykp s GLU 34 N 0.93 0.97 -0.55 2.91 0.41 -1.26 -5.10 118.70 117.01 1ykp s GLU 34 Ca -0.07 -0.30 -0.25 0.00 -0.41 0.00 0.00 54.97 53.94 1ykp s GLU 34 Cb -0.15 -0.90 0.04 0.00 -1.78 0.00 0.00 34.13 31.33 1ykp s GLU 34 CO -0.01 0.11 0.98 0.42 -0.49 0.00 0.00 175.26 176.27 1ykp s ILE 35 N 0.22 4.33 0.00 -1.63 1.01 -1.26 -4.99 121.20 118.88 1ykp s ILE 35 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.02 1ykp s ILE 35 Cb -0.09 -4.57 0.00 0.00 0.01 0.00 0.00 42.46 37.81 1ykp s ILE 35 CO 0.01 -1.14 0.00 1.87 0.00 0.00 0.00 174.94 175.67 1ykp n TRP 36 N 7.62 0.00 0.55 3.97 -0.00 -1.26 -4.54 117.44 123.77 1ykp n TRP 36 Ca 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.57 1ykp n TRP 36 Cb 0.48 0.00 0.16 0.00 -0.00 0.00 0.00 31.31 31.94 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 -0.01 2.43 -4.16 5.87 6.94 -0.95 -1.86 115.26 123.52 1ykp n ASN 37 Ca 0.00 -2.23 -0.35 0.00 -0.02 0.00 0.00 54.58 51.98 1ykp n ASN 37 Cb 0.00 -0.42 -0.13 0.00 -2.36 0.00 0.00 39.78 36.87 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 -1.67 2.29 0.03 -3.83 0.52 -1.26 0.12 118.95 115.15 1ykp s ARG 38 Ca 0.22 -1.42 0.16 0.00 -0.52 0.00 0.00 55.73 54.17 1ykp s ARG 38 Cb 0.15 -3.30 -0.16 0.00 0.52 0.00 0.00 34.95 32.16 1ykp s ARG 38 CO 0.10 -0.75 0.77 1.28 0.02 0.00 0.00 175.30 176.72 1ykp n LEU 39 N 4.61 0.85 -4.27 2.53 4.32 0.14 -4.83 117.00 120.35 1ykp n LEU 39 Ca -0.10 0.38 -0.32 0.00 -0.02 0.00 0.00 56.01 55.95 1ykp n LEU 39 Cb 0.43 0.10 -0.16 0.00 -1.62 0.00 0.00 43.42 42.17 1ykp n LEU 39 CO 0.28 0.20 -0.54 0.00 -1.22 0.00 0.00 177.39 176.11 1ykp s ALA 40 N -2.85 2.26 0.31 -1.18 0.00 -1.17 0.31 121.76 119.44 1ykp s ALA 40 Ca -0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 1ykp s ALA 40 Cb 0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 1ykp s ALA 40 CO 0.82 0.33 0.65 0.15 0.00 0.00 0.00 175.76 177.70 1ykp s LYS 41 N 0.16 3.79 0.37 0.00 1.02 0.57 -4.79 119.74 120.86 1ykp s LYS 41 Ca -0.12 0.34 0.17 0.00 0.02 0.00 0.00 55.97 56.37 1ykp s LYS 41 Cb -0.16 -2.53 1.08 0.00 -0.52 0.00 0.00 37.83 35.70 1ykp s LYS 41 CO 0.07 0.16 1.71 -1.35 -0.92 0.00 0.00 175.35 175.02 1ykp h PRO 42 N 1.89 0.38 -1.45 -1.68 0.11 -2.00 -1.18 132.00 128.07 1ykp h PRO 42 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1ykp h PRO 42 Cb 1.18 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1ykp h PRO 42 CO 0.66 0.25 0.14 -0.40 -0.21 0.00 0.00 178.00 178.44 1ykp n ASP 43 N -4.81 4.59 -4.83 -2.05 5.75 -1.26 -4.90 116.55 109.04 1ykp n ASP 43 Ca 0.29 -2.50 -0.33 0.00 -0.01 0.00 0.00 54.79 52.24 1ykp n ASP 43 Cb 0.94 -0.86 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.66 3.73 0.55 2.12 0.00 -0.45 -4.99 121.76 122.06 1ykp s ALA 44 Ca 0.11 -0.84 -0.21 0.00 0.00 0.00 0.00 51.96 51.02 1ykp s ALA 44 Cb 0.09 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 1ykp s ALA 44 CO 0.01 0.72 1.28 -1.25 0.00 0.00 0.00 175.76 176.52 1ykp s PRO 45 N -1.89 3.18 0.00 0.00 0.04 -1.26 -4.91 135.00 130.15 1ykp s PRO 45 Ca 0.25 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1ykp s PRO 45 Cb -0.12 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1ykp s PRO 45 CO 0.17 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1ykp n GLY 46 N 0.65 0.83 3.51 0.56 0.00 -1.26 -4.63 105.19 104.85 1ykp n GLY 46 Ca 0.11 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.91 3.29 0.01 1.61 2.12 -1.26 -4.96 118.70 118.60 1ykp s GLU 47 Ca 0.00 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1ykp s GLU 47 Cb 0.00 -3.93 -0.06 0.00 0.26 0.00 0.00 34.13 30.40 1ykp s GLU 47 CO 0.00 -0.88 1.55 -1.01 -0.54 0.00 0.00 175.26 174.38 1ykp s HIS 48 N 2.51 2.50 0.26 5.30 3.76 -1.26 -2.44 115.29 125.91 1ykp s HIS 48 Ca 0.18 0.50 0.08 0.00 -0.15 0.00 0.00 55.06 55.67 1ykp s HIS 48 Cb -0.15 -3.83 -0.05 0.00 1.11 0.00 0.00 32.58 29.66 1ykp s HIS 48 CO 0.16 -3.27 -0.11 0.96 -0.85 0.00 0.00 174.74 171.63 1ykp s ILE 49 N 2.86 1.82 -0.13 0.60 -4.36 -0.43 -4.66 121.20 116.91 1ykp s ILE 49 Ca 0.69 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 1ykp s ILE 49 Cb -0.35 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 1ykp s ILE 49 CO 0.29 -0.40 -0.17 -0.22 0.24 0.00 0.00 174.94 174.68 1ykp s LEU 50 N -3.42 2.50 -0.04 0.37 2.96 -0.62 -1.92 118.68 118.51 1ykp s LEU 50 Ca 0.27 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1ykp s LEU 50 Cb 0.01 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1ykp s LEU 50 CO 0.11 0.15 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.50 1ykp s LEU 51 N 0.43 3.38 0.07 -0.68 1.43 -0.33 -1.72 118.68 121.26 1ykp s LEU 51 Ca -0.12 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 52.83 1ykp s LEU 51 Cb -0.16 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1ykp s LEU 51 CO 0.06 0.33 0.35 -1.48 0.23 0.00 0.00 176.35 175.83 1ykp s LEU 52 N -1.18 0.66 0.01 1.79 -0.00 -1.04 -0.76 118.68 118.15 1ykp s LEU 52 Ca 0.16 -0.19 -0.29 0.00 -0.00 0.00 0.00 54.13 53.80 1ykp s LEU 52 Cb -0.11 1.56 0.11 0.00 -0.00 0.00 0.00 46.19 47.75 1ykp s LEU 52 CO 0.06 -0.69 1.24 -0.83 -0.00 0.00 0.00 176.35 176.12 1ykp s GLY 53 N -2.27 -0.37 0.41 -3.48 0.00 -1.10 -0.22 107.32 100.29 1ykp s GLY 53 Ca -0.02 0.57 0.07 0.00 0.00 0.00 0.00 44.72 45.34 1ykp s GLY 53 CO -0.06 0.37 0.03 1.20 0.00 0.00 0.00 173.10 174.64 1ykp s GLN 54 N -2.52 2.00 -0.09 2.90 -0.21 -1.25 -1.73 119.66 118.75 1ykp s GLN 54 Ca 0.15 -2.08 0.04 0.00 0.02 0.00 0.00 55.36 53.49 1ykp s GLN 54 Cb 0.04 -1.68 -0.01 0.00 1.00 0.00 0.00 33.01 32.36 1ykp s GLN 54 CO -0.03 -0.06 -0.23 0.08 -2.12 0.00 0.00 175.29 172.93 1ykp s VAL 55 N -2.70 2.21 0.06 1.09 1.01 -1.26 -0.48 120.40 120.34 1ykp s VAL 55 Ca 0.35 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1ykp s VAL 55 Cb 0.09 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1ykp s VAL 55 CO 0.18 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.36 1ykp s TYR 56 N 0.17 2.57 0.00 5.22 1.51 0.50 -1.14 117.35 126.18 1ykp s TYR 56 Ca -0.13 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1ykp s TYR 56 Cb -0.16 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1ykp s TYR 56 CO 0.07 0.30 0.00 -0.40 -1.11 0.00 0.00 175.55 174.41 1ykp n ASP 57 N 1.30 0.00 0.29 2.29 5.68 -0.48 -2.77 116.55 122.85 1ykp n ASP 57 Ca -0.16 -0.83 0.16 0.00 -0.50 0.00 0.00 54.79 53.46 1ykp n ASP 57 Cb 0.52 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.36 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 1.10 6.12 0.00 -1.91 -1.32 103.07 107.07 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 -0.47 0.70 0.00 0.00 0.00 176.54 176.77 1ykp n ASN 59 N -3.45 0.48 0.00 0.19 3.02 -1.26 -4.68 115.26 109.55 1ykp n ASN 59 Ca -0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1ykp n ASN 59 Cb 0.19 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.48 1.00 3.40 7.41 0.00 -0.50 -5.03 105.19 112.95 1ykp n GLY 60 Ca 0.05 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 2.88 0.30 1.61 3.76 -1.26 -4.82 115.29 115.76 1ykp s HIS 61 Ca 0.00 -0.59 -0.28 0.00 -0.15 0.00 0.00 55.06 54.04 1ykp s HIS 61 Cb 0.00 -1.89 -0.13 0.00 1.11 0.00 0.00 32.58 31.66 1ykp s HIS 61 CO 0.00 -0.20 1.15 1.28 -0.85 0.00 0.00 174.74 176.12 1ykp n LEU 62 N 3.64 2.56 -4.49 0.89 4.77 -1.26 -1.39 117.00 121.72 1ykp n LEU 62 Ca -0.18 1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 56.58 1ykp n LEU 62 Cb 0.52 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.14 1ykp n LEU 62 CO 0.31 -0.98 -0.13 -0.69 -1.33 0.00 0.00 177.39 174.57 1ykp s VAL 63 N -0.97 5.11 -0.96 4.08 1.01 -0.29 -4.87 120.40 123.50 1ykp s VAL 63 Ca 0.59 -0.39 0.13 0.00 0.00 0.00 0.00 61.98 62.31 1ykp s VAL 63 Cb -0.65 -3.68 0.38 0.00 0.00 0.00 0.00 36.38 32.43 1ykp s VAL 63 CO 0.60 -0.07 1.32 0.54 0.00 0.00 0.00 175.10 177.48 1ykp n ARG 64 N 5.09 2.91 -1.50 2.72 1.74 -1.26 -4.32 116.66 122.03 1ykp n ARG 64 Ca -0.12 -2.24 0.03 0.00 -0.77 0.00 0.00 57.85 54.75 1ykp n ARG 64 Cb 0.49 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.55 1.30 -4.88 0.55 5.68 -1.25 -3.85 116.55 114.65 1ykp n ASP 65 Ca 0.15 -2.40 -0.30 0.00 -0.50 0.00 0.00 54.79 51.74 1ykp n ASP 65 Cb 0.52 -0.36 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 1ykp n ASP 65 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1ykp s SER 66 N -2.47 6.35 -0.14 -1.12 0.15 -1.25 -4.31 113.70 110.91 1ykp s SER 66 Ca 0.34 1.19 -0.11 0.00 0.70 0.00 0.00 55.95 58.08 1ykp s SER 66 Cb 0.38 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.37 1ykp s SER 66 CO -0.13 -0.62 0.37 0.12 1.20 0.00 0.00 173.24 174.17 1ykp s PHE 67 N -2.77 -0.46 -0.04 3.44 5.36 0.17 -2.32 117.98 121.36 1ykp s PHE 67 Ca 0.52 1.06 0.05 0.00 -0.96 0.00 0.00 56.93 57.60 1ykp s PHE 67 Cb -0.10 0.17 -0.01 0.00 -0.34 0.00 0.00 43.02 42.74 1ykp s PHE 67 CO 0.43 -0.25 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.26 1ykp s LEU 68 N 0.68 1.94 -0.07 6.12 1.02 0.49 -1.68 118.68 127.18 1ykp s LEU 68 Ca -0.04 -0.36 0.04 0.00 0.02 0.00 0.00 54.13 53.79 1ykp s LEU 68 Cb -0.05 -1.00 -0.02 0.00 0.02 0.00 0.00 46.19 45.15 1ykp s LEU 68 CO -0.05 0.17 -0.19 -1.61 0.02 0.00 0.00 176.35 174.69 1ykp s GLU 69 N -0.04 2.76 0.20 1.70 2.02 0.15 -1.89 118.70 123.60 1ykp s GLU 69 Ca -0.02 -0.80 0.09 0.00 0.02 0.00 0.00 54.97 54.26 1ykp s GLU 69 Cb -0.11 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1ykp s GLU 69 CO 0.02 0.39 -0.09 0.14 0.02 0.00 0.00 175.26 175.74 1ykp s VAL 70 N -0.16 3.17 -0.19 2.63 -7.23 -0.81 0.73 120.40 118.53 1ykp s VAL 70 Ca -0.02 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 1ykp s VAL 70 Cb -0.14 -2.60 0.07 0.00 0.56 0.00 0.00 36.38 34.28 1ykp s VAL 70 CO 0.04 -0.17 0.45 0.86 -0.31 0.00 0.00 175.10 175.96 1ykp s TRP 71 N -1.86 -0.74 0.15 2.82 -0.00 0.13 -2.62 118.94 116.82 1ykp s TRP 71 Ca 0.26 1.49 -0.17 0.00 -0.00 0.00 0.00 56.10 57.68 1ykp s TRP 71 Cb -0.08 0.34 0.04 0.00 -0.00 0.00 0.00 33.47 33.76 1ykp s TRP 71 CO 0.16 -0.42 0.46 1.14 -0.00 0.00 0.00 176.95 178.29 1ykp s GLN 72 N 1.87 1.19 0.52 5.86 -2.07 0.33 -0.61 119.66 126.74 1ykp s GLN 72 Ca -0.07 -0.73 -0.09 0.00 -1.82 0.00 0.00 55.36 52.65 1ykp s GLN 72 Cb -0.09 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1ykp s GLN 72 CO -0.14 -0.48 0.88 0.00 -1.32 0.00 0.00 175.29 174.23 1ykp s ALA 73 N -3.82 3.26 1.05 2.60 0.00 -1.26 -4.49 121.76 119.10 1ykp s ALA 73 Ca 0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 1ykp s ALA 73 Cb 0.01 -2.81 0.11 0.00 0.00 0.00 0.00 23.12 20.43 1ykp s ALA 73 CO -0.09 -0.42 0.54 -0.40 0.00 0.00 0.00 175.76 175.39 1ykp n ASP 74 N -2.26 -0.62 0.18 0.00 5.68 0.93 -4.35 116.55 116.12 1ykp n ASP 74 Ca 0.03 -1.03 0.13 0.00 -0.50 0.00 0.00 54.79 53.42 1ykp n ASP 74 Cb 0.54 -0.45 0.63 0.00 -1.14 0.00 0.00 41.12 40.71 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 -2.09 1.00 -0.48 2.12 0.00 -1.82 0.28 119.26 118.27 1ykp h ALA 75 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ykp h ALA 75 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ykp h ALA 75 CO 0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.47 1ykp n ASN 76 N -2.43 2.99 -0.41 0.00 3.02 -1.26 -3.62 115.26 113.54 1ykp n ASN 76 Ca 0.00 -1.96 -0.01 0.00 -0.03 0.00 0.00 54.58 52.58 1ykp n ASN 76 Cb 0.15 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 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 1.40 0.60 3.19 7.41 0.00 -0.81 -4.77 105.19 112.22 1ykp n GLY 77 Ca 0.19 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.57 2.11 -0.33 1.61 2.02 -1.26 -4.72 118.70 113.56 1ykp s GLU 78 Ca 0.02 -0.74 -0.25 0.00 0.02 0.00 0.00 54.97 54.03 1ykp s GLU 78 Cb -0.01 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.42 1ykp s GLU 78 CO 0.02 0.30 0.85 0.71 0.02 0.00 0.00 175.26 177.16 1ykp s TYR 79 N -0.05 3.16 -0.45 1.61 1.51 -1.26 -0.05 117.35 121.82 1ykp s TYR 79 Ca -0.04 0.82 -0.18 0.00 -1.01 0.00 0.00 57.07 56.66 1ykp s TYR 79 Cb -0.12 -3.37 0.04 0.00 -0.11 0.00 0.00 41.96 38.39 1ykp s TYR 79 CO 0.03 -0.66 0.51 -0.65 -1.11 0.00 0.00 175.55 173.67 1ykp s GLN 80 N 3.15 3.11 -0.13 -0.62 -1.52 -1.26 -4.87 119.66 117.52 1ykp s GLN 80 Ca 0.35 -0.81 0.16 0.00 -1.95 0.00 0.00 55.36 53.11 1ykp s GLN 80 Cb -0.13 -4.02 -0.24 0.00 -0.22 0.00 0.00 33.01 28.39 1ykp s GLN 80 CO 0.14 -0.99 0.31 -0.40 -0.25 0.00 0.00 175.29 174.09 1ykp n ASP 81 N 5.80 0.32 -4.56 5.90 5.75 -1.26 -2.62 116.55 125.88 1ykp n ASP 81 Ca -0.07 0.15 -0.33 0.00 -0.01 0.00 0.00 54.79 54.54 1ykp n ASP 81 Cb 0.46 0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 41.15 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 -2.57 2.02 0.07 2.12 0.00 -1.26 -4.94 121.76 117.20 1ykp s ALA 82 Ca -0.08 -1.45 -0.31 0.00 0.00 0.00 0.00 51.96 50.13 1ykp s ALA 82 Cb 0.07 -4.48 -0.07 0.00 0.00 0.00 0.00 23.12 18.64 1ykp s ALA 82 CO 0.83 -4.32 1.43 -0.47 0.00 0.00 0.00 175.76 173.23 1ykp s TYR 83 N 8.72 2.99 -0.25 0.00 5.04 -1.26 -5.02 117.35 127.56 1ykp s TYR 83 Ca 0.63 0.81 -0.16 0.00 -2.44 0.00 0.00 57.07 55.91 1ykp s TYR 83 Cb -0.07 -3.72 0.07 0.00 0.35 0.00 0.00 41.96 38.59 1ykp s TYR 83 CO 0.03 -2.64 0.63 1.21 -1.34 0.00 0.00 175.55 173.44 1ykp s ASN 84 N 1.56 -0.81 0.25 4.32 3.84 -1.26 -5.01 114.94 117.83 1ykp s ASN 84 Ca 0.66 1.36 0.23 0.00 0.21 0.00 0.00 52.86 55.31 1ykp s ASN 84 Cb -0.35 1.26 0.98 0.00 -0.55 0.00 0.00 41.25 42.58 1ykp s ASN 84 CO 0.29 -0.23 1.68 0.18 -2.79 0.00 0.00 177.10 176.24 1ykp n LEU 85 N 3.98 0.61 -0.07 3.21 4.77 -1.26 -2.16 117.00 126.08 1ykp n LEU 85 Ca -0.19 0.67 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 1ykp n LEU 85 Cb 0.58 -0.60 0.53 0.00 -2.33 0.00 0.00 43.42 41.59 1ykp n LEU 85 CO 0.01 -0.60 0.80 -0.62 -1.33 0.00 0.00 177.39 175.65 1ykp n GLU 86 N -2.19 0.39 -1.72 3.23 1.02 -1.26 -4.90 120.64 115.21 1ykp n GLU 86 Ca 0.02 -0.14 -0.30 0.00 -0.02 0.00 0.00 57.16 56.71 1ykp n GLU 86 Cb 0.20 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1ykp n GLU 86 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ykp s ASN 87 N -2.70 5.02 0.13 1.62 0.01 -0.92 -4.96 114.94 113.14 1ykp s ASN 87 Ca 0.22 1.24 -0.10 0.00 -0.71 0.00 0.00 52.86 53.51 1ykp s ASN 87 Cb 0.19 -2.02 -0.08 0.00 0.41 0.00 0.00 41.25 39.75 1ykp s ASN 87 CO 0.54 -1.62 1.37 0.00 -1.51 0.00 0.00 177.10 175.87 1ykp h ALA 88 N -0.85 0.43 -3.84 0.60 0.00 -1.90 -3.44 119.26 110.25 1ykp h ALA 88 Ca -0.46 -0.57 -0.49 0.00 0.00 0.00 0.00 54.91 53.40 1ykp h ALA 88 Cb 1.26 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.69 1ykp h ALA 88 CO 0.61 0.70 -0.81 0.12 0.00 0.00 0.00 179.25 179.87 1ykp s PHE 89 N -3.85 1.27 0.02 0.00 5.36 -1.26 -0.32 117.98 119.21 1ykp s PHE 89 Ca -0.09 -0.34 0.08 0.00 -0.96 0.00 0.00 56.93 55.61 1ykp s PHE 89 Cb 0.10 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.87 1ykp s PHE 89 CO 0.89 -0.13 -0.22 -0.80 -1.46 0.00 0.00 175.22 173.49 1ykp s ASN 90 N 0.14 3.44 0.00 6.13 0.01 0.15 -4.96 114.94 119.84 1ykp s ASN 90 Ca -0.04 -0.47 0.27 0.00 -0.71 0.00 0.00 52.86 51.91 1ykp s ASN 90 Cb -0.10 -0.46 1.25 0.00 0.41 0.00 0.00 41.25 42.35 1ykp s ASN 90 CO 0.01 0.28 1.90 -1.20 -1.51 0.00 0.00 177.10 176.58 1ykp n SER 91 N 1.88 0.00 -4.27 -1.22 7.64 -1.08 -4.76 113.62 111.82 1ykp n SER 91 Ca -0.17 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.70 1ykp n SER 91 Cb 0.52 -0.42 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.85 2.20 0.35 1.43 5.36 -1.26 -0.52 117.98 122.70 1ykp s PHE 92 Ca 0.18 -0.49 -0.06 0.00 -0.96 0.00 0.00 56.93 55.59 1ykp s PHE 92 Cb 0.18 -1.43 0.02 0.00 -0.34 0.00 0.00 43.02 41.46 1ykp s PHE 92 CO 0.47 -0.09 0.56 0.41 -1.46 0.00 0.00 175.22 175.11 1ykp n GLY 93 N 2.65 1.76 3.02 13.12 0.00 -1.08 -4.90 105.19 119.76 1ykp n GLY 93 Ca -0.16 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 1ykp n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ykp s ARG 94 N -2.53 0.42 0.37 1.61 0.52 -0.78 -1.92 118.95 116.64 1ykp s ARG 94 Ca 0.23 -0.62 -0.03 0.00 -0.52 0.00 0.00 55.73 54.79 1ykp s ARG 94 Cb -0.02 -0.16 0.01 0.00 0.52 0.00 0.00 34.95 35.30 1ykp s ARG 94 CO 0.17 0.02 0.53 -0.08 0.02 0.00 0.00 175.30 175.96 1ykp s THR 95 N -1.22 0.00 -0.10 0.02 -1.32 -0.79 -2.24 115.64 109.98 1ykp s THR 95 Ca -0.10 -1.52 -0.30 0.00 -1.21 0.00 0.00 61.69 58.56 1ykp s THR 95 Cb -0.09 -2.73 0.12 0.00 -1.51 0.00 0.00 72.50 68.29 1ykp s THR 95 CO -0.00 0.00 0.98 0.00 -2.21 0.00 0.00 174.62 173.39 1ykp s ALA 96 N -2.79 -1.91 -0.14 11.08 0.00 -1.26 -0.38 121.76 126.37 1ykp s ALA 96 Ca 0.29 1.36 -0.04 0.00 0.00 0.00 0.00 51.96 53.57 1ykp s ALA 96 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1ykp s ALA 96 CO 0.21 -0.49 0.00 0.95 0.00 0.00 0.00 175.76 176.43 1ykp s THR 97 N -2.04 4.28 0.32 0.00 -4.23 -0.98 -4.11 115.64 108.87 1ykp s THR 97 Ca 0.02 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1ykp s THR 97 Cb -0.01 -2.86 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 1ykp s THR 97 CO -0.03 0.53 0.02 0.35 -0.54 0.00 0.00 174.62 174.94 1ykp n THR 98 N 3.02 0.00 0.07 3.99 -2.24 0.58 -3.86 114.28 115.83 1ykp n THR 98 Ca -0.18 -1.57 0.01 0.00 -2.27 0.00 0.00 64.05 60.04 1ykp n THR 98 Cb 0.53 0.36 0.33 0.00 -2.10 0.00 0.00 70.33 69.44 1ykp n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ykp h PHE 99 N 1.22 0.36 0.32 4.78 0.04 -1.94 -3.28 116.94 118.43 1ykp h PHE 99 Ca -0.26 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.44 1ykp h PHE 99 Cb 0.83 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1ykp h PHE 99 CO 0.00 0.47 -0.15 -0.44 -0.60 0.00 0.00 178.31 177.59 1ykp h ASP 100 N 0.31 -0.36 -2.75 2.17 3.32 -1.97 -3.38 116.42 113.77 1ykp h ASP 100 Ca 0.06 -0.12 -0.69 0.00 0.02 0.00 0.00 57.03 56.30 1ykp h ASP 100 Cb 0.44 0.09 -0.18 0.00 0.22 0.00 0.00 39.33 39.91 1ykp h ASP 100 CO 0.03 0.11 0.47 0.00 -1.72 0.00 0.00 179.24 178.12 1ykp s ALA 101 N -3.92 3.37 -2.00 3.45 0.00 -1.24 -4.91 121.76 116.52 1ykp s ALA 101 Ca -0.10 -2.39 0.15 0.00 0.00 0.00 0.00 51.96 49.61 1ykp s ALA 101 Cb 0.01 -3.79 0.88 0.00 0.00 0.00 0.00 23.12 20.22 1ykp s ALA 101 CO 0.34 -2.67 1.40 0.41 0.00 0.00 0.00 175.76 175.24 1ykp n GLY 102 N 5.26 -0.75 3.00 0.00 0.00 -1.24 0.21 105.19 111.67 1ykp n GLY 102 Ca 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1ykp n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykp s GLU 103 N -2.00 0.39 0.30 1.61 2.12 -1.26 -4.65 118.70 115.21 1ykp s GLU 103 Ca 0.22 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 55.06 1ykp s GLU 103 Cb 0.10 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.33 1ykp s GLU 103 CO 0.17 0.02 0.24 1.67 -0.54 0.00 0.00 175.26 176.82 1ykp s TRP 104 N -1.13 2.98 0.10 5.30 1.48 -0.71 -4.70 118.94 122.26 1ykp s TRP 104 Ca -0.10 -0.22 -0.04 0.00 -1.06 0.00 0.00 56.10 54.68 1ykp s TRP 104 Cb -0.08 -1.62 -0.03 0.00 -1.16 0.00 0.00 33.47 30.59 1ykp s TRP 104 CO -0.00 0.34 0.09 0.95 -4.06 0.00 0.00 176.95 174.27 1ykp s THR 105 N -2.24 0.15 -0.06 0.66 -4.23 -1.26 -2.71 115.64 105.94 1ykp s THR 105 Ca 0.37 -1.62 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1ykp s THR 105 Cb -0.07 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.14 1ykp s THR 105 CO 0.26 -0.67 0.26 -0.22 -0.54 0.00 0.00 174.62 173.70 1ykp s LEU 106 N -2.95 1.04 -0.25 4.79 2.96 0.06 -4.79 118.68 119.54 1ykp s LEU 106 Ca 0.12 0.31 -0.05 0.00 -0.22 0.00 0.00 54.13 54.29 1ykp s LEU 106 Cb 0.06 0.96 -0.01 0.00 0.50 0.00 0.00 46.19 47.71 1ykp s LEU 106 CO -0.06 -0.22 0.02 -1.00 -1.32 0.00 0.00 176.35 173.77 1ykp s HIS 107 N -0.45 3.05 0.09 5.38 3.76 0.12 -1.19 115.29 126.05 1ykp s HIS 107 Ca -0.06 -0.86 -0.02 0.00 -0.15 0.00 0.00 55.06 53.97 1ykp s HIS 107 Cb -0.04 -2.18 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1ykp s HIS 107 CO 0.01 -0.52 0.16 -2.37 -0.85 0.00 0.00 174.74 171.18 1ykp n THR 108 N 4.84 0.00 -4.33 1.30 5.66 -0.81 -0.68 114.28 120.26 1ykp n THR 108 Ca -0.16 -0.30 -0.30 0.00 -3.05 0.00 0.00 64.05 60.23 1ykp n THR 108 Cb 0.50 0.25 -0.11 0.00 -1.55 0.00 0.00 70.33 69.42 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 -2.70 3.11 0.14 1.08 -7.23 -1.26 -1.32 120.40 112.22 1ykp s VAL 109 Ca 0.05 -1.31 -0.31 0.00 -1.81 0.00 0.00 61.98 58.60 1ykp s VAL 109 Cb -0.01 -2.42 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 1ykp s VAL 109 CO 0.04 0.16 1.75 -0.75 -0.31 0.00 0.00 175.10 175.98 1ykp s LYS 110 N -2.02 4.15 0.41 4.82 2.20 -1.02 -4.88 119.74 123.41 1ykp s LYS 110 Ca 0.19 2.53 -0.25 0.00 -0.36 0.00 0.00 55.97 58.07 1ykp s LYS 110 Cb -0.11 -3.43 -0.08 0.00 -1.51 0.00 0.00 37.83 32.70 1ykp s LYS 110 CO 0.11 -0.78 1.22 -1.25 -0.36 0.00 0.00 175.35 174.29 1ykp s PRO 111 N 2.18 3.98 0.97 4.03 0.04 -1.26 -4.30 135.00 140.64 1ykp s PRO 111 Ca 0.77 1.96 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 1ykp s PRO 111 Cb -0.46 -2.68 0.17 0.00 0.04 0.00 0.00 34.50 31.58 1ykp s PRO 111 CO 0.34 -0.42 1.13 0.20 0.04 0.00 0.00 177.00 178.29 1ykp s GLY 112 N -1.00 1.58 0.37 0.56 0.00 0.92 -4.72 107.32 105.03 1ykp s GLY 112 Ca 0.58 -0.56 -0.16 0.00 0.00 0.00 0.00 44.72 44.57 1ykp s GLY 112 CO 0.42 0.05 0.81 0.14 0.00 0.00 0.00 173.10 174.52 1ykp s VAL 113 N -3.20 4.61 0.03 1.40 1.01 -1.26 -4.36 120.40 118.63 1ykp s VAL 113 Ca 0.65 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.71 1ykp s VAL 113 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1ykp s VAL 113 CO 0.55 -0.29 -0.07 0.68 0.00 0.00 0.00 175.10 175.97 1ykp s VAL 114 N -2.11 0.49 0.31 2.92 -7.23 -1.26 -4.38 120.40 109.14 1ykp s VAL 114 Ca 0.56 -0.83 -0.24 0.00 -1.81 0.00 0.00 61.98 59.66 1ykp s VAL 114 Cb -0.10 -0.53 -0.10 0.00 0.56 0.00 0.00 36.38 36.22 1ykp s VAL 114 CO 0.19 -0.24 0.90 0.20 -0.31 0.00 0.00 175.10 175.83 1ykp s ASN 115 N -1.16 7.24 1.03 4.85 0.01 -1.26 -1.23 114.94 124.42 1ykp s ASN 115 Ca -0.07 1.73 -0.04 0.00 -0.71 0.00 0.00 52.86 53.77 1ykp s ASN 115 Cb -0.08 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.10 1ykp s ASN 115 CO 0.00 -0.08 0.24 -0.46 -1.51 0.00 0.00 177.10 175.30 1ykp n ASN 116 N 0.47 -0.75 0.18 -1.22 6.94 0.23 -4.86 115.26 116.24 1ykp n ASN 116 Ca 0.02 -0.81 0.04 0.00 -0.02 0.00 0.00 54.58 53.80 1ykp n ASN 116 Cb 0.51 -0.21 0.34 0.00 -2.36 0.00 0.00 39.78 38.06 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 -2.08 1.13 -0.42 -2.53 0.00 -1.97 -2.32 119.26 111.06 1ykp h ALA 117 Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ykp h ALA 117 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ykp h ALA 117 CO 0.06 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1ykp n ALA 118 N -2.37 2.71 -0.05 0.00 0.00 -1.26 -4.91 120.51 114.64 1ykp n ALA 118 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1ykp n ALA 118 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.96 1.31 3.78 0.00 0.00 -0.87 -5.03 105.19 105.33 1ykp n GLY 119 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.50 4.35 0.43 1.61 1.01 -1.26 -4.66 120.40 119.37 1ykp s VAL 120 Ca 0.00 1.71 -0.23 0.00 0.00 0.00 0.00 61.98 63.46 1ykp s VAL 120 Cb 0.00 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 1ykp s VAL 120 CO 0.00 0.49 1.09 -2.16 0.00 0.00 0.00 175.10 174.52 1ykp s PRO 121 N -1.23 3.99 0.10 2.72 0.04 -1.26 0.74 135.00 140.10 1ykp s PRO 121 Ca 0.37 1.60 0.01 0.00 0.04 0.00 0.00 61.00 63.03 1ykp s PRO 121 Cb -0.23 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 1ykp s PRO 121 CO 0.26 -0.32 0.24 -1.64 0.04 0.00 0.00 177.00 175.59 1ykp s MET 122 N -2.62 3.42 0.79 4.56 -1.94 -0.36 -4.29 119.30 118.86 1ykp s MET 122 Ca 0.61 -0.52 -0.11 0.00 -1.71 0.00 0.00 55.69 53.96 1ykp s MET 122 Cb -0.24 -3.00 0.06 0.00 2.01 0.00 0.00 34.83 33.67 1ykp s MET 122 CO 0.30 0.57 1.09 0.00 -0.01 0.00 0.00 175.02 176.96 1ykp s ALA 123 N -1.62 2.18 0.10 3.03 0.00 -1.26 -4.27 121.76 119.91 1ykp s ALA 123 Ca 0.35 0.21 -0.33 0.00 0.00 0.00 0.00 51.96 52.19 1ykp s ALA 123 Cb -0.12 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 1ykp s ALA 123 CO 0.28 -1.82 1.76 -2.30 0.00 0.00 0.00 175.76 173.68 1ykp n PRO 124 N -3.55 2.47 -4.07 0.00 -0.02 -1.26 -4.79 135.00 123.77 1ykp n PRO 124 Ca 0.09 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.39 1ykp n PRO 124 Cb 0.53 -2.74 -0.10 0.00 -0.02 0.00 0.00 33.50 31.17 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 2.36 0.48 -0.12 6.00 -3.43 -1.26 -4.34 115.29 114.97 1ykp s HIS 125 Ca 0.83 -0.99 0.01 0.00 -0.80 0.00 0.00 55.06 54.11 1ykp s HIS 125 Cb -0.59 -0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 30.20 1ykp s HIS 125 CO 0.40 -0.37 -0.16 0.42 -2.00 0.00 0.00 174.74 173.04 1ykp s ILE 126 N -3.65 2.83 -0.18 -5.38 1.01 -0.01 -4.61 121.20 111.21 1ykp s ILE 126 Ca 0.04 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 1ykp s ILE 126 Cb 0.06 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1ykp s ILE 126 CO -0.09 0.53 0.84 0.20 0.00 0.00 0.00 174.94 176.43 1ykp s ASN 127 N 0.31 6.95 -0.07 3.58 0.01 0.22 -0.89 114.94 125.05 1ykp s ASN 127 Ca -0.12 1.17 0.05 0.00 -0.71 0.00 0.00 52.86 53.25 1ykp s ASN 127 Cb -0.16 -2.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1ykp s ASN 127 CO 0.06 -0.43 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.37 1ykp s ILE 128 N 2.30 2.24 -0.23 0.60 1.01 -1.06 -0.69 121.20 125.36 1ykp s ILE 128 Ca 0.38 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 1ykp s ILE 128 Cb -0.16 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1ykp s ILE 128 CO 0.11 0.57 -0.00 -0.44 0.00 0.00 0.00 174.94 175.18 1ykp s SER 129 N -0.08 4.60 -0.25 3.58 0.01 0.22 -0.94 113.70 120.85 1ykp s SER 129 Ca -0.06 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 1ykp s SER 129 Cb -0.14 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 1ykp s SER 129 CO 0.04 -0.04 0.12 -0.22 0.41 0.00 0.00 173.24 173.56 1ykp s LEU 130 N 1.52 3.78 0.03 2.44 2.96 0.57 0.34 118.68 130.31 1ykp s LEU 130 Ca 0.06 -0.05 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1ykp s LEU 130 Cb -0.15 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1ykp s LEU 130 CO -0.01 0.01 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.51 1ykp s PHE 131 N 1.36 1.47 0.01 5.38 0.40 -0.68 -0.90 117.98 125.02 1ykp s PHE 131 Ca 0.06 -0.34 -0.28 0.00 -0.60 0.00 0.00 56.93 55.77 1ykp s PHE 131 Cb -0.15 -0.89 0.09 0.00 0.51 0.00 0.00 43.02 42.59 1ykp s PHE 131 CO 0.06 0.04 1.25 0.00 0.70 0.00 0.00 175.22 177.27 1ykp s ALA 132 N -0.73 -2.32 0.43 5.36 0.00 -1.26 -0.66 121.76 122.59 1ykp s ALA 132 Ca 0.05 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.80 1ykp s ALA 132 Cb -0.08 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.79 1ykp s ALA 132 CO 0.01 -1.13 1.26 -0.98 0.00 0.00 0.00 175.76 174.92 1ykp s ARG 133 N -2.08 3.85 0.00 0.00 1.70 -1.26 -1.23 118.95 119.91 1ykp s ARG 133 Ca 0.27 2.04 0.00 0.00 -0.47 0.00 0.00 55.73 57.57 1ykp s ARG 133 Cb -0.00 -2.62 0.00 0.00 -0.57 0.00 0.00 34.95 31.76 1ykp s ARG 133 CO -0.00 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.07 1ykp n GLY 134 N 0.63 2.45 3.21 3.88 0.00 -1.26 -4.97 105.19 109.13 1ykp n GLY 134 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.01 3.47 0.15 -0.61 1.01 -0.37 -4.97 121.20 116.87 1ykp s ILE 135 Ca 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 60.65 59.17 1ykp s ILE 135 Cb 0.00 -3.08 -0.13 0.00 0.01 0.00 0.00 42.46 39.26 1ykp s ILE 135 CO 0.00 -0.29 1.38 0.78 0.00 0.00 0.00 174.94 176.80 1ykp h ASN 136 N 8.13 0.62 -4.26 3.58 2.35 -1.91 -3.32 115.58 120.77 1ykp h ASN 136 Ca -0.20 -0.42 -0.36 0.00 -0.55 0.00 0.00 56.30 54.76 1ykp h ASN 136 Cb 1.07 -0.18 -0.26 0.00 0.05 0.00 0.00 38.32 39.00 1ykp h ASN 136 CO 0.62 1.18 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.30 1ykp s ILE 137 N -3.59 0.72 0.62 2.81 2.07 -1.26 -3.14 121.20 119.43 1ykp s ILE 137 Ca -0.07 -0.69 -0.17 0.00 -1.41 0.00 0.00 60.65 58.31 1ykp s ILE 137 Cb 0.10 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 42.00 1ykp s ILE 137 CO 0.86 -0.01 1.16 -1.38 -1.91 0.00 0.00 174.94 173.67 1ykp s HIS 138 N -0.65 2.46 -0.06 3.50 -3.43 -1.26 -5.00 115.29 110.84 1ykp s HIS 138 Ca -0.01 1.55 -0.13 0.00 -0.80 0.00 0.00 55.06 55.67 1ykp s HIS 138 Cb -0.06 -3.36 -0.05 0.00 -1.43 0.00 0.00 32.58 27.68 1ykp s HIS 138 CO 0.00 -2.00 0.33 -0.51 -2.00 0.00 0.00 174.74 170.57 1ykp s LEU 139 N -4.39 4.41 -0.15 5.38 1.43 -0.08 -4.85 118.68 120.43 1ykp s LEU 139 Ca 0.73 0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1ykp s LEU 139 Cb -0.26 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1ykp s LEU 139 CO 0.36 0.30 -0.01 -1.00 0.23 0.00 0.00 176.35 176.23 1ykp s HIS 140 N -0.78 3.09 0.23 0.29 3.76 -1.26 -0.32 115.29 120.32 1ykp s HIS 140 Ca 0.21 -0.15 0.05 0.00 -0.15 0.00 0.00 55.06 55.02 1ykp s HIS 140 Cb -0.15 -1.97 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 1ykp s HIS 140 CO 0.10 0.07 0.18 -2.37 -0.85 0.00 0.00 174.74 171.87 1ykp n THR 141 N 3.37 0.00 -4.10 1.30 5.66 -0.12 -0.72 114.28 119.67 1ykp n THR 141 Ca -0.17 -1.68 -0.15 0.00 -3.05 0.00 0.00 64.05 59.01 1ykp n THR 141 Cb 0.53 0.81 -0.13 0.00 -1.55 0.00 0.00 70.33 69.98 1ykp n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1ykp s ARG 142 N -2.95 0.41 -0.22 1.09 0.52 -1.26 -2.57 118.95 113.97 1ykp s ARG 142 Ca 0.26 -0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 55.07 1ykp s ARG 142 Cb 0.01 -0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.13 1ykp s ARG 142 CO 0.18 0.08 0.02 -1.17 0.02 0.00 0.00 175.30 174.43 1ykp s LEU 143 N -0.56 3.25 0.43 2.53 0.20 -0.07 -4.74 118.68 119.72 1ykp s LEU 143 Ca -0.02 -0.24 0.07 0.00 0.69 0.00 0.00 54.13 54.63 1ykp s LEU 143 Cb -0.04 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1ykp s LEU 143 CO -0.00 0.01 0.35 -0.31 -0.29 0.00 0.00 176.35 176.11 1ykp s TYR 144 N 1.32 2.55 -0.08 5.38 1.51 0.12 -0.83 117.35 127.33 1ykp s TYR 144 Ca 0.04 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1ykp s TYR 144 Cb -0.15 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1ykp s TYR 144 CO 0.01 -0.12 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.18 1ykp s PHE 145 N -2.53 2.89 0.08 2.71 0.40 -1.26 0.21 117.98 120.47 1ykp s PHE 145 Ca 0.46 -0.10 0.33 0.00 -0.60 0.00 0.00 56.93 57.01 1ykp s PHE 145 Cb -0.02 -1.73 1.49 0.00 0.51 0.00 0.00 43.02 43.27 1ykp s PHE 145 CO 0.26 0.22 1.99 0.38 0.70 0.00 0.00 175.22 178.77 1ykp h ASP 146 N 5.55 0.00 -0.22 1.36 2.03 -1.81 -2.53 116.42 120.81 1ykp h ASP 146 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1ykp h ASP 146 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1ykp h ASP 146 CO 0.53 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.84 1ykp n ASP 147 N -2.86 1.41 -1.90 4.15 5.75 -1.26 -3.47 116.55 118.37 1ykp n ASP 147 Ca 0.00 -1.85 -0.16 0.00 -0.01 0.00 0.00 54.79 52.77 1ykp n ASP 147 Cb 0.22 -0.14 0.05 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.21 3.03 0.30 0.11 -0.58 -0.95 -4.87 120.64 117.90 1ykp n GLU 148 Ca 0.12 -3.92 0.17 0.00 -0.42 0.00 0.00 57.16 53.11 1ykp n GLU 148 Cb 0.25 -2.06 0.96 0.00 -0.57 0.00 0.00 31.44 30.02 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 2.03 1.31 0.02 0.62 0.00 -1.75 -0.41 119.26 121.08 1ykp h ALA 149 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ykp h ALA 149 Cb 1.44 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1ykp h ALA 149 CO 0.57 0.03 -0.25 1.96 0.00 0.00 0.00 179.25 181.56 1ykp h GLN 150 N 0.00 0.04 -0.51 0.00 4.20 -1.91 -2.79 115.11 114.14 1ykp h GLN 150 Ca -0.00 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1ykp h GLN 150 Cb 0.09 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1ykp h GLN 150 CO 0.00 1.04 0.11 0.00 -0.67 0.00 0.00 178.83 179.31 1ykp h ALA 151 N -0.04 0.68 -0.41 3.87 0.00 -1.84 -3.14 119.26 118.39 1ykp h ALA 151 Ca -0.06 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1ykp h ALA 151 Cb 1.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1ykp h ALA 151 CO 0.00 0.38 0.33 -0.91 0.00 0.00 0.00 179.25 179.06 1ykp h ASN 152 N 0.72 0.00 1.51 0.00 2.35 -1.13 -1.19 115.58 117.83 1ykp h ASN 152 Ca 0.16 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1ykp h ASN 152 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1ykp h ASN 152 CO 0.00 0.00 -0.23 0.00 -1.65 0.00 0.00 177.43 175.55 1ykp h ALA 153 N 1.72 0.89 -0.43 -0.83 0.00 -1.44 -3.01 119.26 116.15 1ykp h ALA 153 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ykp h ALA 153 Cb 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ykp h ALA 153 CO -0.00 0.29 0.00 1.63 0.00 0.00 0.00 179.25 181.17 1ykp n LYS 154 N -3.21 2.47 -2.19 0.00 4.76 -0.47 -4.91 118.16 114.61 1ykp n LYS 154 Ca 0.02 -2.28 -0.42 0.00 -2.87 0.00 0.00 58.31 52.76 1ykp n LYS 154 Cb 0.56 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 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 5.24 0.14 -0.09 0.00 -0.04 -1.26 -1.26 135.00 137.73 1ykp n PRO 156 Ca 0.13 0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.70 1ykp n PRO 156 Cb 0.43 -1.72 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.86 -0.95 0.52 2.07 -1.93 -3.23 116.25 113.60 1ykp h VAL 157 Ca 0.00 -1.93 0.12 0.00 0.82 0.00 0.00 66.70 65.72 1ykp h VAL 157 Cb 0.45 1.90 -0.08 0.00 -1.52 0.00 0.00 31.29 32.03 1ykp h VAL 157 CO 0.00 0.29 0.57 0.25 0.02 0.00 0.00 177.57 178.70 1ykp h LEU 158 N -1.00 0.82 -0.01 2.57 5.85 -1.84 -0.61 115.31 121.08 1ykp h LEU 158 Ca -0.20 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1ykp h LEU 158 Cb 1.02 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1ykp h LEU 158 CO -0.12 0.42 0.00 0.59 -0.34 0.00 0.00 178.44 178.99 1ykp n ASN 159 N -4.69 0.01 0.00 1.25 3.02 -0.39 -2.41 115.26 112.06 1ykp n ASN 159 Ca 0.18 0.50 0.14 0.00 -0.03 0.00 0.00 54.58 55.37 1ykp n ASN 159 Cb 0.36 -0.50 0.69 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.51 0.00 -4.58 3.41 4.77 -0.24 -4.59 117.00 114.27 1ykp n LEU 160 Ca 0.00 0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 55.95 1ykp n LEU 160 Cb 0.01 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 1ykp n LEU 160 CO 0.01 -0.01 0.24 -0.63 -1.33 0.00 0.00 177.39 175.67 1ykp s ILE 161 N -2.75 5.03 0.15 -0.08 1.01 -1.01 -4.95 121.20 118.60 1ykp s ILE 161 Ca 0.22 0.53 -0.17 0.00 0.00 0.00 0.00 60.65 61.23 1ykp s ILE 161 Cb 0.19 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1ykp s ILE 161 CO 0.48 -0.12 1.76 -0.33 0.00 0.00 0.00 174.94 176.73 1ykp h GLU 162 N 8.32 0.28 -5.31 2.79 5.08 -1.89 -3.40 114.58 120.45 1ykp h GLU 162 Ca -0.28 -0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.41 1ykp h GLU 162 Cb 1.13 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 1ykp h GLU 162 CO 0.75 0.18 0.04 -0.65 -1.00 0.00 0.00 179.01 178.33 1ykp s GLN 163 N -6.16 3.45 0.34 2.33 -1.52 -1.26 -4.97 119.66 111.87 1ykp s GLN 163 Ca -0.13 -0.26 0.12 0.00 -1.95 0.00 0.00 55.36 53.14 1ykp s GLN 163 Cb 0.11 -3.88 1.07 0.00 -0.22 0.00 0.00 33.01 30.09 1ykp s GLN 163 CO 0.71 -0.82 1.57 -1.35 -0.25 0.00 0.00 175.29 175.15 1ykp h PRO 164 N 8.64 0.00 -0.21 2.91 0.11 -1.99 -1.10 132.00 140.36 1ykp h PRO 164 Ca -0.26 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 1ykp h PRO 164 Cb 1.11 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ykp h PRO 164 CO 0.83 0.00 0.07 1.96 -0.21 0.00 0.00 178.00 180.65 1ykp h GLN 165 N 0.00 0.29 -0.06 1.05 7.50 -1.96 -2.66 115.11 119.28 1ykp h GLN 165 Ca 0.73 -0.03 -0.14 0.00 0.50 0.00 0.00 58.65 59.71 1ykp h GLN 165 Cb 1.77 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 29.23 1ykp h GLN 165 CO -0.85 0.27 -0.58 0.00 -1.50 0.00 0.00 178.83 176.16 1ykp h ARG 166 N 0.30 0.19 -0.53 1.46 3.08 -1.60 -3.10 114.38 114.17 1ykp h ARG 166 Ca 0.07 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1ykp h ARG 166 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ykp h ARG 166 CO -0.01 0.72 0.08 0.00 -1.07 0.00 0.00 179.97 179.69 1ykp h ARG 167 N 0.14 0.85 -0.05 0.04 3.08 -1.45 -0.43 114.38 116.57 1ykp h ARG 167 Ca -0.00 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1ykp h ARG 167 Cb 1.07 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ykp h ARG 167 CO 0.09 0.80 0.11 0.93 -1.07 0.00 0.00 179.97 180.83 1ykp h GLU 168 N 0.81 0.00 0.00 0.04 5.08 -1.45 -2.55 114.58 116.51 1ykp h GLU 168 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ykp h GLU 168 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ykp h GLU 168 CO 0.01 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.27 1ykp n THR 169 N -3.36 0.69 1.51 1.13 -2.24 -0.17 -2.64 114.28 109.20 1ykp n THR 169 Ca -0.02 -0.10 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1ykp n THR 169 Cb 0.19 -0.80 0.57 0.00 -2.10 0.00 0.00 70.33 68.18 1ykp n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ykp n LEU 170 N -2.28 1.09 -4.52 3.22 4.77 -0.96 -4.79 117.00 113.53 1ykp n LEU 170 Ca 0.04 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.27 1ykp n LEU 170 Cb 0.36 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1ykp n LEU 170 CO 0.27 0.19 0.21 -0.63 -1.33 0.00 0.00 177.39 176.09 1ykp s ILE 171 N -2.14 5.01 0.02 -0.08 1.01 -1.08 0.13 121.20 124.06 1ykp s ILE 171 Ca 0.36 0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.78 1ykp s ILE 171 Cb 0.21 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1ykp s ILE 171 CO 0.39 -0.37 0.78 0.00 0.00 0.00 0.00 174.94 175.74 1ykp s ALA 172 N 2.38 3.33 -0.01 9.38 0.00 0.55 -4.84 121.76 132.54 1ykp s ALA 172 Ca 0.17 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1ykp s ALA 172 Cb -0.16 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1ykp s ALA 172 CO 0.15 -0.01 1.41 0.15 0.00 0.00 0.00 175.76 177.46 1ykp s LYS 173 N 0.25 4.27 0.03 0.00 -0.14 -1.03 -2.45 119.74 120.68 1ykp s LYS 173 Ca 0.40 1.97 -0.30 0.00 -1.36 0.00 0.00 55.97 56.67 1ykp s LYS 173 Cb -0.20 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 1ykp s LYS 173 CO 0.23 -0.61 1.10 0.50 -0.76 0.00 0.00 175.35 175.81 1ykp s ARG 174 N 2.59 4.49 0.15 1.68 3.52 -1.26 0.39 118.95 130.51 1ykp s ARG 174 Ca 0.64 1.62 0.02 0.00 -0.13 0.00 0.00 55.73 57.88 1ykp s ARG 174 Cb -0.31 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1ykp s ARG 174 CO 0.26 -0.17 0.15 0.00 -0.81 0.00 0.00 175.30 174.74 1ykp s GLU 176 N -2.52 0.28 -0.25 0.00 2.02 -1.26 -2.27 118.70 114.69 1ykp s GLU 176 Ca 0.16 0.09 0.02 0.00 0.02 0.00 0.00 54.97 55.26 1ykp s GLU 176 Cb 0.00 -0.47 0.06 0.00 0.10 0.00 0.00 34.13 33.83 1ykp s GLU 176 CO 0.11 -0.14 -0.06 0.08 0.02 0.00 0.00 175.26 175.27 1ykp s VAL 177 N 1.05 1.82 -1.00 2.63 1.01 -0.48 -4.81 120.40 120.62 1ykp s VAL 177 Ca -0.09 -1.48 -0.08 0.00 0.00 0.00 0.00 61.98 60.33 1ykp s VAL 177 Cb -0.13 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ykp s VAL 177 CO -0.02 -0.13 0.84 0.47 0.00 0.00 0.00 175.10 176.27 1ykp n ASP 178 N 4.55 -6.56 -4.48 3.32 8.00 -1.26 -2.24 116.55 117.88 1ykp n ASP 178 Ca -0.11 -0.66 -0.41 0.00 0.71 0.00 0.00 54.79 54.31 1ykp n ASP 178 Cb 0.43 -4.75 -0.08 0.00 -0.02 0.00 0.00 41.12 36.70 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 -1.44 -0.38 2.87 0.44 0.00 -1.26 -4.91 105.19 100.52 1ykp n GLY 179 Ca -0.07 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -7.14 0.92 -0.14 1.61 2.47 -0.95 -5.11 119.74 111.40 1ykp s LYS 180 Ca 0.78 -0.09 -0.33 0.00 -1.56 0.00 0.00 55.97 54.77 1ykp s LYS 180 Cb -0.45 -1.00 -0.10 0.00 -1.46 0.00 0.00 37.83 34.81 1ykp s LYS 180 CO 1.01 -0.15 1.99 2.41 0.16 0.00 0.00 175.35 180.77 1ykp n THR 181 N 4.43 0.51 -4.27 3.43 -1.04 -1.26 -1.38 114.28 114.69 1ykp n THR 181 Ca -0.18 -0.19 -0.21 0.00 -2.04 0.00 0.00 64.05 61.43 1ykp n THR 181 Cb 0.51 -1.99 -0.12 0.00 -1.82 0.00 0.00 70.33 66.90 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 5.25 1.70 -0.04 2.41 0.00 -0.96 -1.58 121.76 128.54 1ykp s ALA 182 Ca 0.96 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 51.67 1ykp s ALA 182 Cb -0.64 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ykp s ALA 182 CO 0.48 0.23 -0.17 0.71 0.00 0.00 0.00 175.76 177.01 1ykp s TYR 183 N -1.69 1.73 -0.20 0.00 1.51 -0.70 -1.05 117.35 116.95 1ykp s TYR 183 Ca 0.09 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 1ykp s TYR 183 Cb -0.07 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1ykp s TYR 183 CO 0.04 -0.15 0.11 0.50 -1.11 0.00 0.00 175.55 174.94 1ykp s ARG 184 N -0.02 4.10 -0.43 -0.62 3.52 0.16 -2.50 118.95 123.16 1ykp s ARG 184 Ca -0.03 -0.27 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1ykp s ARG 184 Cb -0.11 -3.36 0.12 0.00 -1.56 0.00 0.00 34.95 30.03 1ykp s ARG 184 CO 0.02 0.26 0.16 0.12 -0.81 0.00 0.00 175.30 175.05 1ykp s PHE 185 N 0.44 3.44 0.26 5.12 5.36 0.70 -2.46 117.98 130.84 1ykp s PHE 185 Ca 0.06 -3.07 -0.18 0.00 -0.96 0.00 0.00 56.93 52.78 1ykp s PHE 185 Cb -0.12 -2.85 -0.09 0.00 -0.34 0.00 0.00 43.02 39.63 1ykp s PHE 185 CO -0.01 -0.84 0.74 -0.51 -1.46 0.00 0.00 175.22 173.14 1ykp s ASP 186 N 0.31 6.96 -0.08 6.13 1.01 -1.26 -3.87 116.67 125.86 1ykp s ASP 186 Ca 0.14 1.38 0.03 0.00 0.71 0.00 0.00 52.55 54.81 1ykp s ASP 186 Cb -0.23 -2.41 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1ykp s ASP 186 CO -0.04 -0.06 -0.17 -0.63 0.21 0.00 0.00 175.17 174.48 1ykp s ILE 187 N -1.70 2.77 -0.23 0.77 1.01 0.37 -4.94 121.20 119.25 1ykp s ILE 187 Ca 0.47 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1ykp s ILE 187 Cb -0.14 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1ykp s ILE 187 CO 0.20 0.56 -0.12 -0.13 0.00 0.00 0.00 174.94 175.45 1ykp s ARG 188 N -0.13 2.73 0.11 2.79 0.52 -1.26 -0.37 118.95 123.33 1ykp s ARG 188 Ca -0.02 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.16 1ykp s ARG 188 Cb -0.14 -2.83 -0.21 0.00 0.52 0.00 0.00 34.95 32.29 1ykp s ARG 188 CO 0.04 -0.39 1.23 0.82 0.02 0.00 0.00 175.30 177.02 1ykp h ILE 189 N 6.24 1.57 -3.23 1.52 2.04 -1.81 1.32 117.51 125.17 1ykp h ILE 189 Ca -0.33 -3.10 -0.15 0.00 1.00 0.00 0.00 64.86 62.28 1ykp h ILE 189 Cb 1.10 2.82 -0.23 0.00 -0.74 0.00 0.00 36.82 39.77 1ykp h ILE 189 CO 0.56 0.90 -0.41 -1.58 0.00 0.00 0.00 178.15 177.62 1ykp s GLN 190 N -2.78 0.43 3.31 2.37 0.74 -1.26 -4.78 119.66 117.69 1ykp s GLN 190 Ca -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1ykp s GLN 190 Cb 0.09 0.19 0.00 0.00 1.10 0.00 0.00 33.01 34.39 1ykp s GLN 190 CO 0.85 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.91 1ykp n GLY 191 N 2.11 0.58 3.71 2.59 0.00 -1.26 -4.17 105.19 108.75 1ykp n GLY 191 Ca -0.18 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 4.54 -0.93 1.61 2.12 -1.26 -2.04 118.70 122.74 1ykp s GLU 192 Ca 0.00 1.33 -0.02 0.00 0.36 0.00 0.00 54.97 56.64 1ykp s GLU 192 Cb 0.00 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.94 1ykp s GLU 192 CO 0.00 -0.02 0.32 0.41 -0.54 0.00 0.00 175.26 175.42 1ykp n GLY 193 N 2.92 -0.04 3.71 -1.50 0.00 -1.26 -4.96 105.19 104.06 1ykp n GLY 193 Ca 0.05 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.14 4.13 0.54 1.61 2.12 -0.87 -4.65 118.70 116.44 1ykp s GLU 194 Ca 0.16 2.60 -0.20 0.00 0.36 0.00 0.00 54.97 57.88 1ykp s GLU 194 Cb -0.07 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1ykp s GLU 194 CO 0.20 -0.77 1.21 0.99 -0.54 0.00 0.00 175.26 176.34 1ykp s THR 195 N 1.63 2.72 0.10 -1.70 2.01 0.45 -4.95 115.64 115.91 1ykp s THR 195 Ca 0.76 0.49 -0.31 0.00 0.31 0.00 0.00 61.69 62.94 1ykp s THR 195 Cb -0.48 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 1ykp s THR 195 CO 0.33 -0.06 1.34 -0.69 -0.69 0.00 0.00 174.62 174.85 1ykp s VAL 196 N -1.55 3.48 0.15 3.82 1.01 -1.26 -4.94 120.40 121.11 1ykp s VAL 196 Ca 0.72 1.07 0.09 0.00 0.00 0.00 0.00 61.98 63.86 1ykp s VAL 196 Cb -0.31 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1ykp s VAL 196 CO 0.35 0.09 -0.14 -0.36 0.00 0.00 0.00 175.10 175.04 1ykp s PHE 197 N 1.06 2.58 0.36 5.22 0.08 -1.26 -4.67 117.98 121.35 1ykp s PHE 197 Ca 0.63 -0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.51 1ykp s PHE 197 Cb -0.35 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 1ykp s PHE 197 CO 0.30 0.46 0.30 -0.06 -0.10 0.00 0.00 175.22 176.12 1ykp s PHE 198 N -1.46 2.81 -0.02 0.36 0.08 0.10 -4.98 117.98 114.88 1ykp s PHE 198 Ca 0.22 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.90 1ykp s PHE 198 Cb -0.10 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1ykp s PHE 198 CO 0.13 0.11 -0.04 0.34 -0.10 0.00 0.00 175.22 175.65 1ykp s ASP 199 N -4.02 0.72 0.00 1.36 3.68 -1.26 -4.35 116.67 112.80 1ykp s ASP 199 Ca 0.43 -0.10 0.00 0.00 2.13 0.00 0.00 52.55 55.01 1ykp s ASP 199 Cb -0.04 -0.23 0.00 0.00 -1.45 0.00 0.00 42.92 41.20 1ykp s ASP 199 CO 0.26 0.00 0.00 2.22 0.13 0.00 0.00 175.17 177.79