#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 5.13 -0.18 4.25 -1.09 -1.26 -5.06 121.20 122.99 1ykp s ILE 2 Ca 0.00 0.84 -0.07 0.00 -2.23 0.00 0.00 60.65 59.19 1ykp s ILE 2 Cb 0.00 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1ykp s ILE 2 CO 0.00 0.17 0.06 -1.61 -1.23 0.00 0.00 174.94 172.33 1ykp s GLU 3 N 1.75 3.92 0.68 2.79 0.41 -1.26 -5.12 118.70 121.87 1ykp s GLU 3 Ca 0.21 -0.35 -0.07 0.00 -0.41 0.00 0.00 54.97 54.35 1ykp s GLU 3 Cb -0.15 -3.18 0.15 0.00 -1.78 0.00 0.00 34.13 29.16 1ykp s GLU 3 CO 0.09 0.30 0.93 1.28 -0.49 0.00 0.00 175.26 177.36 1ykp n LEU 4 N 3.45 0.00 -4.77 1.80 4.32 -1.26 -5.06 117.00 115.49 1ykp n LEU 4 Ca -0.17 -1.40 -0.35 0.00 -0.02 0.00 0.00 56.01 54.07 1ykp n LEU 4 Cb 0.52 -0.66 0.01 0.00 -1.62 0.00 0.00 43.42 41.67 1ykp n LEU 4 CO 0.35 -1.08 0.80 -0.76 -1.22 0.00 0.00 177.39 175.49 1ykp s LEU 5 N 0.00 3.73 0.37 2.23 1.43 -1.26 -4.98 118.68 120.19 1ykp s LEU 5 Ca 0.56 2.25 -0.25 0.00 -1.03 0.00 0.00 54.13 55.66 1ykp s LEU 5 Cb -0.02 -4.58 -0.10 0.00 0.03 0.00 0.00 46.19 41.52 1ykp s LEU 5 CO 0.38 -1.33 0.99 -2.84 0.23 0.00 0.00 176.35 173.79 1ykp s PRO 6 N -3.29 4.37 0.45 1.29 0.02 -1.26 -5.01 135.00 131.57 1ykp s PRO 6 Ca 0.74 1.39 -0.24 0.00 0.02 0.00 0.00 61.00 62.91 1ykp s PRO 6 Cb -0.26 -2.62 -0.08 0.00 0.02 0.00 0.00 34.50 31.56 1ykp s PRO 6 CO 0.29 0.06 1.32 -2.00 -0.33 0.00 0.00 177.00 176.34 1ykp s GLU 7 N -2.37 3.70 0.35 5.54 2.12 -1.26 -4.96 118.70 121.82 1ykp s GLU 7 Ca 0.55 2.16 -0.28 0.00 0.36 0.00 0.00 54.97 57.76 1ykp s GLU 7 Cb -0.19 -2.57 -0.12 0.00 0.26 0.00 0.00 34.13 31.50 1ykp s GLU 7 CO 0.24 -0.72 1.33 2.41 -0.54 0.00 0.00 175.26 177.99 1ykp n THR 8 N -0.28 2.00 -2.12 -1.70 -1.04 -1.26 -4.96 114.28 104.91 1ykp n THR 8 Ca 0.06 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.24 1ykp n THR 8 Cb 0.44 -1.66 0.01 0.00 -1.82 0.00 0.00 70.33 67.30 1ykp n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ykp s PRO 9 N -1.92 3.35 0.34 -2.82 0.02 -1.26 -5.03 135.00 127.67 1ykp s PRO 9 Ca 0.55 1.30 -0.21 0.00 0.02 0.00 0.00 61.00 62.66 1ykp s PRO 9 Cb -0.55 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.84 1ykp s PRO 9 CO 0.63 -0.80 0.85 0.45 -0.33 0.00 0.00 177.00 177.80 1ykp s SER 10 N -2.51 7.03 0.08 2.53 0.15 -1.26 -5.08 113.70 114.63 1ykp s SER 10 Ca 0.66 1.58 0.05 0.00 0.70 0.00 0.00 55.95 58.93 1ykp s SER 10 Cb -0.17 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 1ykp s SER 10 CO 0.33 -0.17 -0.12 -1.10 1.20 0.00 0.00 173.24 173.38 1ykp s GLN 11 N -2.61 0.83 0.85 5.44 -1.52 -1.20 -4.88 119.66 116.57 1ykp s GLN 11 Ca 0.53 -1.04 -0.13 0.00 -1.95 0.00 0.00 55.36 52.77 1ykp s GLN 11 Cb -0.13 -0.69 0.05 0.00 -0.22 0.00 0.00 33.01 32.02 1ykp s GLN 11 CO 0.18 0.14 0.81 -2.37 -0.25 0.00 0.00 175.29 173.80 1ykp n THR 12 N 0.95 1.14 0.70 -0.19 5.66 -1.16 -4.80 114.28 116.59 1ykp n THR 12 Ca -0.19 -0.22 0.13 0.00 -3.05 0.00 0.00 64.05 60.72 1ykp n THR 12 Cb 0.56 -0.90 0.46 0.00 -1.55 0.00 0.00 70.33 68.90 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 -3.30 2.23 -0.92 1.79 0.00 -1.26 -5.00 120.51 114.05 1ykp n ALA 13 Ca 0.11 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1ykp n ALA 13 Cb 0.51 -1.46 -0.05 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 1.23 -2.60 0.30 0.00 0.00 -1.26 -3.89 105.19 98.96 1ykp n GLY 14 Ca 0.06 -1.23 0.16 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.89 0.00 -0.79 1.61 0.13 -1.93 -2.95 132.00 127.18 1ykp h PRO 15 Ca -0.08 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.68 1ykp h PRO 15 Cb 0.87 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.78 1ykp h PRO 15 CO 0.04 0.03 0.40 0.66 -0.23 0.00 0.00 178.00 178.90 1ykp n TYR 16 N -3.57 2.47 0.07 1.56 4.01 -1.26 -4.62 117.16 115.82 1ykp n TYR 16 Ca -0.02 -1.64 0.16 0.00 -0.16 0.00 0.00 57.90 56.24 1ykp n TYR 16 Cb 0.13 -0.78 0.67 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.37 0.82 -0.87 -0.72 3.04 -1.63 -2.29 116.25 115.97 1ykp h VAL 17 Ca 0.46 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 66.11 1ykp h VAL 17 Cb 2.47 0.80 -0.04 0.00 -2.01 0.00 0.00 31.29 32.51 1ykp h VAL 17 CO 0.86 0.00 0.44 0.45 -1.01 0.00 0.00 177.57 178.31 1ykp h HIS 18 N 0.02 1.23 -0.26 3.17 3.86 -1.85 -0.55 115.15 120.76 1ykp h HIS 18 Ca 0.18 -0.05 0.08 0.00 -1.16 0.00 0.00 60.37 59.42 1ykp h HIS 18 Cb 0.70 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1ykp h HIS 18 CO -0.00 0.87 0.20 -0.84 0.86 0.00 0.00 177.93 179.02 1ykp h ILE 19 N 1.23 0.81 0.00 2.45 3.07 -1.63 0.84 117.51 124.27 1ykp h ILE 19 Ca 0.30 0.00 -0.32 0.00 1.55 0.00 0.00 64.86 66.39 1ykp h ILE 19 Cb 0.08 0.86 -0.06 0.00 -0.27 0.00 0.00 36.82 37.43 1ykp h ILE 19 CO -0.04 0.00 -2.05 0.61 -1.05 0.00 0.00 178.15 175.62 1ykp n GLY 20 N -1.57 -1.01 0.00 0.16 0.00 -0.43 -4.53 105.19 97.82 1ykp n GLY 20 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.88 0.37 -3.10 0.99 4.77 -0.35 -4.84 117.00 111.96 1ykp n LEU 21 Ca -0.25 -0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 55.07 1ykp n LEU 21 Cb 1.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.16 1ykp n LEU 21 CO 0.44 0.09 -0.16 0.00 -1.33 0.00 0.00 177.39 176.43 1ykp n ALA 22 N -0.21 1.53 -0.17 -1.18 0.00 0.29 -4.97 120.51 115.79 1ykp n ALA 22 Ca 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 53.44 50.44 1ykp n ALA 22 Cb 0.07 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 18.65 1ykp n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ykp h LEU 23 N 3.54 -0.17 0.06 0.00 4.07 -1.77 -1.91 115.31 119.14 1ykp h LEU 23 Ca 0.04 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 1ykp h LEU 23 Cb 0.95 0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 1ykp h LEU 23 CO 0.43 -0.06 -0.04 -0.08 -1.08 0.00 0.00 178.44 177.61 1ykp h GLU 24 N 0.15 -0.10 -0.44 1.13 4.81 -1.89 -1.75 114.58 116.48 1ykp h GLU 24 Ca 0.28 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.61 1ykp h GLU 24 Cb 0.42 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1ykp h GLU 24 CO -0.43 -0.07 0.31 0.00 -0.73 0.00 0.00 179.01 178.09 1ykp h ALA 25 N 0.83 2.21 -0.07 2.92 0.00 -1.84 0.22 119.26 123.54 1ykp h ALA 25 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ykp h ALA 25 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ykp h ALA 25 CO 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.93 1ykp n ALA 26 N -2.57 2.57 -3.61 0.00 0.00 -0.74 -4.90 120.51 111.25 1ykp n ALA 26 Ca 0.07 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 1ykp n ALA 26 Cb 0.41 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 0.91 -0.43 3.67 0.00 0.00 0.79 -4.96 105.19 105.18 1ykp n GLY 27 Ca 0.14 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.87 4.71 0.27 1.61 0.01 -0.68 -5.05 114.94 111.94 1ykp s ASN 28 Ca 0.29 -0.57 -0.30 0.00 -0.71 0.00 0.00 52.86 51.58 1ykp s ASN 28 Cb -0.13 -0.95 -0.09 0.00 0.41 0.00 0.00 41.25 40.49 1ykp s ASN 28 CO 0.76 0.00 1.09 -2.16 -1.51 0.00 0.00 177.10 175.28 1ykp s PRO 29 N -3.65 4.66 0.56 -0.60 0.04 -1.26 -4.22 135.00 130.52 1ykp s PRO 29 Ca 0.31 1.77 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 1ykp s PRO 29 Cb -0.07 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1ykp s PRO 29 CO 0.21 0.23 0.91 0.95 0.04 0.00 0.00 177.00 179.33 1ykp s THR 30 N -1.08 4.59 0.77 1.26 -4.23 -1.26 -4.87 115.64 110.82 1ykp s THR 30 Ca 0.45 0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 61.34 1ykp s THR 30 Cb -0.31 -3.79 0.16 0.00 1.34 0.00 0.00 72.50 69.90 1ykp s THR 30 CO 0.40 -0.89 1.05 0.54 -0.54 0.00 0.00 174.62 175.18 1ykp n ARG 31 N -2.52 -0.40 0.30 3.99 1.74 -1.26 -5.02 116.66 113.49 1ykp n ARG 31 Ca 0.03 -2.47 -0.17 0.00 -0.77 0.00 0.00 57.85 54.48 1ykp n ARG 31 Cb 0.55 -0.82 -0.08 0.00 -1.02 0.00 0.00 32.46 31.08 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 -0.87 -0.65 -3.54 0.55 3.32 -2.08 -3.41 116.42 109.74 1ykp h ASP 32 Ca -0.35 0.03 -0.64 0.00 0.02 0.00 0.00 57.03 56.09 1ykp h ASP 32 Cb 1.17 0.18 -0.22 0.00 0.22 0.00 0.00 39.33 40.68 1ykp h ASP 32 CO 0.33 -0.45 -0.63 -1.10 -1.72 0.00 0.00 179.24 175.67 1ykp s GLN 33 N -6.08 3.67 -0.02 3.56 -0.21 -1.26 -5.11 119.66 114.21 1ykp s GLN 33 Ca -0.17 -0.48 0.06 0.00 0.02 0.00 0.00 55.36 54.79 1ykp s GLN 33 Cb 0.04 -3.23 -0.01 0.00 1.00 0.00 0.00 33.01 30.81 1ykp s GLN 33 CO 0.63 -0.08 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.31 1ykp s GLU 34 N 1.30 1.69 -0.19 2.91 0.41 -1.26 -5.13 118.70 118.44 1ykp s GLU 34 Ca 0.05 -0.71 -0.27 0.00 -0.41 0.00 0.00 54.97 53.63 1ykp s GLU 34 Cb -0.15 -1.60 -0.01 0.00 -1.78 0.00 0.00 34.13 30.60 1ykp s GLU 34 CO 0.03 0.40 0.91 0.42 -0.49 0.00 0.00 175.26 176.53 1ykp s ILE 35 N -0.39 4.81 0.00 -1.63 1.01 -1.26 -4.98 121.20 118.76 1ykp s ILE 35 Ca 0.06 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.49 1ykp s ILE 35 Cb -0.09 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.18 1ykp s ILE 35 CO -0.00 -0.04 0.00 1.87 0.00 0.00 0.00 174.94 176.76 1ykp n TRP 36 N 5.59 0.00 -0.15 3.97 -0.00 -1.26 -4.70 117.44 120.90 1ykp n TRP 36 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.63 1ykp n TRP 36 Cb 0.48 0.00 0.27 0.00 -0.00 0.00 0.00 31.31 32.05 1ykp n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1ykp n ASN 37 N 0.00 3.91 -4.10 5.87 6.94 -1.09 -2.24 115.26 124.55 1ykp n ASN 37 Ca 0.00 -2.50 -0.35 0.00 -0.02 0.00 0.00 54.58 51.71 1ykp n ASN 37 Cb 0.00 -0.57 -0.12 0.00 -2.36 0.00 0.00 39.78 36.73 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 -2.02 1.92 0.17 -3.83 0.52 -1.26 -1.41 118.95 113.04 1ykp s ARG 38 Ca 0.36 -1.88 0.11 0.00 -0.52 0.00 0.00 55.73 53.81 1ykp s ARG 38 Cb 0.26 -3.51 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 1ykp s ARG 38 CO 0.13 -1.05 1.28 -0.07 0.02 0.00 0.00 175.30 175.61 1ykp h LEU 39 N 7.90 0.00 -8.17 2.53 4.07 -0.92 -3.45 115.31 117.27 1ykp h LEU 39 Ca -0.11 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.32 1ykp h LEU 39 Cb 1.04 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 42.46 1ykp h LEU 39 CO 0.66 0.76 -0.83 0.00 -1.08 0.00 0.00 178.44 177.96 1ykp s ALA 40 N -2.82 1.38 0.16 1.53 0.00 -1.18 -1.06 121.76 119.77 1ykp s ALA 40 Ca 0.02 -0.61 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1ykp s ALA 40 Cb 0.09 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.66 1ykp s ALA 40 CO 0.79 0.25 0.71 0.15 0.00 0.00 0.00 175.76 177.66 1ykp s LYS 41 N 0.08 4.38 0.43 0.00 1.02 0.70 -4.82 119.74 121.52 1ykp s LYS 41 Ca -0.04 0.97 0.38 0.00 0.02 0.00 0.00 55.97 57.30 1ykp s LYS 41 Cb -0.11 -3.13 1.36 0.00 -0.52 0.00 0.00 37.83 35.44 1ykp s LYS 41 CO 0.02 0.53 1.25 -2.30 -0.92 0.00 0.00 175.35 173.93 1ykp n PRO 42 N 1.32 -0.00 -1.19 -1.68 -0.02 -1.26 -1.00 135.00 131.17 1ykp n PRO 42 Ca -0.06 0.89 -0.21 0.00 -2.02 0.00 0.00 63.50 62.10 1ykp n PRO 42 Cb 0.50 -2.01 0.16 0.00 -0.02 0.00 0.00 33.50 32.13 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 -3.66 4.24 -4.85 2.55 5.75 -1.26 -4.94 116.55 114.38 1ykp n ASP 43 Ca 0.35 -3.70 -0.37 0.00 -0.01 0.00 0.00 54.79 51.07 1ykp n ASP 43 Cb 1.57 -0.80 -0.06 0.00 -1.03 0.00 0.00 41.12 40.80 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 -3.40 3.82 0.61 2.12 0.00 -0.17 -5.02 121.76 119.72 1ykp s ALA 44 Ca 0.55 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.75 1ykp s ALA 44 Cb 0.47 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1ykp s ALA 44 CO 0.06 0.53 1.01 -0.35 0.00 0.00 0.00 175.76 177.01 1ykp n PRO 45 N 2.18 0.92 0.00 0.00 -0.04 -1.26 -4.90 135.00 131.90 1ykp n PRO 45 Ca -0.18 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1ykp n PRO 45 Cb 0.54 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1ykp n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ykp n GLY 46 N 1.24 1.68 3.65 0.55 0.00 -1.26 -4.51 105.19 106.53 1ykp n GLY 46 Ca 0.14 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.05 4.09 -0.30 1.61 2.12 -1.26 -4.95 118.70 117.95 1ykp s GLU 47 Ca 0.00 1.56 -0.29 0.00 0.36 0.00 0.00 54.97 56.60 1ykp s GLU 47 Cb 0.00 -3.84 0.02 0.00 0.26 0.00 0.00 34.13 30.57 1ykp s GLU 47 CO 0.00 -0.90 1.06 -1.01 -0.54 0.00 0.00 175.26 173.87 1ykp s HIS 48 N 3.97 3.20 0.18 5.30 3.76 -1.26 -1.92 115.29 128.51 1ykp s HIS 48 Ca 0.58 1.26 0.11 0.00 -0.15 0.00 0.00 55.06 56.86 1ykp s HIS 48 Cb -0.21 -3.58 -0.04 0.00 1.11 0.00 0.00 32.58 29.86 1ykp s HIS 48 CO 0.19 -0.69 -0.24 0.96 -0.85 0.00 0.00 174.74 174.11 1ykp s ILE 49 N 3.53 2.37 -0.26 0.60 -4.36 0.51 -4.54 121.20 119.05 1ykp s ILE 49 Ca 0.45 -1.95 -0.08 0.00 -0.26 0.00 0.00 60.65 58.81 1ykp s ILE 49 Cb -0.13 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 1ykp s ILE 49 CO 0.13 -0.07 0.10 -0.22 0.24 0.00 0.00 174.94 175.12 1ykp s LEU 50 N -2.53 3.61 -0.12 0.37 2.96 -0.05 -0.96 118.68 121.95 1ykp s LEU 50 Ca 0.19 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1ykp s LEU 50 Cb -0.08 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1ykp s LEU 50 CO 0.09 -0.05 0.06 -0.76 -1.32 0.00 0.00 176.35 174.37 1ykp s LEU 51 N 1.64 3.89 -0.01 -0.68 1.43 0.18 -2.19 118.68 122.94 1ykp s LEU 51 Ca 0.06 0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1ykp s LEU 51 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1ykp s LEU 51 CO 0.05 0.34 0.15 -1.48 0.23 0.00 0.00 176.35 175.63 1ykp s LEU 52 N -0.62 1.51 0.29 1.79 -0.00 -0.85 -0.49 118.68 120.31 1ykp s LEU 52 Ca 0.11 -0.11 -0.19 0.00 -0.00 0.00 0.00 54.13 53.94 1ykp s LEU 52 Cb -0.12 0.67 0.05 0.00 -0.00 0.00 0.00 46.19 46.79 1ykp s LEU 52 CO 0.02 -0.32 0.84 -0.83 -0.00 0.00 0.00 176.35 176.06 1ykp s GLY 53 N -1.12 0.12 0.21 -3.48 0.00 -1.10 0.02 107.32 101.97 1ykp s GLY 53 Ca -0.12 -0.45 0.10 0.00 0.00 0.00 0.00 44.72 44.26 1ykp s GLY 53 CO 0.01 0.24 -0.20 1.20 0.00 0.00 0.00 173.10 174.35 1ykp s GLN 54 N -2.84 1.47 -0.21 2.90 -0.21 -1.24 -1.42 119.66 118.11 1ykp s GLN 54 Ca 0.15 -1.56 0.00 0.00 0.02 0.00 0.00 55.36 53.97 1ykp s GLN 54 Cb -0.04 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.38 1ykp s GLN 54 CO 0.08 0.32 -0.15 0.08 -2.12 0.00 0.00 175.29 173.51 1ykp s VAL 55 N -2.12 2.35 0.12 1.09 1.01 -1.26 -0.43 120.40 121.15 1ykp s VAL 55 Ca 0.22 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1ykp s VAL 55 Cb -0.06 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1ykp s VAL 55 CO 0.10 0.40 0.15 -0.31 0.00 0.00 0.00 175.10 175.44 1ykp s TYR 56 N 1.29 3.28 0.27 5.22 1.51 0.32 -0.54 117.35 128.70 1ykp s TYR 56 Ca 0.02 0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1ykp s TYR 56 Cb -0.15 -1.61 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1ykp s TYR 56 CO -0.09 0.53 0.37 -0.40 -1.11 0.00 0.00 175.55 174.84 1ykp n ASP 57 N -0.01 0.45 0.00 2.29 5.68 -0.10 -2.27 116.55 122.60 1ykp n ASP 57 Ca -0.08 -1.39 0.03 0.00 -0.50 0.00 0.00 54.79 52.85 1ykp n ASP 57 Cb 0.53 -0.24 0.12 0.00 -1.14 0.00 0.00 41.12 40.39 1ykp n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykp n GLY 58 N 2.24 -0.69 1.00 6.12 0.00 -1.25 -0.86 105.19 111.74 1ykp n GLY 58 Ca 0.06 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1ykp n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykp n ASN 59 N -1.50 3.32 0.00 1.61 3.02 -1.26 -4.81 115.26 115.64 1ykp n ASN 59 Ca 0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1ykp n ASN 59 Cb 0.06 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.18 0.46 3.91 7.41 0.00 -0.04 -5.04 105.19 113.06 1ykp n GLY 60 Ca 0.17 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 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 3.49 0.27 1.61 3.76 -1.26 -4.82 115.29 116.34 1ykp s HIS 61 Ca 0.00 0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 55.05 1ykp s HIS 61 Cb 0.00 -1.92 -0.10 0.00 1.11 0.00 0.00 32.58 31.68 1ykp s HIS 61 CO 0.00 0.45 1.26 -0.51 -0.85 0.00 0.00 174.74 175.09 1ykp s LEU 62 N -2.80 4.45 -0.42 0.89 1.43 -1.26 -0.92 118.68 120.05 1ykp s LEU 62 Ca 0.39 2.48 -0.17 0.00 -1.03 0.00 0.00 54.13 55.81 1ykp s LEU 62 Cb -0.12 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.49 1ykp s LEU 62 CO 0.26 -0.44 0.40 -0.69 0.23 0.00 0.00 176.35 176.12 1ykp s VAL 63 N -0.67 5.13 -2.68 -1.59 1.01 0.30 -4.87 120.40 117.03 1ykp s VAL 63 Ca 0.51 -0.42 0.24 0.00 0.00 0.00 0.00 61.98 62.31 1ykp s VAL 63 Cb -0.37 -4.01 0.36 0.00 0.00 0.00 0.00 36.38 32.36 1ykp s VAL 63 CO 0.45 -0.39 1.44 0.54 0.00 0.00 0.00 175.10 177.13 1ykp n ARG 64 N 5.49 2.15 -0.60 2.72 1.74 -1.26 -4.08 116.66 122.82 1ykp n ARG 64 Ca -0.08 -1.70 0.06 0.00 -0.77 0.00 0.00 57.85 55.37 1ykp n ARG 64 Cb 0.47 -1.47 0.16 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 1.00 1.67 -4.84 0.55 5.68 -1.25 -3.66 116.55 115.69 1ykp n ASP 65 Ca 0.17 -3.35 -0.30 0.00 -0.50 0.00 0.00 54.79 50.80 1ykp n ASP 65 Cb 0.51 -0.46 0.06 0.00 -1.14 0.00 0.00 41.12 40.09 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 -2.86 5.22 -0.14 -1.12 1.04 -1.25 -4.47 113.70 110.13 1ykp s SER 66 Ca 0.34 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 58.02 1ykp s SER 66 Cb 0.33 -2.18 0.05 0.00 0.10 0.00 0.00 66.02 64.32 1ykp s SER 66 CO -0.06 -1.51 0.34 0.12 0.98 0.00 0.00 173.24 173.12 1ykp s PHE 67 N -3.19 -0.44 0.01 5.02 5.36 -0.62 -2.23 117.98 121.88 1ykp s PHE 67 Ca 0.59 1.01 0.03 0.00 -0.96 0.00 0.00 56.93 57.60 1ykp s PHE 67 Cb -0.13 0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.70 1ykp s PHE 67 CO 0.54 -0.25 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.45 1ykp s LEU 68 N 0.85 2.10 -0.02 6.12 1.02 -0.63 -0.40 118.68 127.71 1ykp s LEU 68 Ca -0.05 -0.30 0.04 0.00 0.02 0.00 0.00 54.13 53.84 1ykp s LEU 68 Cb -0.06 -0.38 -0.01 0.00 0.02 0.00 0.00 46.19 45.76 1ykp s LEU 68 CO -0.06 0.01 -0.15 -1.61 0.02 0.00 0.00 176.35 174.56 1ykp s GLU 69 N -0.69 1.37 0.10 1.70 2.02 -0.68 -1.57 118.70 120.96 1ykp s GLU 69 Ca -0.00 -0.53 0.10 0.00 0.02 0.00 0.00 54.97 54.56 1ykp s GLU 69 Cb -0.05 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 1ykp s GLU 69 CO 0.00 0.26 -0.23 0.14 0.02 0.00 0.00 175.26 175.45 1ykp s VAL 70 N -0.13 2.46 -0.03 2.63 -7.23 0.30 -1.31 120.40 117.10 1ykp s VAL 70 Ca 0.01 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1ykp s VAL 70 Cb -0.08 -2.08 0.03 0.00 0.56 0.00 0.00 36.38 34.81 1ykp s VAL 70 CO 0.00 0.16 0.05 0.86 -0.31 0.00 0.00 175.10 175.87 1ykp s TRP 71 N -1.03 0.00 0.04 2.82 -0.00 -0.59 -2.04 118.94 118.14 1ykp s TRP 71 Ca 0.15 0.21 -0.27 0.00 -0.00 0.00 0.00 56.10 56.18 1ykp s TRP 71 Cb -0.10 -0.25 0.07 0.00 -0.00 0.00 0.00 33.47 33.20 1ykp s TRP 71 CO 0.06 -0.12 0.67 1.14 -0.00 0.00 0.00 176.95 178.71 1ykp s GLN 72 N 1.25 1.12 0.48 5.86 -2.07 0.64 -0.66 119.66 126.28 1ykp s GLN 72 Ca -0.07 -0.11 -0.22 0.00 -1.82 0.00 0.00 55.36 53.14 1ykp s GLN 72 Cb -0.13 0.52 -0.07 0.00 -1.09 0.00 0.00 33.01 32.25 1ykp s GLN 72 CO -0.03 -0.43 1.18 0.00 -1.32 0.00 0.00 175.29 174.68 1ykp s ALA 73 N -2.45 2.92 1.08 2.60 0.00 -1.26 -4.41 121.76 120.24 1ykp s ALA 73 Ca -0.04 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1ykp s ALA 73 Cb -0.01 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1ykp s ALA 73 CO -0.02 -0.73 0.30 -0.40 0.00 0.00 0.00 175.76 174.91 1ykp n ASP 74 N -0.64 -1.58 0.04 0.00 5.68 0.15 -4.29 116.55 115.91 1ykp n ASP 74 Ca 0.08 -0.60 0.03 0.00 -0.50 0.00 0.00 54.79 53.81 1ykp n ASP 74 Cb 0.48 -0.28 0.41 0.00 -1.14 0.00 0.00 41.12 40.59 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 -2.26 1.64 -0.29 2.12 0.00 -1.79 0.29 119.26 118.97 1ykp h ALA 75 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ykp h ALA 75 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ykp h ALA 75 CO 0.07 0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.70 1ykp n ASN 76 N -4.42 2.39 -1.84 0.00 3.02 -1.26 -3.25 115.26 109.90 1ykp n ASN 76 Ca 0.02 -2.19 -0.09 0.00 -0.03 0.00 0.00 54.58 52.28 1ykp n ASN 76 Cb 0.12 -0.39 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1ykp n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykp n GLY 77 N 0.67 0.29 3.20 7.41 0.00 -0.47 -4.86 105.19 111.44 1ykp n GLY 77 Ca 0.12 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1ykp n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ykp s GLU 78 N -5.37 1.86 -0.66 1.61 2.02 -1.26 -4.70 118.70 112.20 1ykp s GLU 78 Ca 0.20 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.21 1ykp s GLU 78 Cb -0.09 -1.69 0.04 0.00 0.10 0.00 0.00 34.13 32.49 1ykp s GLU 78 CO 0.30 0.38 1.12 0.71 0.02 0.00 0.00 175.26 177.79 1ykp s TYR 79 N -0.28 2.53 -1.02 1.61 1.51 -1.26 0.32 117.35 120.76 1ykp s TYR 79 Ca 0.03 -0.14 -0.23 0.00 -1.01 0.00 0.00 57.07 55.72 1ykp s TYR 79 Cb -0.10 -4.42 0.02 0.00 -0.11 0.00 0.00 41.96 37.35 1ykp s TYR 79 CO 0.01 -1.76 1.64 -0.65 -1.11 0.00 0.00 175.55 173.68 1ykp s GLN 80 N 4.82 3.26 0.12 -0.62 -1.52 -1.26 -4.88 119.66 119.59 1ykp s GLN 80 Ca 0.31 -0.95 -0.16 0.00 -1.95 0.00 0.00 55.36 52.62 1ykp s GLN 80 Cb -0.11 -5.28 -0.03 0.00 -0.22 0.00 0.00 33.01 27.36 1ykp s GLN 80 CO 0.16 -2.64 1.58 0.38 -0.25 0.00 0.00 175.29 174.51 1ykp h ASP 81 N 10.06 0.61 -1.88 5.90 2.03 -1.96 -2.90 116.42 128.28 1ykp h ASP 81 Ca 0.19 -0.29 -0.49 0.00 -0.73 0.00 0.00 57.03 55.72 1ykp h ASP 81 Cb 0.99 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.31 1ykp h ASP 81 CO 1.36 0.75 1.44 0.00 -1.03 0.00 0.00 179.24 181.76 1ykp s ALA 82 N -5.08 2.01 0.20 4.15 0.00 -1.26 -4.93 121.76 116.85 1ykp s ALA 82 Ca -0.13 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1ykp s ALA 82 Cb 0.09 -4.31 -0.09 0.00 0.00 0.00 0.00 23.12 18.82 1ykp s ALA 82 CO 0.78 -4.05 1.27 -0.47 0.00 0.00 0.00 175.76 173.29 1ykp s TYR 83 N 10.03 3.31 -0.23 0.00 5.04 -1.26 -4.98 117.35 129.25 1ykp s TYR 83 Ca 0.77 1.30 -0.13 0.00 -2.44 0.00 0.00 57.07 56.57 1ykp s TYR 83 Cb -0.14 -3.55 0.07 0.00 0.35 0.00 0.00 41.96 38.69 1ykp s TYR 83 CO 0.23 -1.65 0.57 1.21 -1.34 0.00 0.00 175.55 174.57 1ykp s ASN 84 N 0.23 -0.77 0.40 4.32 3.84 -1.26 -5.01 114.94 116.69 1ykp s ASN 84 Ca 0.55 1.26 0.29 0.00 0.21 0.00 0.00 52.86 55.16 1ykp s ASN 84 Cb -0.35 1.15 1.25 0.00 -0.55 0.00 0.00 41.25 42.75 1ykp s ASN 84 CO 0.38 -0.22 1.85 -0.07 -2.79 0.00 0.00 177.10 176.26 1ykp h LEU 85 N 7.08 0.00 -0.27 3.21 3.38 -1.98 -1.99 115.31 124.74 1ykp h LEU 85 Ca -0.32 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.44 1ykp h LEU 85 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ykp h LEU 85 CO 0.21 0.00 -0.83 -0.33 0.09 0.00 0.00 178.44 177.58 1ykp h GLU 86 N 0.00 0.46 -6.40 1.13 5.08 -2.00 -3.47 114.58 109.39 1ykp h GLU 86 Ca 0.00 -0.42 -0.61 0.00 -1.00 0.00 0.00 59.36 57.33 1ykp h GLU 86 Cb 0.35 0.10 0.12 0.00 0.50 0.00 0.00 28.75 29.82 1ykp h GLU 86 CO 0.00 1.07 -0.06 0.09 -1.00 0.00 0.00 179.01 179.10 1ykp n ASN 87 N -3.81 0.52 -0.09 1.42 3.02 -0.75 -4.94 115.26 110.63 1ykp n ASN 87 Ca -0.06 1.10 -0.08 0.00 -0.03 0.00 0.00 54.58 55.52 1ykp n ASN 87 Cb 0.77 -1.21 -0.01 0.00 -0.61 0.00 0.00 39.78 38.72 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 1.57 0.38 -3.57 5.41 0.00 -1.90 -3.43 119.26 117.71 1ykp h ALA 88 Ca -0.39 0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.03 1ykp h ALA 88 Cb 1.37 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.77 1ykp h ALA 88 CO 0.58 -0.22 -0.81 0.12 0.00 0.00 0.00 179.25 178.92 1ykp s PHE 89 N -6.17 1.36 -0.16 0.00 5.36 -1.26 -0.22 117.98 116.89 1ykp s PHE 89 Ca -0.13 -0.45 -0.01 0.00 -0.96 0.00 0.00 56.93 55.38 1ykp s PHE 89 Cb 0.10 -0.98 -0.01 0.00 -0.34 0.00 0.00 43.02 41.79 1ykp s PHE 89 CO 0.71 -0.22 -0.11 -0.80 -1.46 0.00 0.00 175.22 173.34 1ykp s ASN 90 N 0.49 4.06 0.08 6.13 0.01 -0.22 -4.94 114.94 120.55 1ykp s ASN 90 Ca -0.11 -0.36 0.13 0.00 -0.71 0.00 0.00 52.86 51.82 1ykp s ASN 90 Cb -0.14 -1.65 0.59 0.00 0.41 0.00 0.00 41.25 40.47 1ykp s ASN 90 CO 0.03 0.10 1.42 -1.20 -1.51 0.00 0.00 177.10 175.94 1ykp n SER 91 N 3.99 0.18 -4.53 -1.22 7.64 -1.10 -4.74 113.62 113.83 1ykp n SER 91 Ca -0.18 0.56 -0.32 0.00 1.01 0.00 0.00 58.87 59.93 1ykp n SER 91 Cb 0.52 -0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.11 2.76 0.32 1.43 5.36 -1.26 -0.26 117.98 123.22 1ykp s PHE 92 Ca 0.04 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 55.72 1ykp s PHE 92 Cb 0.07 -1.57 0.03 0.00 -0.34 0.00 0.00 43.02 41.21 1ykp s PHE 92 CO 0.22 0.30 0.70 0.20 -1.46 0.00 0.00 175.22 175.19 1ykp s GLY 93 N -1.28 0.26 -0.00 13.12 0.00 -0.86 -4.86 107.32 113.69 1ykp s GLY 93 Ca 0.15 -0.62 -0.04 0.00 0.00 0.00 0.00 44.72 44.21 1ykp s GLY 93 CO 0.05 -0.29 0.08 0.50 0.00 0.00 0.00 173.10 173.44 1ykp s ARG 94 N -3.26 0.33 0.19 2.90 0.52 -0.95 -0.54 118.95 118.14 1ykp s ARG 94 Ca 0.15 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 55.08 1ykp s ARG 94 Cb -0.05 0.13 -0.00 0.00 0.52 0.00 0.00 34.95 35.55 1ykp s ARG 94 CO 0.10 -0.07 0.22 -2.37 0.02 0.00 0.00 175.30 173.20 1ykp n THR 95 N 1.96 0.00 -3.57 0.02 5.66 -0.61 -2.67 114.28 115.06 1ykp n THR 95 Ca -0.20 -1.13 -0.16 0.00 -3.05 0.00 0.00 64.05 59.51 1ykp n THR 95 Cb 0.56 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.91 1ykp n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ykp s ALA 96 N -2.46 -1.79 -0.07 1.79 0.00 -1.26 -1.61 121.76 116.36 1ykp s ALA 96 Ca 0.18 1.64 -0.20 0.00 0.00 0.00 0.00 51.96 53.58 1ykp s ALA 96 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1ykp s ALA 96 CO 0.13 -0.35 0.57 0.95 0.00 0.00 0.00 175.76 177.06 1ykp s THR 97 N -0.51 5.07 0.44 0.00 -4.23 -0.95 -4.18 115.64 111.29 1ykp s THR 97 Ca -0.06 1.17 0.06 0.00 -1.18 0.00 0.00 61.69 61.68 1ykp s THR 97 Cb -0.02 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 1ykp s THR 97 CO 0.05 0.34 0.13 0.42 -0.54 0.00 0.00 174.62 175.02 1ykp s THR 98 N 0.41 1.95 0.32 3.99 -4.23 1.54 -3.74 115.64 115.88 1ykp s THR 98 Ca 0.31 -1.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1ykp s THR 98 Cb -0.17 -2.75 0.30 0.00 1.34 0.00 0.00 72.50 71.22 1ykp s THR 98 CO 0.14 0.00 1.87 -0.26 -0.54 0.00 0.00 174.62 175.84 1ykp h PHE 99 N 1.43 0.97 0.25 3.99 0.04 -1.95 -2.92 116.94 118.74 1ykp h PHE 99 Ca -0.43 0.03 -0.34 0.00 2.80 0.00 0.00 57.97 60.03 1ykp h PHE 99 Cb 1.27 -0.31 0.04 0.00 2.20 0.00 0.00 35.95 39.14 1ykp h PHE 99 CO 0.86 0.41 -1.50 -0.44 -0.60 0.00 0.00 178.31 177.04 1ykp h ASP 100 N 0.86 0.84 -3.62 2.17 3.32 -1.96 -3.40 116.42 114.63 1ykp h ASP 100 Ca 0.44 -0.92 -0.69 0.00 0.02 0.00 0.00 57.03 55.88 1ykp h ASP 100 Cb 0.50 -0.27 -0.36 0.00 0.22 0.00 0.00 39.33 39.41 1ykp h ASP 100 CO -0.20 1.72 -0.26 0.00 -1.72 0.00 0.00 179.24 178.78 1ykp s ALA 101 N -2.60 3.95 0.51 3.45 0.00 -1.11 -5.02 121.76 120.94 1ykp s ALA 101 Ca -0.10 -3.64 0.34 0.00 0.00 0.00 0.00 51.96 48.56 1ykp s ALA 101 Cb 0.04 -2.67 1.84 0.00 0.00 0.00 0.00 23.12 22.32 1ykp s ALA 101 CO 0.94 -2.13 2.21 0.78 0.00 0.00 0.00 175.76 177.56 1ykp h GLY 102 N 6.28 0.00 -5.30 0.00 0.00 -1.78 4.71 103.07 106.97 1ykp h GLY 102 Ca 0.09 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.76 1ykp h GLY 102 CO 0.78 0.00 -0.53 1.85 0.00 0.00 0.00 176.54 178.64 1ykp s GLU 103 N -4.27 3.27 0.26 4.80 2.12 -1.26 -4.57 118.70 119.05 1ykp s GLU 103 Ca -0.04 -0.32 0.10 0.00 0.36 0.00 0.00 54.97 55.08 1ykp s GLU 103 Cb 0.13 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1ykp s GLU 103 CO 0.52 0.71 -0.04 1.67 -0.54 0.00 0.00 175.26 177.58 1ykp s TRP 104 N -1.13 2.63 0.09 5.30 1.48 -0.51 -4.55 118.94 122.25 1ykp s TRP 104 Ca 0.20 -0.24 -0.02 0.00 -1.06 0.00 0.00 56.10 54.98 1ykp s TRP 104 Cb -0.12 -1.17 -0.03 0.00 -1.16 0.00 0.00 33.47 30.99 1ykp s TRP 104 CO 0.10 0.63 0.04 0.95 -4.06 0.00 0.00 176.95 174.62 1ykp s THR 105 N -2.31 0.16 -0.02 0.66 -4.23 -1.26 -2.72 115.64 105.91 1ykp s THR 105 Ca 0.31 -1.75 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 1ykp s THR 105 Cb -0.06 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 72.10 1ykp s THR 105 CO 0.19 -0.74 0.22 -0.76 -0.54 0.00 0.00 174.62 172.98 1ykp s LEU 106 N -2.96 1.23 -0.33 4.79 1.02 0.35 -4.80 118.68 117.99 1ykp s LEU 106 Ca 0.13 0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.35 1ykp s LEU 106 Cb 0.07 0.90 0.09 0.00 0.02 0.00 0.00 46.19 47.27 1ykp s LEU 106 CO -0.06 -0.34 0.03 -1.00 0.02 0.00 0.00 176.35 175.00 1ykp s HIS 107 N -1.05 3.61 0.00 0.29 3.76 -0.50 0.52 115.29 121.91 1ykp s HIS 107 Ca -0.11 -2.85 0.00 0.00 -0.15 0.00 0.00 55.06 51.95 1ykp s HIS 107 Cb -0.06 -2.72 0.00 0.00 1.11 0.00 0.00 32.58 30.92 1ykp s HIS 107 CO 0.02 -0.93 0.00 -2.37 -0.85 0.00 0.00 174.74 170.61 1ykp n THR 108 N 4.30 0.00 -5.06 1.30 5.66 -0.13 -0.25 114.28 120.10 1ykp n THR 108 Ca 0.01 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.72 1ykp n THR 108 Cb 0.42 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.04 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 -0.92 1.74 -0.27 1.08 -7.23 -1.26 -0.36 120.40 113.18 1ykp s VAL 109 Ca 0.00 -0.90 -0.42 0.00 -1.81 0.00 0.00 61.98 58.86 1ykp s VAL 109 Cb 0.00 -1.48 -0.17 0.00 0.56 0.00 0.00 36.38 35.29 1ykp s VAL 109 CO 0.00 0.49 1.59 1.17 -0.31 0.00 0.00 175.10 178.05 1ykp n LYS 110 N 2.99 0.73 -2.16 4.82 4.81 -0.81 -4.83 118.16 123.72 1ykp n LYS 110 Ca -0.17 0.27 -0.37 0.00 -0.87 0.00 0.00 58.31 57.17 1ykp n LYS 110 Cb 0.52 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.70 1ykp n LYS 110 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ykp s PRO 111 N 2.69 3.51 0.44 1.64 0.04 -1.26 -4.18 135.00 137.87 1ykp s PRO 111 Ca 0.98 1.82 -0.21 0.00 0.04 0.00 0.00 61.00 63.62 1ykp s PRO 111 Cb -1.19 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 30.99 1ykp s PRO 111 CO 0.67 -0.77 1.00 0.20 0.04 0.00 0.00 177.00 178.14 1ykp s GLY 112 N -1.39 2.51 -0.05 0.56 0.00 0.91 -4.72 107.32 105.14 1ykp s GLY 112 Ca 0.68 0.53 -0.38 0.00 0.00 0.00 0.00 44.72 45.55 1ykp s GLY 112 CO 0.35 0.86 1.47 -0.62 0.00 0.00 0.00 173.10 175.16 1ykp n VAL 113 N -0.61 0.11 -4.54 1.40 0.31 -1.26 -4.06 118.33 109.68 1ykp n VAL 113 Ca 0.07 -0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 1ykp n VAL 113 Cb 0.53 -0.91 -0.10 0.00 -0.91 0.00 0.00 33.84 32.44 1ykp n VAL 113 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1ykp s VAL 114 N 1.56 2.04 0.24 2.52 -7.23 -1.26 -4.49 120.40 113.79 1ykp s VAL 114 Ca 0.90 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 59.21 1ykp s VAL 114 Cb -1.02 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 32.89 1ykp s VAL 114 CO 0.54 0.00 0.04 0.20 -0.31 0.00 0.00 175.10 175.58 1ykp s ASN 115 N -3.75 4.83 1.04 4.85 -0.87 -1.26 -2.50 114.94 117.28 1ykp s ASN 115 Ca 0.36 -0.50 -0.09 0.00 -1.57 0.00 0.00 52.86 51.06 1ykp s ASN 115 Cb 0.09 -1.02 0.13 0.00 -0.02 0.00 0.00 41.25 40.43 1ykp s ASN 115 CO 0.19 0.01 0.66 -0.46 -2.57 0.00 0.00 177.10 174.93 1ykp n ASN 116 N -0.79 -0.44 0.19 -1.22 6.94 0.61 -4.85 115.26 115.69 1ykp n ASN 116 Ca -0.07 -1.13 0.03 0.00 -0.02 0.00 0.00 54.58 53.39 1ykp n ASN 116 Cb 0.58 -0.53 0.41 0.00 -2.36 0.00 0.00 39.78 37.88 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 -2.04 1.52 -0.43 -2.53 0.00 -2.00 -1.16 119.26 112.61 1ykp h ALA 117 Ca -0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ykp h ALA 117 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ykp h ALA 117 CO 0.15 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1ykp n ALA 118 N -2.49 2.80 -0.85 0.00 0.00 -1.26 -4.98 120.51 113.74 1ykp n ALA 118 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1ykp n ALA 118 Cb 0.33 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.92 0.30 3.73 0.00 0.00 -0.44 -5.02 105.19 104.69 1ykp n GLY 119 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.81 4.55 0.53 1.61 1.01 -1.26 -4.83 120.40 120.19 1ykp s VAL 120 Ca 0.00 1.97 -0.10 0.00 0.00 0.00 0.00 61.98 63.85 1ykp s VAL 120 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1ykp s VAL 120 CO 0.00 0.33 0.91 -2.16 0.00 0.00 0.00 175.10 174.18 1ykp s PRO 121 N -0.03 3.66 -0.06 2.72 0.04 -1.26 -0.29 135.00 139.78 1ykp s PRO 121 Ca 0.45 0.56 0.01 0.00 0.04 0.00 0.00 61.00 62.07 1ykp s PRO 121 Cb -0.23 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1ykp s PRO 121 CO 0.28 -0.33 -0.08 -1.64 0.04 0.00 0.00 177.00 175.27 1ykp s MET 122 N -4.68 2.69 0.48 4.56 -1.94 -1.04 -4.36 119.30 115.00 1ykp s MET 122 Ca 0.53 -0.58 -0.23 0.00 -1.71 0.00 0.00 55.69 53.69 1ykp s MET 122 Cb -0.11 -2.55 -0.07 0.00 2.01 0.00 0.00 34.83 34.12 1ykp s MET 122 CO 0.45 0.65 1.23 0.00 -0.01 0.00 0.00 175.02 177.34 1ykp s ALA 123 N -0.81 2.94 -0.38 3.03 0.00 -1.26 -3.97 121.76 121.31 1ykp s ALA 123 Ca 0.13 1.07 -0.39 0.00 0.00 0.00 0.00 51.96 52.77 1ykp s ALA 123 Cb -0.11 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 1ykp s ALA 123 CO 0.02 -0.88 2.04 -2.30 0.00 0.00 0.00 175.76 174.63 1ykp n PRO 124 N -0.61 0.78 -4.18 0.00 -0.02 -1.26 -4.89 135.00 124.81 1ykp n PRO 124 Ca 0.08 0.24 -0.18 0.00 -2.02 0.00 0.00 63.50 61.61 1ykp n PRO 124 Cb 0.47 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 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 5.84 1.21 -0.14 6.00 -3.43 -1.26 -4.17 115.29 119.34 1ykp s HIS 125 Ca 1.09 -0.45 -0.06 0.00 -0.80 0.00 0.00 55.06 54.84 1ykp s HIS 125 Cb -1.10 -0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 29.32 1ykp s HIS 125 CO 0.59 0.05 0.07 0.42 -2.00 0.00 0.00 174.74 173.87 1ykp s ILE 126 N -1.24 4.86 -0.11 -5.38 1.01 0.46 -4.65 121.20 116.16 1ykp s ILE 126 Ca -0.02 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 1ykp s ILE 126 Cb -0.10 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1ykp s ILE 126 CO 0.02 0.53 0.68 0.20 0.00 0.00 0.00 174.94 176.37 1ykp s ASN 127 N -0.28 6.90 -0.09 3.58 0.01 0.16 0.10 114.94 125.32 1ykp s ASN 127 Ca 0.09 1.09 0.02 0.00 -0.71 0.00 0.00 52.86 53.34 1ykp s ASN 127 Cb -0.12 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 1ykp s ASN 127 CO 0.01 -0.16 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.65 1ykp s ILE 128 N 1.11 2.78 -0.14 0.60 1.01 -0.42 -1.55 121.20 124.59 1ykp s ILE 128 Ca 0.35 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 1ykp s ILE 128 Cb -0.17 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1ykp s ILE 128 CO 0.15 0.55 -0.13 -0.44 0.00 0.00 0.00 174.94 175.08 1ykp s SER 129 N -0.05 3.93 -0.16 3.58 0.01 -0.42 -0.76 113.70 119.84 1ykp s SER 129 Ca -0.04 -0.37 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1ykp s SER 129 Cb -0.14 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 1ykp s SER 129 CO 0.04 0.13 -0.09 -0.22 0.41 0.00 0.00 173.24 173.51 1ykp s LEU 130 N 0.58 2.85 0.04 2.44 2.96 0.13 -1.68 118.68 125.99 1ykp s LEU 130 Ca -0.08 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1ykp s LEU 130 Cb -0.16 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1ykp s LEU 130 CO 0.03 0.11 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.57 1ykp s PHE 131 N 0.70 2.11 0.08 5.38 0.40 0.46 -2.28 117.98 124.83 1ykp s PHE 131 Ca -0.04 -0.40 -0.27 0.00 -0.60 0.00 0.00 56.93 55.62 1ykp s PHE 131 Cb -0.15 -1.27 0.09 0.00 0.51 0.00 0.00 43.02 42.19 1ykp s PHE 131 CO 0.02 0.09 1.12 0.00 0.70 0.00 0.00 175.22 177.15 1ykp s ALA 132 N -0.76 -1.92 0.18 5.36 0.00 -1.26 -1.60 121.76 121.75 1ykp s ALA 132 Ca 0.10 0.30 -0.32 0.00 0.00 0.00 0.00 51.96 52.04 1ykp s ALA 132 Cb -0.09 0.55 -0.12 0.00 0.00 0.00 0.00 23.12 23.46 1ykp s ALA 132 CO 0.02 -1.06 1.76 2.89 0.00 0.00 0.00 175.76 179.37 1ykp n ARG 133 N -0.52 2.77 0.00 0.00 1.85 -1.25 0.14 116.66 119.64 1ykp n ARG 133 Ca -0.06 1.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.79 1ykp n ARG 133 Cb 0.61 -2.86 0.00 0.00 -1.05 0.00 0.00 32.46 29.16 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 4.05 2.92 3.42 2.89 0.00 -1.26 -4.96 105.19 112.26 1ykp n GLY 134 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ykp n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykp s ILE 135 N -2.46 4.92 0.27 -0.61 1.01 0.12 -4.98 121.20 119.47 1ykp s ILE 135 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1ykp s ILE 135 Cb 0.00 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1ykp s ILE 135 CO 0.00 -0.27 1.67 0.78 0.00 0.00 0.00 174.94 177.12 1ykp h ASN 136 N 8.53 0.39 -3.63 3.58 2.35 -1.92 -3.34 115.58 121.55 1ykp h ASN 136 Ca -0.26 -0.16 -0.37 0.00 -0.55 0.00 0.00 56.30 54.95 1ykp h ASN 136 Cb 1.11 -0.11 -0.32 0.00 0.05 0.00 0.00 38.32 39.05 1ykp h ASN 136 CO 0.70 0.75 -0.76 -0.51 -1.65 0.00 0.00 177.43 175.95 1ykp s ILE 137 N -4.22 0.45 0.90 2.81 2.07 -1.26 -2.96 121.20 118.99 1ykp s ILE 137 Ca -0.06 -0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 58.94 1ykp s ILE 137 Cb 0.13 -0.46 0.13 0.00 0.13 0.00 0.00 42.46 42.39 1ykp s ILE 137 CO 0.79 0.18 1.09 0.00 -1.91 0.00 0.00 174.94 175.09 1ykp n HIS 138 N 3.67 0.72 -4.09 3.50 1.44 -1.26 -4.99 115.22 114.21 1ykp n HIS 138 Ca -0.22 0.39 -0.36 0.00 -2.01 0.00 0.00 57.72 55.52 1ykp n HIS 138 Cb 0.53 -2.00 -0.08 0.00 0.12 0.00 0.00 29.99 28.56 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 -5.90 3.95 -0.18 2.39 1.43 -0.97 -4.86 118.68 114.53 1ykp s LEU 139 Ca 0.67 0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 53.96 1ykp s LEU 139 Cb -0.24 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1ykp s LEU 139 CO 0.57 0.33 0.03 -1.00 0.23 0.00 0.00 176.35 176.51 1ykp s HIS 140 N -0.58 3.14 0.12 0.29 3.76 -1.26 0.18 115.29 120.95 1ykp s HIS 140 Ca 0.11 -0.14 -0.07 0.00 -0.15 0.00 0.00 55.06 54.82 1ykp s HIS 140 Cb -0.12 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 1ykp s HIS 140 CO 0.02 0.01 0.17 -0.08 -0.85 0.00 0.00 174.74 174.02 1ykp s THR 141 N 0.55 0.12 0.03 1.30 -1.32 0.06 0.15 115.64 116.53 1ykp s THR 141 Ca 0.01 -1.45 0.05 0.00 -1.21 0.00 0.00 61.69 59.09 1ykp s THR 141 Cb -0.13 -1.65 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 1ykp s THR 141 CO 0.02 -0.54 -0.11 -0.13 -2.21 0.00 0.00 174.62 171.65 1ykp s ARG 142 N -3.94 2.32 -0.12 7.08 0.52 -1.26 -1.30 118.95 122.25 1ykp s ARG 142 Ca 0.13 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 1ykp s ARG 142 Cb 0.05 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 1ykp s ARG 142 CO -0.05 0.57 0.22 -1.17 0.02 0.00 0.00 175.30 174.89 1ykp s LEU 143 N -1.54 4.34 0.24 2.53 0.20 0.11 -4.76 118.68 119.80 1ykp s LEU 143 Ca 0.17 0.52 0.06 0.00 0.69 0.00 0.00 54.13 55.57 1ykp s LEU 143 Cb -0.11 -2.24 -0.05 0.00 -0.43 0.00 0.00 46.19 43.36 1ykp s LEU 143 CO 0.08 0.27 -0.08 -0.31 -0.29 0.00 0.00 176.35 176.02 1ykp s TYR 144 N -0.40 1.76 -0.05 5.38 1.51 -0.37 -0.40 117.35 124.77 1ykp s TYR 144 Ca 0.16 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 1ykp s TYR 144 Cb -0.13 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 1ykp s TYR 144 CO 0.05 0.24 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.62 1ykp s PHE 145 N -3.09 2.98 0.47 2.71 0.40 -1.26 0.11 117.98 120.31 1ykp s PHE 145 Ca 0.26 0.05 0.28 0.00 -0.60 0.00 0.00 56.93 56.92 1ykp s PHE 145 Cb 0.03 -1.71 1.56 0.00 0.51 0.00 0.00 43.02 43.41 1ykp s PHE 145 CO 0.09 0.38 2.13 0.38 0.70 0.00 0.00 175.22 178.90 1ykp h ASP 146 N 5.03 0.00 -0.36 1.36 2.03 -0.99 -2.80 116.42 120.70 1ykp h ASP 146 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1ykp h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1ykp h ASP 146 CO 0.53 0.08 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 1ykp n ASP 147 N -3.72 3.24 -1.48 4.15 5.75 -1.26 -3.66 116.55 119.57 1ykp n ASP 147 Ca -0.02 -2.36 -0.13 0.00 -0.01 0.00 0.00 54.79 52.27 1ykp n ASP 147 Cb 0.19 -0.50 0.11 0.00 -1.03 0.00 0.00 41.12 39.88 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 0.49 2.71 -0.28 0.11 -0.58 -1.05 -4.85 120.64 117.18 1ykp n GLU 148 Ca 0.15 -3.73 0.25 0.00 -0.42 0.00 0.00 57.16 53.41 1ykp n GLU 148 Cb 0.65 -2.01 0.59 0.00 -0.57 0.00 0.00 31.44 30.10 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 1.65 2.49 -0.00 0.62 0.00 -1.77 0.82 119.26 123.07 1ykp h ALA 149 Ca 0.25 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1ykp h ALA 149 Cb 1.34 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ykp h ALA 149 CO 0.52 -0.84 -0.39 1.96 0.00 0.00 0.00 179.25 180.50 1ykp h GLN 150 N 0.26 0.27 -0.63 0.00 4.20 -1.93 -1.20 115.11 116.08 1ykp h GLN 150 Ca 0.54 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.99 1ykp h GLN 150 Cb 1.61 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.43 1ykp h GLN 150 CO -0.17 1.00 0.38 0.00 -0.67 0.00 0.00 178.83 179.36 1ykp h ALA 151 N 0.28 0.82 -0.80 3.87 0.00 -1.40 -2.84 119.26 119.20 1ykp h ALA 151 Ca -0.05 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1ykp h ALA 151 Cb 1.13 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1ykp h ALA 151 CO 0.08 0.11 0.52 -0.91 0.00 0.00 0.00 179.25 179.05 1ykp h ASN 152 N 0.74 0.59 0.15 0.00 2.35 -0.94 0.15 115.58 118.61 1ykp h ASN 152 Ca 0.26 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1ykp h ASN 152 Cb 0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1ykp h ASN 152 CO -0.12 0.33 -0.22 0.00 -1.65 0.00 0.00 177.43 175.77 1ykp h ALA 153 N 1.61 1.47 -0.00 -0.83 0.00 -0.96 -3.15 119.26 117.40 1ykp h ALA 153 Ca 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ykp h ALA 153 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ykp h ALA 153 CO -0.15 0.38 -0.69 1.63 0.00 0.00 0.00 179.25 180.42 1ykp n LYS 154 N -4.22 0.13 -1.71 0.00 4.76 0.36 -4.92 118.16 112.56 1ykp n LYS 154 Ca -0.01 -0.09 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 1ykp n LYS 154 Cb 0.32 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 1ykp n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ykp h PRO 156 N 7.87 0.00 0.00 0.00 0.13 -1.93 -1.38 132.00 136.70 1ykp h PRO 156 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1ykp h PRO 156 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1ykp h PRO 156 CO 0.95 0.00 -0.72 0.28 -0.23 0.00 0.00 178.00 178.29 1ykp h VAL 157 N 0.00 1.27 0.00 1.56 2.07 -1.95 -3.05 116.25 116.15 1ykp h VAL 157 Ca 0.00 -2.23 -0.01 0.00 0.82 0.00 0.00 66.70 65.28 1ykp h VAL 157 Cb 0.34 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1ykp h VAL 157 CO 0.00 0.43 -0.05 0.25 0.02 0.00 0.00 177.57 178.22 1ykp h LEU 158 N -1.00 0.00 -0.02 2.57 5.85 -1.88 -0.57 115.31 120.26 1ykp h LEU 158 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ykp h LEU 158 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1ykp h LEU 158 CO -0.12 0.05 -0.19 0.59 -0.34 0.00 0.00 178.44 178.43 1ykp n ASN 159 N -3.36 0.22 0.00 1.25 3.02 -0.53 -2.83 115.26 113.03 1ykp n ASN 159 Ca -0.02 0.13 0.14 0.00 -0.03 0.00 0.00 54.58 54.79 1ykp n ASN 159 Cb 0.19 -0.19 0.73 0.00 -0.61 0.00 0.00 39.78 39.89 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 -1.45 0.00 -4.50 3.41 4.77 -0.22 -4.61 117.00 114.40 1ykp n LEU 160 Ca 0.07 0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 1ykp n LEU 160 Cb 0.33 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1ykp n LEU 160 CO 0.29 -0.02 0.35 -0.63 -1.33 0.00 0.00 177.39 176.05 1ykp s ILE 161 N -2.41 4.85 0.21 -0.08 1.01 -1.13 -4.99 121.20 118.66 1ykp s ILE 161 Ca 0.30 -0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.73 1ykp s ILE 161 Cb 0.19 -4.22 0.24 0.00 0.01 0.00 0.00 42.46 38.67 1ykp s ILE 161 CO 0.39 -0.64 1.60 -0.33 0.00 0.00 0.00 174.94 175.96 1ykp h GLU 162 N 8.90 -0.05 -5.55 2.79 5.08 -1.90 -3.41 114.58 120.45 1ykp h GLU 162 Ca -0.26 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.50 1ykp h GLU 162 Cb 1.10 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 1ykp h GLU 162 CO 0.90 -0.03 0.17 -0.65 -1.00 0.00 0.00 179.01 178.41 1ykp s GLN 163 N -6.16 4.13 0.41 2.33 -1.52 -1.26 -4.99 119.66 112.60 1ykp s GLN 163 Ca -0.14 0.58 0.13 0.00 -1.95 0.00 0.00 55.36 53.98 1ykp s GLN 163 Cb 0.20 -3.64 0.88 0.00 -0.22 0.00 0.00 33.01 30.23 1ykp s GLN 163 CO 0.73 -0.39 1.93 -1.35 -0.25 0.00 0.00 175.29 175.96 1ykp h PRO 164 N 7.81 0.04 -0.22 2.91 0.11 -1.99 -2.15 132.00 138.51 1ykp h PRO 164 Ca -0.27 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.89 1ykp h PRO 164 Cb 1.12 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ykp h PRO 164 CO 0.78 0.27 0.18 1.96 -0.21 0.00 0.00 178.00 180.98 1ykp h GLN 165 N 0.04 0.00 0.08 1.05 7.50 -1.97 -2.07 115.11 119.74 1ykp h GLN 165 Ca 0.01 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.91 1ykp h GLN 165 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 1ykp h GLN 165 CO 0.03 0.00 -1.14 0.00 -1.50 0.00 0.00 178.83 176.22 1ykp h ARG 166 N 0.00 0.19 -0.02 1.46 3.08 -1.79 -3.09 114.38 114.22 1ykp h ARG 166 Ca 0.10 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1ykp h ARG 166 Cb 0.47 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1ykp h ARG 166 CO -0.00 1.13 0.01 0.00 -1.07 0.00 0.00 179.97 180.05 1ykp h ARG 167 N 0.06 0.01 -0.57 0.04 3.08 -1.29 -1.99 114.38 113.73 1ykp h ARG 167 Ca -0.09 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1ykp h ARG 167 Cb 1.87 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.88 1ykp h ARG 167 CO 0.18 0.01 0.38 0.93 -1.07 0.00 0.00 179.97 180.39 1ykp h GLU 168 N 0.01 0.58 0.00 0.04 5.08 -1.44 -0.40 114.58 118.45 1ykp h GLU 168 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ykp h GLU 168 Cb 0.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1ykp h GLU 168 CO -0.00 0.38 0.00 1.79 -1.00 0.00 0.00 179.01 180.18 1ykp h THR 169 N 0.60 0.00 -0.31 1.13 1.35 -1.49 0.29 112.91 114.48 1ykp h THR 169 Ca 0.24 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1ykp h THR 169 Cb 0.18 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1ykp h THR 169 CO -0.07 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.38 1ykp n LEU 170 N -2.33 2.31 -4.46 3.87 4.77 -0.16 -4.71 117.00 116.30 1ykp n LEU 170 Ca -0.00 -1.04 -0.38 0.00 -0.03 0.00 0.00 56.01 54.56 1ykp n LEU 170 Cb 0.12 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 1ykp n LEU 170 CO 0.15 0.52 -0.24 -0.63 -1.33 0.00 0.00 177.39 175.86 1ykp s ILE 171 N -1.60 4.54 0.01 -0.08 1.01 0.09 -1.24 121.20 123.94 1ykp s ILE 171 Ca 0.33 -0.26 -0.25 0.00 0.00 0.00 0.00 60.65 60.48 1ykp s ILE 171 Cb 0.18 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 1ykp s ILE 171 CO 0.26 0.20 0.75 0.00 0.00 0.00 0.00 174.94 176.15 1ykp s ALA 172 N 1.63 3.35 -0.38 9.38 0.00 0.31 -4.84 121.76 131.21 1ykp s ALA 172 Ca 0.06 0.25 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 1ykp s ALA 172 Cb -0.16 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1ykp s ALA 172 CO 0.06 0.01 1.00 0.15 0.00 0.00 0.00 175.76 176.98 1ykp s LYS 173 N 0.20 3.85 0.19 0.00 1.02 -0.92 -0.31 119.74 123.78 1ykp s LYS 173 Ca 0.39 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 1ykp s LYS 173 Cb -0.20 -3.81 -0.09 0.00 -0.52 0.00 0.00 37.83 33.21 1ykp s LYS 173 CO 0.22 -1.03 1.31 0.50 -0.92 0.00 0.00 175.35 175.43 1ykp s ARG 174 N 3.71 4.38 0.18 1.68 3.52 -1.26 -0.50 118.95 130.66 1ykp s ARG 174 Ca 0.41 2.05 -0.04 0.00 -0.13 0.00 0.00 55.73 58.03 1ykp s ARG 174 Cb -0.11 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1ykp s ARG 174 CO 0.21 -0.26 0.30 0.00 -0.81 0.00 0.00 175.30 174.74 1ykp s GLU 176 N -2.25 0.84 -0.26 0.00 2.02 -1.26 -3.06 118.70 114.73 1ykp s GLU 176 Ca 0.12 -1.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 1ykp s GLU 176 Cb -0.01 -0.73 0.08 0.00 0.10 0.00 0.00 34.13 33.57 1ykp s GLU 176 CO 0.09 0.15 0.07 0.08 0.02 0.00 0.00 175.26 175.66 1ykp s VAL 177 N -1.72 0.69 -1.10 2.63 1.01 -0.73 -4.80 120.40 116.37 1ykp s VAL 177 Ca 0.01 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1ykp s VAL 177 Cb -0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1ykp s VAL 177 CO 0.02 -0.48 0.89 0.47 0.00 0.00 0.00 175.10 176.00 1ykp n ASP 178 N 4.95 -5.52 -1.26 3.32 8.00 -1.26 -2.71 116.55 122.07 1ykp n ASP 178 Ca -0.05 -0.77 -0.02 0.00 0.71 0.00 0.00 54.79 54.66 1ykp n ASP 178 Cb 0.44 -4.76 -0.01 0.00 -0.02 0.00 0.00 41.12 36.77 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 -1.33 0.07 3.65 0.44 0.00 -1.26 -4.91 105.19 101.85 1ykp n GLY 179 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.57 4.02 0.14 1.61 2.47 -1.10 -5.09 119.74 119.22 1ykp s LYS 180 Ca 0.00 -0.31 -0.31 0.00 -1.56 0.00 0.00 55.97 53.78 1ykp s LYS 180 Cb 0.00 -3.28 -0.10 0.00 -1.46 0.00 0.00 37.83 32.99 1ykp s LYS 180 CO 0.00 0.26 1.64 0.99 0.16 0.00 0.00 175.35 178.40 1ykp s THR 181 N 0.43 2.66 0.13 3.43 2.01 -1.26 -1.78 115.64 121.25 1ykp s THR 181 Ca 0.04 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1ykp s THR 181 Cb -0.12 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1ykp s THR 181 CO -0.00 0.02 -0.12 0.00 -0.69 0.00 0.00 174.62 173.82 1ykp s ALA 182 N 1.72 1.43 -0.02 7.40 0.00 -1.17 -0.87 121.76 130.26 1ykp s ALA 182 Ca 0.73 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1ykp s ALA 182 Cb -0.44 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1ykp s ALA 182 CO 0.32 0.03 -0.06 0.71 0.00 0.00 0.00 175.76 176.77 1ykp s TYR 183 N -2.46 0.66 -0.23 0.00 1.51 -0.93 -2.53 117.35 113.37 1ykp s TYR 183 Ca 0.10 -0.15 -0.06 0.00 -1.01 0.00 0.00 57.07 55.96 1ykp s TYR 183 Cb -0.03 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 1ykp s TYR 183 CO 0.02 -0.08 0.02 0.50 -1.11 0.00 0.00 175.55 174.90 1ykp s ARG 184 N 0.24 3.57 -0.34 -0.62 3.52 0.34 -2.01 118.95 123.65 1ykp s ARG 184 Ca -0.03 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.02 1ykp s ARG 184 Cb -0.07 -3.16 0.07 0.00 -1.56 0.00 0.00 34.95 30.22 1ykp s ARG 184 CO -0.00 -0.13 0.08 0.12 -0.81 0.00 0.00 175.30 174.56 1ykp s PHE 185 N 1.38 3.37 -0.21 5.12 5.36 0.10 -2.17 117.98 130.93 1ykp s PHE 185 Ca 0.05 -1.99 -0.11 0.00 -0.96 0.00 0.00 56.93 53.93 1ykp s PHE 185 Cb -0.15 -2.48 -0.05 0.00 -0.34 0.00 0.00 43.02 40.00 1ykp s PHE 185 CO 0.01 -0.85 0.16 -0.51 -1.46 0.00 0.00 175.22 172.57 1ykp s ASP 186 N 1.44 6.21 -0.28 6.13 1.01 -1.26 -3.73 116.67 126.19 1ykp s ASP 186 Ca -0.00 0.23 -0.13 0.00 0.71 0.00 0.00 52.55 53.36 1ykp s ASP 186 Cb -0.21 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 1ykp s ASP 186 CO -0.02 0.14 0.26 -0.63 0.21 0.00 0.00 175.17 175.14 1ykp s ILE 187 N 0.55 5.26 -0.25 0.77 1.01 0.43 -4.95 121.20 124.02 1ykp s ILE 187 Ca 0.09 0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 1ykp s ILE 187 Cb -0.12 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1ykp s ILE 187 CO 0.00 0.20 0.14 -0.13 0.00 0.00 0.00 174.94 175.16 1ykp s ARG 188 N 1.87 3.95 0.01 2.79 0.52 -1.26 -0.53 118.95 126.31 1ykp s ARG 188 Ca 0.10 -0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1ykp s ARG 188 Cb -0.16 -3.51 -0.27 0.00 0.52 0.00 0.00 34.95 31.53 1ykp s ARG 188 CO 0.11 -0.04 0.88 0.82 0.02 0.00 0.00 175.30 177.09 1ykp h ILE 189 N 5.21 1.18 -3.78 1.52 2.04 -1.76 0.68 117.51 122.60 1ykp h ILE 189 Ca -0.37 -2.84 -0.13 0.00 1.00 0.00 0.00 64.86 62.52 1ykp h ILE 189 Cb 1.18 2.74 -0.18 0.00 -0.74 0.00 0.00 36.82 39.82 1ykp h ILE 189 CO 0.61 0.81 -0.53 -1.58 0.00 0.00 0.00 178.15 177.46 1ykp s GLN 190 N -2.62 0.56 0.00 2.37 0.74 -1.26 -4.78 119.66 114.67 1ykp s GLN 190 Ca -0.08 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.63 1ykp s GLN 190 Cb 0.07 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.40 1ykp s GLN 190 CO 0.85 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.86 1ykp n GLY 191 N 0.90 0.14 3.67 2.59 0.00 -1.26 -3.95 105.19 107.28 1ykp n GLY 191 Ca -0.20 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 4.30 -0.01 1.61 2.12 -1.26 -3.05 118.70 122.41 1ykp s GLU 192 Ca 0.00 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1ykp s GLU 192 Cb 0.00 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1ykp s GLU 192 CO 0.00 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 1ykp n GLY 193 N 3.39 0.37 3.65 -1.50 0.00 -1.26 -4.97 105.19 104.88 1ykp n GLY 193 Ca 0.12 -0.98 -0.48 0.00 0.00 0.00 0.00 46.02 44.68 1ykp n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ykp n GLU 194 N -1.85 1.82 -1.85 1.61 2.13 -1.17 -4.65 120.64 116.68 1ykp n GLU 194 Ca -0.00 0.66 -0.37 0.00 0.66 0.00 0.00 57.16 58.11 1ykp n GLU 194 Cb 0.29 -2.40 0.05 0.00 0.27 0.00 0.00 31.44 29.65 1ykp n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ykp s THR 195 N 1.26 2.26 0.32 6.31 2.01 0.23 -4.93 115.64 123.09 1ykp s THR 195 Ca 0.83 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.73 1ykp s THR 195 Cb -0.78 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1ykp s THR 195 CO 0.43 -0.03 1.00 -0.69 -0.69 0.00 0.00 174.62 174.65 1ykp s VAL 196 N -1.43 3.92 0.05 3.82 1.01 -1.26 -4.94 120.40 121.56 1ykp s VAL 196 Ca 0.78 1.69 0.08 0.00 0.00 0.00 0.00 61.98 64.53 1ykp s VAL 196 Cb -0.36 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1ykp s VAL 196 CO 0.39 0.22 -0.22 -0.36 0.00 0.00 0.00 175.10 175.13 1ykp s PHE 197 N -1.45 1.95 0.33 5.22 0.08 -1.26 -4.67 117.98 118.18 1ykp s PHE 197 Ca 0.49 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.23 1ykp s PHE 197 Cb -0.24 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.03 1ykp s PHE 197 CO 0.30 0.11 0.33 -0.06 -0.10 0.00 0.00 175.22 175.80 1ykp s PHE 198 N -0.82 2.96 0.01 0.36 0.08 0.12 -5.00 117.98 115.70 1ykp s PHE 198 Ca 0.09 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 56.92 1ykp s PHE 198 Cb -0.09 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1ykp s PHE 198 CO 0.02 0.15 -0.17 0.34 -0.10 0.00 0.00 175.22 175.46 1ykp s ASP 199 N -4.03 2.00 0.00 1.36 3.68 -1.26 -4.07 116.67 114.35 1ykp s ASP 199 Ca 0.42 -0.40 0.00 0.00 2.13 0.00 0.00 52.55 54.70 1ykp s ASP 199 Cb -0.07 -0.19 0.00 0.00 -1.45 0.00 0.00 42.92 41.22 1ykp s ASP 199 CO 0.28 0.15 0.00 2.22 0.13 0.00 0.00 175.17 177.95