#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 s ALA 2 N 0.00 3.25 -0.25 4.61 0.00 -1.26 -5.06 121.76 123.05 2k46 s ALA 2 Ca 0.00 -3.46 -0.23 0.00 0.00 0.00 0.00 51.96 48.27 2k46 s ALA 2 Cb 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 23.12 21.13 2k46 s ALA 2 CO 0.00 -2.07 0.67 1.41 0.00 0.00 0.00 175.76 175.77 2k46 s MET 3 N -0.95 0.77 -0.25 0.00 1.75 -1.26 -5.05 119.30 114.31 2k46 s MET 3 Ca 0.25 0.95 -0.02 0.00 -1.25 0.00 0.00 55.69 55.62 2k46 s MET 3 Cb -0.07 0.36 0.01 0.00 2.84 0.00 0.00 34.83 37.97 2k46 s MET 3 CO -0.14 -0.10 0.05 0.45 -0.65 0.00 0.00 175.02 174.63 2k46 n SER 4 N 2.85 -6.40 0.00 1.11 2.88 -1.26 -5.02 113.62 107.77 2k46 n SER 4 Ca -0.14 1.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2k46 n SER 4 Cb 0.56 -4.84 0.00 0.00 -0.75 0.00 0.00 64.21 59.17 2k46 n SER 4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k46 n GLY 5 N 1.02 1.33 0.27 0.46 0.00 -1.26 -5.00 105.19 102.02 2k46 n GLY 5 Ca -0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2k46 n GLY 5 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k46 h LEU 6 N 0.00 0.95 -2.25 0.99 5.85 -1.87 -2.50 115.31 116.48 2k46 h LEU 6 Ca 0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2k46 h LEU 6 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2k46 h LEU 6 CO 0.00 1.16 0.24 0.00 -0.34 0.00 0.00 178.44 179.50 2k46 h ALA 7 N 0.90 1.24 0.00 1.25 0.00 -1.75 0.03 119.26 120.92 2k46 h ALA 7 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k46 h ALA 7 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k46 h ALA 7 CO 0.07 -0.24 -0.00 -0.44 0.00 0.00 0.00 179.25 178.64 2k46 h ASP 8 N 0.00 0.00 0.00 0.00 5.19 -1.80 -3.23 116.42 116.58 2k46 h ASP 8 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 2k46 h ASP 8 Cb 0.48 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.94 2k46 h ASP 8 CO 0.00 0.00 -2.10 0.29 -3.12 0.00 0.00 179.24 174.32 2k46 n LYS 9 N -3.10 1.15 -1.34 3.56 4.76 -0.03 -5.01 118.16 118.16 2k46 n LYS 9 Ca 0.02 -0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.01 2k46 n LYS 9 Cb 0.37 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2k46 n LYS 9 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2k46 n VAL 10 N -2.54 0.96 0.00 -0.18 3.14 -1.07 -3.01 118.33 115.63 2k46 n VAL 10 Ca -0.23 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 2k46 n VAL 10 Cb 0.95 -0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.56 2k46 n VAL 10 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2k46 n ILE 11 N -1.07 0.00 -3.64 1.55 -5.35 -1.17 -4.85 119.36 104.83 2k46 n ILE 11 Ca 0.11 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.53 2k46 n ILE 11 Cb 0.41 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.24 2k46 n ILE 11 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2k46 s TRP 12 N -0.30 -0.26 -0.12 4.28 -0.00 -1.13 -5.09 118.94 116.32 2k46 s TRP 12 Ca 0.00 0.64 -0.26 0.00 -0.00 0.00 0.00 56.10 56.48 2k46 s TRP 12 Cb 0.00 0.42 0.06 0.00 -0.00 0.00 0.00 33.47 33.95 2k46 s TRP 12 CO 0.00 -0.13 0.63 0.00 -0.00 0.00 0.00 176.95 177.45 2k46 s ALA 13 N 0.16 -1.59 -0.12 5.86 0.00 -1.26 -0.91 121.76 123.89 2k46 s ALA 13 Ca 0.05 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.37 2k46 s ALA 13 Cb -0.05 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.71 2k46 s ALA 13 CO -0.11 -0.33 0.26 0.08 0.00 0.00 0.00 175.76 175.66 2k46 s VAL 14 N -0.60 -0.17 -0.45 0.00 1.01 -0.11 -2.82 120.40 117.27 2k46 s VAL 14 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2k46 s VAL 14 Cb -0.02 -0.42 0.12 0.00 0.00 0.00 0.00 36.38 36.06 2k46 s VAL 14 CO 0.06 0.08 0.22 0.21 0.00 0.00 0.00 175.10 175.66 2k46 s ASN 15 N 1.65 5.04 -0.41 3.32 3.84 -1.26 0.58 114.94 127.70 2k46 s ASN 15 Ca -0.06 -2.32 -0.28 0.00 0.21 0.00 0.00 52.86 50.41 2k46 s ASN 15 Cb -0.11 -1.77 -0.01 0.00 -0.55 0.00 0.00 41.25 38.81 2k46 s ASN 15 CO -0.09 -0.44 1.76 0.00 -2.79 0.00 0.00 177.10 175.54 2k46 s ALA 16 N 0.70 2.71 0.00 1.71 0.00 0.23 -3.99 121.76 123.12 2k46 s ALA 16 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2k46 s ALA 16 Cb -0.22 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2k46 s ALA 16 CO -0.04 -2.92 0.00 0.41 0.00 0.00 0.00 175.76 173.20 2k46 n GLY 17 N 5.44 -1.37 0.00 0.00 0.00 -1.23 -2.99 105.19 105.04 2k46 n GLY 17 Ca 0.21 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.73 2k46 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k46 n GLY 18 N 0.00 0.76 3.46 -0.02 0.00 -1.26 -3.79 105.19 104.35 2k46 n GLY 18 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2k46 n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 19 N 0.99 0.35 -0.09 1.61 2.12 -1.26 -4.08 118.70 118.34 2k46 s GLU 19 Ca 0.00 0.87 -0.03 0.00 0.36 0.00 0.00 54.97 56.17 2k46 s GLU 19 Cb 0.00 0.50 0.01 0.00 0.26 0.00 0.00 34.13 34.90 2k46 s GLU 19 CO 0.00 -0.12 0.06 0.43 -0.54 0.00 0.00 175.26 175.09 2k46 n SER 20 N 4.98 -5.76 -4.16 -1.70 7.64 0.36 -4.97 113.62 110.01 2k46 n SER 20 Ca -0.10 0.98 -0.26 0.00 1.01 0.00 0.00 58.87 60.50 2k46 n SER 20 Cb 0.52 -2.99 -0.16 0.00 -1.01 0.00 0.00 64.21 60.57 2k46 n SER 20 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k46 s HIS 21 N -0.66 1.75 -0.45 1.43 2.46 -0.95 -4.89 115.29 113.98 2k46 s HIS 21 Ca -0.07 -0.44 -0.09 0.00 0.47 0.00 0.00 55.06 54.94 2k46 s HIS 21 Cb 0.00 -1.15 0.11 0.00 -0.13 0.00 0.00 32.58 31.41 2k46 s HIS 21 CO 0.31 -0.12 0.30 0.08 -2.47 0.00 0.00 174.74 172.84 2k46 s VAL 22 N -0.16 4.12 0.76 0.89 1.01 -1.26 -0.37 120.40 125.39 2k46 s VAL 22 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 61.98 60.17 2k46 s VAL 22 Cb -0.10 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.67 2k46 s VAL 22 CO 0.01 -0.68 1.12 -0.62 0.00 0.00 0.00 175.10 174.93 2k46 s ASP 23 N 2.42 4.34 0.19 3.32 2.15 0.80 -4.81 116.67 125.09 2k46 s ASP 23 Ca 0.05 2.01 -0.23 0.00 0.43 0.00 0.00 52.55 54.81 2k46 s ASP 23 Cb -0.25 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 39.92 2k46 s ASP 23 CO -0.00 -2.15 1.56 0.58 -0.17 0.00 0.00 175.17 174.99 2k46 h VAL 24 N -0.83 0.07 -0.12 1.11 2.07 -1.94 1.04 116.25 117.65 2k46 h VAL 24 Ca -0.45 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2k46 h VAL 24 Cb 1.25 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2k46 h VAL 24 CO 0.50 0.00 0.25 0.45 0.02 0.00 0.00 177.57 178.79 2k46 h HIS 25 N -0.13 0.00 0.00 1.57 3.86 -1.99 -3.44 115.15 115.02 2k46 h HIS 25 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2k46 h HIS 25 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2k46 h HIS 25 CO -0.78 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.42 2k46 n GLY 26 N -1.30 1.40 3.59 2.45 0.00 0.36 -4.03 105.19 107.65 2k46 n GLY 26 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2k46 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k46 s ILE 27 N -2.00 4.82 -0.16 -0.61 -1.09 -1.12 -4.32 121.20 116.72 2k46 s ILE 27 Ca 0.00 -0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 2k46 s ILE 27 Cb 0.00 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 2k46 s ILE 27 CO 0.00 0.39 0.01 -2.28 -1.23 0.00 0.00 174.94 171.83 2k46 s HIS 28 N 0.95 3.15 -0.10 3.97 5.65 -1.25 -0.14 115.29 127.52 2k46 s HIS 28 Ca 0.05 -0.06 -0.06 0.00 0.25 0.00 0.00 55.06 55.24 2k46 s HIS 28 Cb -0.14 -1.99 -0.04 0.00 -1.18 0.00 0.00 32.58 29.24 2k46 s HIS 28 CO 0.03 0.12 0.13 -0.47 -0.65 0.00 0.00 174.74 173.90 2k46 s TYR 29 N 0.19 3.54 0.00 3.88 5.04 0.50 -4.22 117.35 126.27 2k46 s TYR 29 Ca 0.01 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 2k46 s TYR 29 Cb -0.13 -1.91 0.00 0.00 0.35 0.00 0.00 41.96 40.27 2k46 s TYR 29 CO 0.02 0.70 0.00 0.54 -1.34 0.00 0.00 175.55 175.46 2k46 n ARG 30 N 1.86 2.43 -3.41 4.97 1.74 -1.13 -2.24 116.66 120.89 2k46 n ARG 30 Ca -0.19 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.72 2k46 n ARG 30 Cb 0.55 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.89 2k46 n ARG 30 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2k46 s LYS 31 N 0.00 0.32 -0.65 5.56 3.01 -1.26 0.14 119.74 126.85 2k46 s LYS 31 Ca 0.00 -0.16 -0.01 0.00 -1.01 0.00 0.00 55.97 54.79 2k46 s LYS 31 Cb 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 37.83 36.14 2k46 s LYS 31 CO 0.00 -1.03 0.47 -3.47 0.51 0.00 0.00 175.35 171.83 2k46 n ASP 32 N 5.31 -3.72 -1.99 2.83 2.03 -1.26 -4.86 116.55 114.89 2k46 n ASP 32 Ca -0.02 -0.78 -0.07 0.00 0.52 0.00 0.00 54.79 54.44 2k46 n ASP 32 Cb 0.46 -1.24 0.29 0.00 -0.72 0.00 0.00 41.12 39.91 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k46 n PRO 33 N -2.22 3.59 0.06 -0.67 -0.04 -1.26 -3.82 135.00 130.63 2k46 n PRO 33 Ca -0.25 -2.94 0.00 0.00 -0.04 0.00 0.00 63.50 60.26 2k46 n PRO 33 Cb 0.54 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2k46 n PRO 33 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2k46 n LEU 34 N -0.16 -0.23 -4.56 1.53 7.94 -1.26 -4.79 117.00 115.48 2k46 n LEU 34 Ca 0.40 0.20 -0.31 0.00 -1.11 0.00 0.00 56.01 55.20 2k46 n LEU 34 Cb 1.37 0.33 -0.04 0.00 0.53 0.00 0.00 43.42 45.61 2k46 n LEU 34 CO 0.43 -0.57 1.50 -1.61 -1.11 0.00 0.00 177.39 176.04 2k46 s GLU 35 N -1.37 2.42 0.00 1.96 0.41 -1.26 -3.07 118.70 117.79 2k46 s GLU 35 Ca 0.00 0.31 0.00 0.00 -0.41 0.00 0.00 54.97 54.87 2k46 s GLU 35 Cb 0.00 -4.73 0.00 0.00 -1.78 0.00 0.00 34.13 27.62 2k46 s GLU 35 CO 0.00 -3.25 0.00 0.41 -0.49 0.00 0.00 175.26 171.93 2k46 n GLY 36 N 6.33 2.67 2.04 -1.39 0.00 -1.26 -4.28 105.19 109.30 2k46 n GLY 36 Ca 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 2k46 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 37 N -1.46 -2.04 -3.76 1.61 1.74 -1.18 -4.87 116.66 106.71 2k46 n ARG 37 Ca 0.00 0.28 -0.13 0.00 -0.77 0.00 0.00 57.85 57.23 2k46 n ARG 37 Cb 0.00 -4.65 -0.10 0.00 -1.02 0.00 0.00 32.46 26.70 2k46 n ARG 37 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k46 s VAL 38 N -1.94 0.03 0.00 1.55 0.11 -1.25 -4.86 120.40 114.04 2k46 s VAL 38 Ca 0.00 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2k46 s VAL 38 Cb 0.00 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 2k46 s VAL 38 CO 0.00 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 2k46 n GLY 39 N 1.95 -0.73 0.37 6.54 0.00 -1.26 -5.08 105.19 106.99 2k46 n GLY 39 Ca -0.18 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 2k46 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 n ARG 40 N 0.00 1.09 -0.61 1.61 1.74 -1.26 -4.95 116.66 114.28 2k46 n ARG 40 Ca 0.00 -0.38 -0.31 0.00 -0.77 0.00 0.00 57.85 56.39 2k46 n ARG 40 Cb 0.00 0.19 0.20 0.00 -1.02 0.00 0.00 32.46 31.83 2k46 n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k46 n ALA 41 N -2.79 -3.20 -2.41 7.54 0.00 -1.26 -4.98 120.51 113.41 2k46 n ALA 41 Ca -0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 53.44 52.31 2k46 n ALA 41 Cb 0.07 -1.80 0.01 0.00 0.00 0.00 0.00 19.45 17.73 2k46 n ALA 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k46 n SER 42 N -3.12 0.03 -4.51 0.00 7.64 -1.25 -5.07 113.62 107.34 2k46 n SER 42 Ca 0.03 -2.04 -0.28 0.00 1.01 0.00 0.00 58.87 57.60 2k46 n SER 42 Cb 0.57 0.03 -0.18 0.00 -1.01 0.00 0.00 64.21 63.62 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2k46 n ASP 43 N -0.16 -0.34 -0.00 6.43 5.75 -1.26 -4.65 116.55 122.32 2k46 n ASP 43 Ca -0.09 -0.42 -0.01 0.00 -0.01 0.00 0.00 54.79 54.26 2k46 n ASP 43 Cb 0.90 -0.84 -0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2k46 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k46 n TYR 44 N 9.14 0.00 -0.04 2.11 9.36 -1.26 -4.70 117.16 131.77 2k46 n TYR 44 Ca 0.63 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.77 2k46 n TYR 44 Cb 0.16 -0.05 0.04 0.00 -0.63 0.00 0.00 39.34 38.86 2k46 n TYR 44 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k46 n GLY 45 N 2.72 3.00 0.00 2.98 0.00 -1.26 -4.38 105.19 108.26 2k46 n GLY 45 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.58 2k46 n GLY 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2k46 n MET 46 N 0.29 0.02 -0.72 1.61 0.00 -1.26 -4.76 117.12 112.30 2k46 n MET 46 Ca 0.18 0.38 -0.32 0.00 0.00 0.00 0.00 57.70 57.94 2k46 n MET 46 Cb 0.74 -1.50 0.15 0.00 0.00 0.00 0.00 33.22 32.61 2k46 n MET 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2k46 n LYS 47 N -1.44 -0.85 -2.52 2.12 4.81 -1.26 -4.26 118.16 114.76 2k46 n LYS 47 Ca 0.01 -0.21 -0.03 0.00 -0.87 0.00 0.00 58.31 57.21 2k46 n LYS 47 Cb 0.04 -1.91 0.02 0.00 0.02 0.00 0.00 35.03 33.19 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k46 n LEU 48 N -2.11 -4.76 -4.67 3.14 4.77 -1.26 -4.91 117.00 107.19 2k46 n LEU 48 Ca 0.05 -0.19 -0.47 0.00 -0.03 0.00 0.00 56.01 55.37 2k46 n LEU 48 Cb 0.56 -2.37 -0.05 0.00 -2.33 0.00 0.00 43.42 39.24 2k46 n LEU 48 CO 0.51 -0.44 1.34 -2.65 -1.33 0.00 0.00 177.39 174.82 2k46 n PRO 49 N -1.87 2.12 -1.67 3.23 -0.02 -1.26 -4.86 135.00 130.67 2k46 n PRO 49 Ca -0.02 0.77 -0.48 0.00 -2.02 0.00 0.00 63.50 61.76 2k46 n PRO 49 Cb 0.53 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 2k46 n PRO 49 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k46 n ILE 50 N 4.29 0.31 -0.03 4.25 -0.00 -1.26 -4.90 119.36 122.02 2k46 n ILE 50 Ca 0.20 -0.05 -0.15 0.00 -0.00 0.00 0.00 62.75 62.74 2k46 n ILE 50 Cb 0.29 -1.67 -0.12 0.00 -0.00 0.00 0.00 39.64 38.13 2k46 n ILE 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2k46 h LEU 51 N 7.59 0.20 -1.61 1.39 4.07 -1.89 -3.32 115.31 121.74 2k46 h LEU 51 Ca -0.47 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 56.66 2k46 h LEU 51 Cb 1.27 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2k46 h LEU 51 CO 0.92 1.01 0.00 0.54 -1.08 0.00 0.00 178.44 179.83 2k46 n ARG 52 N -4.49 0.50 -3.82 1.13 3.00 -1.26 -4.71 116.66 107.01 2k46 n ARG 52 Ca -0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.64 2k46 n ARG 52 Cb 0.53 -1.25 -0.08 0.00 0.00 0.00 0.00 32.46 31.66 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k46 s SER 53 N 0.42 0.02 0.48 0.55 0.15 -1.25 -4.90 113.70 109.17 2k46 s SER 53 Ca 0.00 -0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.01 2k46 s SER 53 Cb 0.00 0.33 -0.07 0.00 -1.71 0.00 0.00 66.02 64.56 2k46 s SER 53 CO 0.00 -0.64 1.10 0.21 1.20 0.00 0.00 173.24 175.11 2k46 s ASN 54 N -2.37 6.19 0.22 5.45 2.47 -1.26 -4.70 114.94 120.94 2k46 s ASN 54 Ca -0.01 2.13 -0.19 0.00 0.42 0.00 0.00 52.86 55.21 2k46 s ASN 54 Cb 0.01 -2.58 0.21 0.00 -1.45 0.00 0.00 41.25 37.44 2k46 s ASN 54 CO -0.07 -0.90 1.55 -0.65 -3.72 0.00 0.00 177.10 173.32 2k46 h PRO 55 N 1.77 -0.01 0.71 0.43 0.11 -1.96 1.77 132.00 134.83 2k46 h PRO 55 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2k46 h PRO 55 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 2k46 h PRO 55 CO 0.59 -0.00 -0.34 0.93 -0.21 0.00 0.00 178.00 178.97 2k46 h GLU 56 N -0.01 -0.92 0.00 1.05 4.39 -1.97 -1.99 114.58 115.14 2k46 h GLU 56 Ca 0.33 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.09 2k46 h GLU 56 Cb 0.58 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2k46 h GLU 56 CO -0.98 -0.59 0.00 -3.47 -1.16 0.00 0.00 179.01 172.81 2k46 n ASP 57 N -5.46 0.00 -0.11 1.42 2.03 -0.83 -0.75 116.55 112.85 2k46 n ASP 57 Ca -0.13 0.17 -0.13 0.00 0.52 0.00 0.00 54.79 55.22 2k46 n ASP 57 Cb 0.39 -0.33 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2k46 n ASP 57 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2k46 h GLN 58 N 0.00 0.73 0.57 -0.67 4.15 0.34 0.25 115.11 120.49 2k46 h GLN 58 Ca 0.00 -0.36 -0.02 0.00 0.77 0.00 0.00 58.65 59.04 2k46 h GLN 58 Cb 0.15 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2k46 h GLN 58 CO 0.00 0.98 -0.39 0.28 -1.93 0.00 0.00 178.83 177.77 2k46 h VAL 59 N 0.50 0.21 0.40 2.39 2.07 -0.69 0.24 116.25 121.37 2k46 h VAL 59 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2k46 h VAL 59 Cb 0.81 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2k46 h VAL 59 CO 0.06 0.00 -0.46 0.25 0.02 0.00 0.00 177.57 177.44 2k46 h LEU 60 N -0.92 -1.30 -0.99 2.57 6.46 -1.48 0.13 115.31 119.78 2k46 h LEU 60 Ca -0.07 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2k46 h LEU 60 Cb 0.76 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2k46 h LEU 60 CO 0.04 -0.59 0.27 1.88 -0.62 0.00 0.00 178.44 179.42 2k46 h TYR 61 N -0.88 0.00 0.00 1.25 -1.99 -0.45 -3.41 116.97 111.49 2k46 h TYR 61 Ca -0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.68 2k46 h TYR 61 Cb 0.78 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.51 2k46 h TYR 61 CO -0.27 0.00 0.00 0.94 -0.00 0.00 0.00 178.16 178.83 2k46 n GLN 62 N -2.12 0.00 -1.23 4.88 7.27 0.83 -4.72 117.38 122.30 2k46 n GLN 62 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 2k46 n GLN 62 Cb 0.30 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.95 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2k46 n THR 63 N 0.00 0.00 -3.97 1.69 -2.24 -0.86 -4.58 114.28 104.32 2k46 n THR 63 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2k46 n THR 63 Cb 0.00 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 2k46 n THR 63 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2k46 s GLU 64 N -0.09 3.30 0.00 -0.78 -1.05 -1.26 -3.51 118.70 115.31 2k46 s GLU 64 Ca 0.00 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2k46 s GLU 64 Cb 0.00 -3.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.68 2k46 s GLU 64 CO 0.00 0.66 0.00 -2.13 0.95 0.00 0.00 175.26 174.74 2k46 n ARG 65 N 0.95 3.44 -2.57 -4.83 3.00 -1.16 -4.28 116.66 111.21 2k46 n ARG 65 Ca -0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.61 2k46 n ARG 65 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.00 2k46 n ARG 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2k46 n TYR 66 N 0.00 -1.56 -4.12 -0.14 4.01 -1.26 -4.95 117.16 109.14 2k46 n TYR 66 Ca 0.00 -1.28 -0.08 0.00 -0.16 0.00 0.00 57.90 56.38 2k46 n TYR 66 Cb 0.00 -0.28 -0.10 0.00 -0.31 0.00 0.00 39.34 38.65 2k46 n TYR 66 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2k46 s ASN 67 N -2.91 0.70 0.00 7.72 2.20 -1.26 -4.91 114.94 116.49 2k46 s ASN 67 Ca 0.24 -1.00 0.00 0.00 -0.94 0.00 0.00 52.86 51.15 2k46 s ASN 67 Cb -0.02 0.17 0.00 0.00 -2.00 0.00 0.00 41.25 39.40 2k46 s ASN 67 CO 0.15 -0.56 0.00 1.21 -2.94 0.00 0.00 177.10 174.96 2k46 n GLU 68 N 0.06 0.00 -3.46 3.55 2.13 -1.26 -5.03 120.64 116.63 2k46 n GLU 68 Ca -0.13 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.70 2k46 n GLU 68 Cb 0.61 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.27 2k46 n GLU 68 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2k46 s ASP 69 N 1.73 -0.29 -0.12 4.31 2.15 -1.26 -4.63 116.67 118.56 2k46 s ASP 69 Ca 0.00 0.43 -0.04 0.00 0.43 0.00 0.00 52.55 53.37 2k46 s ASP 69 Cb 0.00 1.24 0.02 0.00 -0.30 0.00 0.00 42.92 43.88 2k46 s ASP 69 CO 0.00 -0.06 0.09 -0.24 -0.17 0.00 0.00 175.17 174.78 2k46 n SER 70 N 4.09 -5.04 -3.68 -0.34 2.88 -1.26 -5.01 113.62 105.26 2k46 n SER 70 Ca -0.13 1.09 -0.05 0.00 -1.33 0.00 0.00 58.87 58.45 2k46 n SER 70 Cb 0.55 -3.51 -0.02 0.00 -0.75 0.00 0.00 64.21 60.49 2k46 n SER 70 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k46 s PHE 71 N -0.69 -0.20 0.00 0.66 -0.71 -1.11 -5.02 117.98 110.91 2k46 s PHE 71 Ca -0.10 -0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 55.71 2k46 s PHE 71 Cb 0.01 0.61 0.01 0.00 -1.21 0.00 0.00 43.02 42.44 2k46 s PHE 71 CO 0.41 -0.77 0.07 0.41 -1.34 0.00 0.00 175.22 174.01 2k46 n GLY 72 N -0.41 0.82 3.82 1.99 0.00 -1.26 -2.64 105.19 107.51 2k46 n GLY 72 Ca -0.07 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 2k46 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k46 s TYR 73 N -3.89 2.69 -0.04 1.61 1.51 -0.99 -4.95 117.35 113.28 2k46 s TYR 73 Ca 0.02 -0.51 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 2k46 s TYR 73 Cb -0.00 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2k46 s TYR 73 CO 0.00 0.01 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.73 2k46 s ASP 74 N -4.04 2.57 -0.50 2.29 1.11 -1.26 -2.30 116.67 114.53 2k46 s ASP 74 Ca 0.45 -0.42 0.03 0.00 0.18 0.00 0.00 52.55 52.80 2k46 s ASP 74 Cb -0.01 -0.59 0.15 0.00 1.07 0.00 0.00 42.92 43.54 2k46 s ASP 74 CO 0.26 0.22 0.31 -0.63 1.18 0.00 0.00 175.17 176.50 2k46 s ILE 75 N -0.19 1.79 0.16 0.77 1.09 0.95 -4.92 121.20 120.85 2k46 s ILE 75 Ca -0.00 -3.05 -0.34 0.00 -1.10 0.00 0.00 60.65 56.16 2k46 s ILE 75 Cb -0.11 -2.23 -0.14 0.00 -1.06 0.00 0.00 42.46 38.92 2k46 s ILE 75 CO 0.02 -0.94 1.53 -2.65 -0.10 0.00 0.00 174.94 172.80 2k46 n PRO 76 N 3.07 2.02 -4.26 2.79 -0.02 -1.26 -0.47 135.00 136.87 2k46 n PRO 76 Ca 0.13 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 62.11 2k46 n PRO 76 Cb 0.36 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.24 2k46 n PRO 76 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k46 s ILE 77 N 0.78 1.57 0.00 4.25 1.01 -1.15 -4.90 121.20 122.76 2k46 s ILE 77 Ca 0.79 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2k46 s ILE 77 Cb -0.71 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.30 2k46 s ILE 77 CO 0.40 -0.12 0.03 0.29 0.00 0.00 0.00 174.94 175.54 2k46 n LYS 78 N 1.08 0.00 -4.49 2.79 5.02 -1.26 -4.84 118.16 116.46 2k46 n LYS 78 Ca -0.19 -0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 55.83 2k46 n LYS 78 Cb 0.54 -0.43 -0.11 0.00 -0.02 0.00 0.00 35.03 35.01 2k46 n LYS 78 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k46 s GLU 79 N 0.00 1.73 0.38 1.97 2.02 -1.26 -5.16 118.70 118.38 2k46 s GLU 79 Ca 0.00 -1.97 0.05 0.00 0.02 0.00 0.00 54.97 53.07 2k46 s GLU 79 Cb 0.00 -1.05 -0.06 0.00 0.10 0.00 0.00 34.13 33.11 2k46 s GLU 79 CO 0.00 -0.16 0.04 -1.21 0.02 0.00 0.00 175.26 173.95 2k46 s GLU 80 N -3.85 1.85 0.00 1.61 8.01 -1.26 -5.02 118.70 120.04 2k46 s GLU 80 Ca 0.36 -2.06 0.00 0.00 0.01 0.00 0.00 54.97 53.28 2k46 s GLU 80 Cb 0.09 -1.24 0.00 0.00 -4.31 0.00 0.00 34.13 28.67 2k46 s GLU 80 CO 0.16 -0.16 0.00 0.41 0.01 0.00 0.00 175.26 175.68 2k46 n GLY 81 N -0.87 0.81 3.46 -1.39 0.00 -0.64 -4.87 105.19 101.68 2k46 n GLY 81 Ca -0.05 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 2k46 n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 82 N -1.74 3.06 -0.20 1.61 2.02 -1.14 -1.76 118.70 120.55 2k46 s GLU 82 Ca 0.00 -0.93 -0.15 0.00 0.02 0.00 0.00 54.97 53.91 2k46 s GLU 82 Cb 0.00 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 2k46 s GLU 82 CO 0.00 -0.93 0.34 0.71 0.02 0.00 0.00 175.26 175.40 2k46 s TYR 83 N 2.06 3.39 -0.28 1.61 1.51 -0.51 -0.03 117.35 125.10 2k46 s TYR 83 Ca 0.10 0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 56.68 2k46 s TYR 83 Cb -0.19 -2.44 0.03 0.00 -0.11 0.00 0.00 41.96 39.24 2k46 s TYR 83 CO 0.12 0.06 0.00 0.08 -1.11 0.00 0.00 175.55 174.70 2k46 s VAL 84 N 1.06 3.28 -0.52 0.71 1.01 -1.02 -0.16 120.40 124.76 2k46 s VAL 84 Ca 0.17 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 2k46 s VAL 84 Cb -0.14 -2.73 0.07 0.00 0.00 0.00 0.00 36.38 33.59 2k46 s VAL 84 CO 0.06 0.08 0.59 -0.22 0.00 0.00 0.00 175.10 175.62 2k46 s LEU 85 N 1.37 5.23 -0.18 3.92 0.20 -1.09 -2.68 118.68 125.46 2k46 s LEU 85 Ca -0.00 -1.14 -0.04 0.00 0.69 0.00 0.00 54.13 53.64 2k46 s LEU 85 Cb -0.18 -2.36 -0.02 0.00 -0.43 0.00 0.00 46.19 43.21 2k46 s LEU 85 CO -0.01 -0.89 -0.04 -0.69 -0.29 0.00 0.00 176.35 174.43 2k46 s VAL 86 N 2.41 3.69 0.00 1.68 1.01 -0.66 -2.25 120.40 126.28 2k46 s VAL 86 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2k46 s VAL 86 Cb -0.22 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2k46 s VAL 86 CO 0.09 0.46 -0.06 -1.48 0.00 0.00 0.00 175.10 174.11 2k46 s LEU 87 N 0.81 2.04 -0.21 3.92 0.05 -1.12 -1.27 118.68 122.89 2k46 s LEU 87 Ca -0.01 -0.15 -0.06 0.00 0.05 0.00 0.00 54.13 53.95 2k46 s LEU 87 Cb -0.15 -0.28 -0.03 0.00 -2.05 0.00 0.00 46.19 43.69 2k46 s LEU 87 CO 0.02 0.04 0.03 -0.75 -0.55 0.00 0.00 176.35 175.13 2k46 s LYS 88 N -0.30 3.68 -0.05 1.48 2.36 -1.17 -2.25 119.74 123.49 2k46 s LYS 88 Ca 0.01 -0.48 -0.01 0.00 -2.55 0.00 0.00 55.97 52.93 2k46 s LYS 88 Cb -0.03 -3.16 -0.04 0.00 -1.05 0.00 0.00 37.83 33.55 2k46 s LYS 88 CO -0.00 0.00 0.04 -0.06 1.55 0.00 0.00 175.35 176.88 2k46 s PHE 89 N 1.06 3.22 0.03 4.03 0.08 0.07 -0.89 117.98 125.58 2k46 s PHE 89 Ca 0.03 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.30 2k46 s PHE 89 Cb -0.14 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2k46 s PHE 89 CO 0.02 0.52 -0.05 0.00 -0.10 0.00 0.00 175.22 175.61 2k46 s ALA 90 N -1.02 0.33 -0.03 5.36 0.00 -1.14 -2.59 121.76 122.67 2k46 s ALA 90 Ca 0.17 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 2k46 s ALA 90 Cb -0.12 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.14 2k46 s ALA 90 CO 0.07 -0.10 0.04 -2.00 0.00 0.00 0.00 175.76 173.77 2k46 s GLU 91 N -1.58 -0.02 -0.38 0.00 2.12 -1.26 -2.41 118.70 115.17 2k46 s GLU 91 Ca -0.13 0.26 0.11 0.00 0.36 0.00 0.00 54.97 55.58 2k46 s GLU 91 Cb -0.10 -0.40 0.34 0.00 0.26 0.00 0.00 34.13 34.24 2k46 s GLU 91 CO -0.01 -0.24 0.76 1.33 -0.54 0.00 0.00 175.26 176.57 2k46 n VAL 92 N 4.70 -0.18 0.00 3.70 0.24 -1.26 -4.36 118.33 121.17 2k46 n VAL 92 Ca -0.16 -4.21 0.00 0.00 -2.04 0.00 0.00 64.34 57.93 2k46 n VAL 92 Cb 0.50 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 2k46 n VAL 92 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2k46 n TYR 93 N 0.35 0.00 -4.32 6.34 4.01 -1.26 -4.97 117.16 117.32 2k46 n TYR 93 Ca 0.23 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.80 2k46 n TYR 93 Cb 0.66 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.58 2k46 n TYR 93 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2k46 s PHE 94 N -1.00 1.52 -0.30 -0.72 0.08 -1.26 -5.14 117.98 111.17 2k46 s PHE 94 Ca 0.00 -1.14 -0.03 0.00 0.12 0.00 0.00 56.93 55.88 2k46 s PHE 94 Cb 0.00 -0.89 0.10 0.00 -0.57 0.00 0.00 43.02 41.66 2k46 s PHE 94 CO 0.00 -0.29 0.14 0.00 -0.10 0.00 0.00 175.22 174.97 2k46 s ALA 95 N -3.70 0.69 -0.26 5.36 0.00 -1.26 -5.04 121.76 117.55 2k46 s ALA 95 Ca 0.36 -1.20 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 2k46 s ALA 95 Cb 0.08 -1.42 0.08 0.00 0.00 0.00 0.00 23.12 21.85 2k46 s ALA 95 CO 0.12 -1.70 0.76 1.14 0.00 0.00 0.00 175.76 176.09 2k46 s GLN 96 N 1.96 0.80 0.09 0.00 -2.07 -1.26 -5.17 119.66 114.01 2k46 s GLN 96 Ca 0.10 0.89 0.04 0.00 -1.82 0.00 0.00 55.36 54.58 2k46 s GLN 96 Cb -0.17 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 2k46 s GLN 96 CO -0.32 -0.11 0.04 -1.12 -1.32 0.00 0.00 175.29 172.46 2k46 s SER 97 N 0.26 5.26 -1.69 12.60 0.01 -1.26 -4.50 113.70 124.38 2k46 s SER 97 Ca -0.00 -0.11 -0.18 0.00 1.31 0.00 0.00 55.95 56.96 2k46 s SER 97 Cb -0.05 -1.33 0.16 0.00 0.21 0.00 0.00 66.02 65.01 2k46 s SER 97 CO 0.00 0.16 0.81 1.67 0.41 0.00 0.00 173.24 176.30 2k46 n GLN 98 N 0.44 -3.35 0.00 12.44 -0.06 -1.26 -4.73 117.38 120.86 2k46 n GLN 98 Ca -0.10 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 2k46 n GLN 98 Cb 0.52 -5.14 0.00 0.00 -4.06 0.00 0.00 30.24 21.56 2k46 n GLN 98 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2k46 n GLN 99 N -4.40 0.00 -3.26 3.69 6.02 -1.26 -4.95 117.38 113.22 2k46 n GLN 99 Ca 0.08 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.61 2k46 n GLN 99 Cb 0.49 -0.25 -0.01 0.00 1.02 0.00 0.00 30.24 31.49 2k46 n GLN 99 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2k46 s LYS 100 N -1.89 3.80 0.01 -1.09 1.02 -1.26 -4.91 119.74 115.42 2k46 s LYS 100 Ca 0.00 -2.59 0.02 0.00 0.02 0.00 0.00 55.97 53.43 2k46 s LYS 100 Cb 0.00 -4.56 -0.04 0.00 -0.52 0.00 0.00 37.83 32.71 2k46 s LYS 100 CO 0.00 -1.37 -0.02 0.14 -0.92 0.00 0.00 175.35 173.18 2k46 s VAL 101 N 0.18 3.97 0.41 3.17 -7.23 -1.26 -4.14 120.40 115.50 2k46 s VAL 101 Ca 0.25 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.77 2k46 s VAL 101 Cb -0.09 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 2k46 s VAL 101 CO -0.08 0.36 0.14 -0.36 -0.31 0.00 0.00 175.10 174.85 2k46 s PHE 102 N -1.07 1.78 -0.02 2.82 0.08 -0.68 -3.73 117.98 117.16 2k46 s PHE 102 Ca 0.19 -1.32 0.07 0.00 0.12 0.00 0.00 56.93 55.99 2k46 s PHE 102 Cb -0.11 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2k46 s PHE 102 CO 0.10 -0.34 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.14 2k46 s ASP 103 N -3.61 2.74 -0.03 1.36 1.11 -1.09 0.91 116.67 118.06 2k46 s ASP 103 Ca 0.24 -0.42 0.01 0.00 0.18 0.00 0.00 52.55 52.55 2k46 s ASP 103 Cb 0.02 -0.34 0.02 0.00 1.07 0.00 0.00 42.92 43.69 2k46 s ASP 103 CO 0.15 0.28 -0.04 -0.69 1.18 0.00 0.00 175.17 176.05 2k46 s VAL 104 N -0.51 0.47 0.10 -1.27 1.01 -0.66 -2.20 120.40 117.34 2k46 s VAL 104 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2k46 s VAL 104 Cb -0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2k46 s VAL 104 CO -0.01 0.19 -0.09 -0.13 0.00 0.00 0.00 175.10 175.07 2k46 s ARG 105 N 0.68 0.84 -0.17 2.72 0.52 -0.43 -1.48 118.95 121.63 2k46 s ARG 105 Ca -0.09 -1.20 0.01 0.00 -0.52 0.00 0.00 55.73 53.93 2k46 s ARG 105 Cb -0.12 -0.45 0.02 0.00 0.52 0.00 0.00 34.95 34.93 2k46 s ARG 105 CO -0.00 0.06 -0.17 0.14 0.02 0.00 0.00 175.30 175.35 2k46 s VAL 106 N -2.72 1.83 -1.59 3.52 -7.23 0.62 -2.15 120.40 112.68 2k46 s VAL 106 Ca 0.07 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2k46 s VAL 106 Cb -0.01 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.22 2k46 s VAL 106 CO -0.01 0.46 0.00 -3.20 -0.31 0.00 0.00 175.10 172.04 2k46 n ASN 107 N 4.68 -4.84 0.00 4.85 2.85 0.17 -0.56 115.26 122.41 2k46 n ASN 107 Ca -0.19 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2k46 n ASN 107 Cb 0.49 -4.16 0.00 0.00 1.24 0.00 0.00 39.78 37.35 2k46 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k46 n GLY 108 N -0.70 0.75 3.12 8.20 0.00 -1.22 -4.82 105.19 110.53 2k46 n GLY 108 Ca -0.19 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 2k46 n GLY 108 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 109 N -2.00 3.17 0.15 1.61 3.76 0.27 -5.02 115.29 117.23 2k46 s HIS 109 Ca 0.00 -2.00 -0.31 0.00 -0.15 0.00 0.00 55.06 52.60 2k46 s HIS 109 Cb 0.00 -2.00 -0.10 0.00 1.11 0.00 0.00 32.58 31.59 2k46 s HIS 109 CO 0.00 -0.83 1.71 0.95 -0.85 0.00 0.00 174.74 175.73 2k46 s THR 110 N 1.20 2.47 0.00 1.30 -4.23 -1.26 -0.28 115.64 114.85 2k46 s THR 110 Ca -0.05 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2k46 s THR 110 Cb -0.19 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2k46 s THR 110 CO -0.05 0.01 0.00 0.52 -0.54 0.00 0.00 174.62 174.56 2k46 n VAL 111 N 4.34 0.00 -3.63 2.29 0.31 -0.55 -4.92 118.33 116.17 2k46 n VAL 111 Ca 0.16 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.20 2k46 n VAL 111 Cb 0.38 -0.72 -0.13 0.00 -0.91 0.00 0.00 33.84 32.46 2k46 n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2k46 s VAL 112 N -1.82 0.99 -0.45 2.52 1.01 -1.15 -5.06 120.40 116.44 2k46 s VAL 112 Ca 0.00 -2.25 -0.08 0.00 0.00 0.00 0.00 61.98 59.64 2k46 s VAL 112 Cb 0.00 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.79 2k46 s VAL 112 CO 0.00 -0.92 0.31 -1.59 0.00 0.00 0.00 175.10 172.90 2k46 s LYS 113 N 0.62 2.45 0.00 2.72 -2.85 -1.26 -1.65 119.74 119.76 2k46 s LYS 113 Ca 0.18 -1.72 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 2k46 s LYS 113 Cb -0.24 -3.86 0.00 0.00 -2.06 0.00 0.00 37.83 31.67 2k46 s LYS 113 CO 0.00 -1.14 0.00 -0.25 0.10 0.00 0.00 175.35 174.06 2k46 n ASP 114 N 4.87 0.00 -4.54 0.03 8.00 0.26 -4.98 116.55 120.19 2k46 n ASP 114 Ca -0.08 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.13 2k46 n ASP 114 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2k46 n LEU 115 N 0.00 1.71 -4.18 0.64 7.94 0.58 -4.22 117.00 119.48 2k46 n LEU 115 Ca 0.00 -0.71 -0.40 0.00 -1.11 0.00 0.00 56.01 53.80 2k46 n LEU 115 Cb 0.00 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.41 2k46 n LEU 115 CO 0.00 -1.77 0.13 -0.62 -1.11 0.00 0.00 177.39 174.02 2k46 s ASP 116 N 10.80 5.72 0.39 1.96 -1.08 -1.26 -1.69 116.67 131.52 2k46 s ASP 116 Ca 1.03 -2.63 0.15 0.00 -0.52 0.00 0.00 52.55 50.59 2k46 s ASP 116 Cb -0.33 -1.97 1.01 0.00 -1.46 0.00 0.00 42.92 40.17 2k46 s ASP 116 CO 0.26 -0.48 1.84 0.40 0.52 0.00 0.00 175.17 177.70 2k46 h ILE 117 N 5.33 0.69 0.26 4.11 2.04 -1.90 -0.69 117.51 127.34 2k46 h ILE 117 Ca -0.02 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2k46 h ILE 117 Cb 1.00 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2k46 h ILE 117 CO 0.75 0.09 -0.12 0.15 0.00 0.00 0.00 178.15 179.01 2k46 h PHE 118 N 0.48 -0.32 0.00 1.37 3.57 -1.82 -2.81 116.94 117.41 2k46 h PHE 118 Ca 0.49 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.92 2k46 h PHE 118 Cb 1.11 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2k46 h PHE 118 CO -0.00 0.05 -0.29 0.22 -2.23 0.00 0.00 178.31 176.06 2k46 h ASP 119 N -0.80 0.00 0.31 0.41 1.82 -1.71 0.21 116.42 116.65 2k46 h ASP 119 Ca -0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 2k46 h ASP 119 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 2k46 h ASP 119 CO 0.06 0.29 -0.15 0.03 -1.61 0.00 0.00 179.24 177.86 2k46 h ARG 120 N 0.00 -0.40 0.02 0.28 2.47 -1.17 -3.40 114.38 112.18 2k46 h ARG 120 Ca -0.00 0.03 -0.37 0.00 -1.26 0.00 0.00 59.98 58.38 2k46 h ARG 120 Cb 0.62 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.97 2k46 h ARG 120 CO 0.04 -0.16 -2.29 1.55 0.56 0.00 0.00 179.97 179.67 2k46 n VAL 121 N -5.05 1.51 0.00 2.04 3.14 -1.06 -5.10 118.33 113.80 2k46 n VAL 121 Ca -0.07 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.60 2k46 n VAL 121 Cb 0.22 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 31.93 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k46 n GLY 122 N 1.95 0.14 3.54 7.55 0.00 0.73 -4.96 105.19 114.14 2k46 n GLY 122 Ca -0.36 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 2k46 n GLY 122 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k46 s HIS 123 N 0.00 3.01 0.00 1.61 3.76 -1.26 -4.48 115.29 117.93 2k46 s HIS 123 Ca 0.00 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 2k46 s HIS 123 Cb 0.00 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 30.10 2k46 s HIS 123 CO 0.00 -0.95 0.00 0.45 -0.85 0.00 0.00 174.74 173.39 2k46 n SER 124 N 6.63 0.00 -0.46 1.40 2.88 -1.26 -4.90 113.62 117.91 2k46 n SER 124 Ca 0.02 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.57 2k46 n SER 124 Cb 0.48 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k46 n THR 125 N 0.00 0.00 -3.72 2.46 -2.24 -1.26 -4.63 114.28 104.89 2k46 n THR 125 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2k46 n THR 125 Cb 0.00 -0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.08 2k46 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 s ALA 126 N -1.44 3.38 -0.16 6.98 0.00 -1.26 -4.84 121.76 124.42 2k46 s ALA 126 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 2k46 s ALA 126 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2k46 s ALA 126 CO 0.00 -0.38 0.13 -1.58 0.00 0.00 0.00 175.76 173.92 2k46 s HIS 127 N 1.43 3.49 -0.09 0.00 2.46 -1.07 -4.97 115.29 116.55 2k46 s HIS 127 Ca 0.06 0.42 -0.04 0.00 0.47 0.00 0.00 55.06 55.96 2k46 s HIS 127 Cb -0.15 -2.03 0.04 0.00 -0.13 0.00 0.00 32.58 30.31 2k46 s HIS 127 CO 0.06 0.52 0.21 0.16 -2.47 0.00 0.00 174.74 173.21 2k46 s ASP 128 N -0.38 -0.20 -0.18 9.88 1.47 -1.26 -0.75 116.67 125.25 2k46 s ASP 128 Ca 0.11 0.44 -0.03 0.00 1.18 0.00 0.00 52.55 54.25 2k46 s ASP 128 Cb -0.12 0.33 -0.02 0.00 -0.34 0.00 0.00 42.92 42.77 2k46 s ASP 128 CO 0.01 -0.15 -0.06 -1.61 0.68 0.00 0.00 175.17 174.04 2k46 s GLU 129 N 1.17 3.49 -0.36 2.11 0.41 -0.95 -4.98 118.70 119.58 2k46 s GLU 129 Ca -0.09 -0.60 -0.10 0.00 -0.41 0.00 0.00 54.97 53.78 2k46 s GLU 129 Cb -0.10 -2.89 0.03 0.00 -1.78 0.00 0.00 34.13 29.39 2k46 s GLU 129 CO -0.07 0.06 0.18 0.42 -0.49 0.00 0.00 175.26 175.35 2k46 s ILE 130 N 0.82 4.35 -0.63 -1.63 1.01 -1.26 -2.81 121.20 121.05 2k46 s ILE 130 Ca -0.02 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.72 2k46 s ILE 130 Cb -0.15 -3.44 0.16 0.00 0.01 0.00 0.00 42.46 39.04 2k46 s ILE 130 CO 0.01 -0.22 0.41 -0.63 0.00 0.00 0.00 174.94 174.51 2k46 s ILE 131 N 1.51 3.00 0.36 2.92 1.01 -0.95 -5.01 121.20 124.04 2k46 s ILE 131 Ca 0.01 -3.64 -0.28 0.00 0.00 0.00 0.00 60.65 56.74 2k46 s ILE 131 Cb -0.19 -3.00 -0.11 0.00 0.01 0.00 0.00 42.46 39.17 2k46 s ILE 131 CO 0.06 -0.90 1.41 -2.84 0.00 0.00 0.00 174.94 172.66 2k46 s PRO 132 N -0.74 4.21 0.11 2.79 0.02 -1.26 -2.67 135.00 137.46 2k46 s PRO 132 Ca 0.20 2.42 0.04 0.00 0.02 0.00 0.00 61.00 63.69 2k46 s PRO 132 Cb -0.17 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 2k46 s PRO 132 CO -0.07 -0.39 -0.11 0.42 -0.33 0.00 0.00 177.00 176.52 2k46 s ILE 133 N -1.13 1.05 -0.24 2.83 1.01 0.78 -4.42 121.20 121.08 2k46 s ILE 133 Ca 0.51 -1.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.42 2k46 s ILE 133 Cb -0.44 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 40.62 2k46 s ILE 133 CO 0.59 -0.57 0.03 -0.94 0.00 0.00 0.00 174.94 174.04 2k46 s SER 134 N -2.59 3.57 -0.23 3.58 1.04 -1.08 -1.42 113.70 116.57 2k46 s SER 134 Ca 0.08 -1.21 -0.06 0.00 0.48 0.00 0.00 55.95 55.24 2k46 s SER 134 Cb -0.02 -0.88 -0.03 0.00 0.10 0.00 0.00 66.02 65.19 2k46 s SER 134 CO 0.01 -0.32 0.04 -0.63 0.98 0.00 0.00 173.24 173.32 2k46 s ILE 135 N 1.62 4.17 -0.07 -1.02 1.01 -0.72 -1.84 121.20 124.35 2k46 s ILE 135 Ca 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 2k46 s ILE 135 Cb -0.18 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.38 2k46 s ILE 135 CO -0.12 0.37 0.20 -0.54 0.00 0.00 0.00 174.94 174.84 2k46 s LYS 136 N 1.39 0.27 -2.12 2.79 -0.14 -0.80 -1.62 119.74 119.50 2k46 s LYS 136 Ca 0.05 0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 2k46 s LYS 136 Cb -0.15 0.13 0.00 0.00 -1.68 0.00 0.00 37.83 36.13 2k46 s LYS 136 CO 0.02 -0.04 0.00 1.17 -0.76 0.00 0.00 175.35 175.74 2k46 n LYS 137 N 2.78 -1.42 -0.82 1.68 4.81 -1.26 -1.22 118.16 122.71 2k46 n LYS 137 Ca -0.14 1.20 0.00 0.00 -0.87 0.00 0.00 58.31 58.50 2k46 n LYS 137 Cb 0.58 -5.57 0.00 0.00 0.02 0.00 0.00 35.03 30.06 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k46 n GLY 138 N -0.52 0.49 3.49 3.14 0.00 -1.26 -5.06 105.19 105.47 2k46 n GLY 138 Ca -0.21 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 2k46 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k46 s LYS 139 N -1.64 1.76 -0.11 1.61 -0.14 -0.36 -2.76 119.74 118.10 2k46 s LYS 139 Ca 0.00 -1.48 0.01 0.00 -1.36 0.00 0.00 55.97 53.14 2k46 s LYS 139 Cb 0.00 -1.95 -0.01 0.00 -1.68 0.00 0.00 37.83 34.19 2k46 s LYS 139 CO 0.00 0.40 -0.15 -1.17 -0.76 0.00 0.00 175.35 173.66 2k46 s LEU 140 N -2.91 2.60 -0.27 3.17 0.20 -0.08 -1.90 118.68 119.49 2k46 s LEU 140 Ca 0.24 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 54.72 2k46 s LEU 140 Cb -0.08 -1.56 0.05 0.00 -0.43 0.00 0.00 46.19 44.17 2k46 s LEU 140 CO 0.13 0.19 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.75 2k46 s SER 141 N 0.20 4.48 -0.44 3.68 0.15 -0.77 -1.31 113.70 119.70 2k46 s SER 141 Ca -0.09 -1.26 -0.09 0.00 0.70 0.00 0.00 55.95 55.22 2k46 s SER 141 Cb -0.16 -1.61 0.10 0.00 -1.71 0.00 0.00 66.02 62.65 2k46 s SER 141 CO 0.06 -0.19 0.29 0.54 1.20 0.00 0.00 173.24 175.14 2k46 s VAL 142 N 1.18 4.13 0.00 4.45 0.11 -0.21 -2.64 120.40 127.42 2k46 s VAL 142 Ca -0.06 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.36 2k46 s VAL 142 Cb -0.19 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 2k46 s VAL 142 CO -0.04 -0.64 0.00 0.00 -3.33 0.00 0.00 175.10 171.08 2k46 n GLN 143 N 4.89 0.00 -0.35 1.54 3.00 -1.26 -0.98 117.38 124.22 2k46 n GLN 143 Ca -0.08 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.97 2k46 n GLN 143 Cb 0.42 0.00 0.12 0.00 0.00 0.00 0.00 30.24 30.77 2k46 n GLN 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k46 n GLY 144 N 0.00 3.77 3.01 1.08 0.00 -1.26 -5.02 105.19 106.77 2k46 n GLY 144 Ca 0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 2k46 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k46 s GLU 145 N -2.16 1.35 -0.08 1.61 0.41 -0.15 -5.14 118.70 114.54 2k46 s GLU 145 Ca 0.27 -0.35 -0.02 0.00 -0.41 0.00 0.00 54.97 54.45 2k46 s GLU 145 Cb 0.25 -1.18 -0.03 0.00 -1.78 0.00 0.00 34.13 31.38 2k46 s GLU 145 CO -0.01 0.06 0.03 0.54 -0.49 0.00 0.00 175.26 175.40 2k46 s VAL 146 N 0.49 4.56 0.29 2.63 0.11 -1.26 -1.05 120.40 126.18 2k46 s VAL 146 Ca -0.10 -0.19 -0.13 0.00 -2.93 0.00 0.00 61.98 58.63 2k46 s VAL 146 Cb -0.13 -2.95 0.01 0.00 -1.53 0.00 0.00 36.38 31.78 2k46 s VAL 146 CO 0.02 0.58 0.58 -0.44 -3.33 0.00 0.00 175.10 172.50 2k46 s SER 147 N -1.02 0.07 -0.14 3.54 0.01 -0.42 -5.02 113.70 110.73 2k46 s SER 147 Ca 0.15 -1.01 -0.09 0.00 1.31 0.00 0.00 55.95 56.31 2k46 s SER 147 Cb -0.12 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 2k46 s SER 147 CO 0.04 -1.30 0.17 0.42 0.41 0.00 0.00 173.24 172.97 2k46 s THR 148 N -3.54 5.44 0.16 1.44 -4.23 -1.26 -0.91 115.64 112.74 2k46 s THR 148 Ca 0.21 0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.69 2k46 s THR 148 Cb -0.02 -3.46 -0.07 0.00 1.34 0.00 0.00 72.50 70.29 2k46 s THR 148 CO 0.11 0.55 0.96 0.12 -0.54 0.00 0.00 174.62 175.83 2k46 s PHE 149 N -0.56 3.86 -0.33 3.99 5.36 -1.11 -4.72 117.98 124.47 2k46 s PHE 149 Ca 0.14 1.83 0.02 0.00 -0.96 0.00 0.00 56.93 57.96 2k46 s PHE 149 Cb -0.12 -3.04 0.15 0.00 -0.34 0.00 0.00 43.02 39.67 2k46 s PHE 149 CO 0.03 0.25 0.36 0.99 -1.46 0.00 0.00 175.22 175.39 2k46 s THR 150 N -0.45 -0.41 0.00 0.12 2.01 -1.26 -4.85 115.64 110.80 2k46 s THR 150 Ca 0.45 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2k46 s THR 150 Cb -0.25 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2k46 s THR 150 CO 0.31 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.36 2k46 n GLY 151 N 4.78 1.99 3.54 4.40 0.00 -1.26 -4.93 105.19 113.71 2k46 n GLY 151 Ca 0.05 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2k46 n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k46 s LYS 152 N 0.00 1.95 -0.20 1.61 0.00 -1.26 -2.95 119.74 118.88 2k46 s LYS 152 Ca 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 55.97 54.20 2k46 s LYS 152 Cb 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 37.83 38.26 2k46 s LYS 152 CO 0.00 -0.83 0.09 -1.17 0.00 0.00 0.00 175.35 173.44 2k46 s LEU 153 N -3.20 3.86 -0.21 2.77 0.20 0.39 -4.86 118.68 117.63 2k46 s LEU 153 Ca 0.28 0.07 -0.01 0.00 0.69 0.00 0.00 54.13 55.16 2k46 s LEU 153 Cb -0.01 -2.00 0.02 0.00 -0.43 0.00 0.00 46.19 43.77 2k46 s LEU 153 CO 0.19 0.13 -0.13 -0.55 -0.29 0.00 0.00 176.35 175.70 2k46 s SER 154 N 0.61 3.72 -0.62 3.68 0.15 -1.26 -0.04 113.70 119.94 2k46 s SER 154 Ca 0.04 -0.68 -0.19 0.00 0.70 0.00 0.00 55.95 55.83 2k46 s SER 154 Cb -0.13 -1.58 0.10 0.00 -1.71 0.00 0.00 66.02 62.71 2k46 s SER 154 CO 0.01 -0.04 0.75 -0.69 1.20 0.00 0.00 173.24 174.47 2k46 s VAL 155 N 1.33 4.78 -0.16 4.45 1.01 -0.97 0.43 120.40 131.27 2k46 s VAL 155 Ca 0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 2k46 s VAL 155 Cb -0.14 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 2k46 s VAL 155 CO -0.09 -1.18 -0.04 -0.70 0.00 0.00 0.00 175.10 173.09 2k46 s GLU 156 N 2.76 3.62 -0.05 2.72 2.12 -0.91 -2.35 118.70 126.61 2k46 s GLU 156 Ca 0.14 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 54.98 2k46 s GLU 156 Cb -0.22 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 2k46 s GLU 156 CO 0.05 0.20 -0.23 -0.59 -0.54 0.00 0.00 175.26 174.16 2k46 s PHE 157 N 0.46 2.22 -0.01 5.30 -0.12 -1.08 -1.32 117.98 123.44 2k46 s PHE 157 Ca -0.04 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 2k46 s PHE 157 Cb -0.14 -1.47 -0.03 0.00 -0.63 0.00 0.00 43.02 40.75 2k46 s PHE 157 CO 0.03 -0.19 -0.05 0.08 -0.05 0.00 0.00 175.22 175.04 2k46 s VAL 158 N -0.13 3.80 0.46 -2.49 1.01 -0.93 -2.76 120.40 119.35 2k46 s VAL 158 Ca -0.03 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 2k46 s VAL 158 Cb -0.13 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.52 2k46 s VAL 158 CO 0.03 0.41 1.39 2.29 0.00 0.00 0.00 175.10 179.22 2k46 n LYS 159 N 1.59 2.08 0.00 2.72 2.85 -1.26 -2.66 118.16 123.48 2k46 n LYS 159 Ca -0.15 0.75 0.00 0.00 -1.05 0.00 0.00 58.31 57.85 2k46 n LYS 159 Cb 0.53 -2.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.33 2k46 n LYS 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k46 n GLY 160 N 0.66 0.40 2.16 2.58 0.00 -1.24 -4.83 105.19 104.92 2k46 n GLY 160 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2k46 n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k46 n TYR 161 N -1.28 -4.00 -3.63 1.61 9.36 -1.26 -4.79 117.16 113.17 2k46 n TYR 161 Ca 0.00 1.20 -0.03 0.00 3.32 0.00 0.00 57.90 62.39 2k46 n TYR 161 Cb 0.00 2.98 -0.04 0.00 -0.63 0.00 0.00 39.34 41.65 2k46 n TYR 161 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2k46 s TYR 162 N -1.80 -0.08 -0.40 2.98 6.14 -1.26 -5.08 117.35 117.85 2k46 s TYR 162 Ca 0.00 0.13 -0.16 0.00 0.64 0.00 0.00 57.07 57.68 2k46 s TYR 162 Cb 0.00 0.49 0.02 0.00 0.42 0.00 0.00 41.96 42.89 2k46 s TYR 162 CO 0.00 -0.08 0.48 -0.25 0.64 0.00 0.00 175.55 176.34 2k46 n ASP 163 N 0.48 -7.64 -4.26 4.32 8.00 -1.26 -4.92 116.55 111.27 2k46 n ASP 163 Ca -0.01 0.61 -0.35 0.00 0.71 0.00 0.00 54.79 55.76 2k46 n ASP 163 Cb 0.59 -4.82 0.08 0.00 -0.02 0.00 0.00 41.12 36.95 2k46 n ASP 163 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k46 n ASN 164 N -0.06 -3.51 -2.70 -2.24 3.02 -1.26 -4.44 115.26 104.07 2k46 n ASN 164 Ca 0.07 0.31 -0.28 0.00 -0.03 0.00 0.00 54.58 54.65 2k46 n ASN 164 Cb 0.41 -1.03 -0.09 0.00 -0.61 0.00 0.00 39.78 38.46 2k46 n ASN 164 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k46 n PRO 165 N 0.05 0.00 0.12 3.52 -0.02 -1.26 -4.82 135.00 132.59 2k46 n PRO 165 Ca 0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.46 2k46 n PRO 165 Cb 0.54 -0.92 -0.03 0.00 -0.02 0.00 0.00 33.50 33.07 2k46 n PRO 165 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k46 h LYS 166 N 6.80 -0.35 -5.91 -0.52 1.63 -1.80 -3.42 116.57 113.00 2k46 h LYS 166 Ca -0.04 0.02 -0.58 0.00 -0.85 0.00 0.00 60.65 59.20 2k46 h LYS 166 Cb 0.82 0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.46 2k46 h LYS 166 CO 0.80 -0.23 -0.13 0.08 -3.45 0.00 0.00 179.45 176.51 2k46 s VAL 167 N -3.91 5.06 -0.03 2.00 1.01 -1.01 -4.07 120.40 119.45 2k46 s VAL 167 Ca -0.06 0.98 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2k46 s VAL 167 Cb 0.01 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2k46 s VAL 167 CO 0.19 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.61 2k46 n ALA 169 N 3.18 3.42 -1.18 0.00 0.00 -0.07 -0.60 120.51 125.24 2k46 n ALA 169 Ca -0.17 -3.05 -0.43 0.00 0.00 0.00 0.00 53.44 49.79 2k46 n ALA 169 Cb 0.54 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 2k46 n ALA 169 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k46 n LEU 170 N -0.49 -0.70 -3.25 0.00 -0.00 0.20 -3.06 117.00 109.69 2k46 n LEU 170 Ca 0.19 0.94 -0.04 0.00 -0.00 0.00 0.00 56.01 57.10 2k46 n LEU 170 Cb 0.90 -0.78 -0.04 0.00 -0.00 0.00 0.00 43.42 43.50 2k46 n LEU 170 CO 0.09 -2.18 -0.00 0.12 -0.00 0.00 0.00 177.39 175.41 2k46 s PHE 171 N -0.56 -1.28 -0.17 1.96 5.36 -0.40 -0.93 117.98 121.96 2k46 s PHE 171 Ca 0.60 0.68 -0.04 0.00 -0.96 0.00 0.00 56.93 57.22 2k46 s PHE 171 Cb -0.86 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.84 2k46 s PHE 171 CO 0.47 -0.98 -0.03 -1.50 -1.46 0.00 0.00 175.22 171.71 2k46 s ILE 172 N 2.65 3.88 0.35 3.12 2.07 -0.09 -1.65 121.20 131.53 2k46 s ILE 172 Ca 0.11 -0.36 0.08 0.00 -1.41 0.00 0.00 60.65 59.07 2k46 s ILE 172 Cb -0.12 -2.71 -0.07 0.00 0.13 0.00 0.00 42.46 39.69 2k46 s ILE 172 CO -0.27 0.47 -0.05 0.00 -1.91 0.00 0.00 174.94 173.18 2k46 s MET 173 N 0.57 1.81 0.18 3.50 0.23 -1.09 -2.82 119.30 121.68 2k46 s MET 173 Ca -0.02 -1.96 0.11 0.00 -1.03 0.00 0.00 55.69 52.79 2k46 s MET 173 Cb -0.14 -1.55 -0.04 0.00 -1.53 0.00 0.00 34.83 31.56 2k46 s MET 173 CO 0.02 0.05 -0.24 -1.59 -2.03 0.00 0.00 175.02 171.23 2k46 s LYS 174 N -3.67 1.47 0.00 3.16 -2.85 -1.16 -2.44 119.74 114.24 2k46 s LYS 174 Ca 0.33 -1.47 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 2k46 s LYS 174 Cb 0.05 -1.82 0.00 0.00 -2.06 0.00 0.00 37.83 34.00 2k46 s LYS 174 CO 0.16 0.40 0.00 0.41 0.10 0.00 0.00 175.35 176.42 2k46 n GLY 175 N 0.43 2.54 0.00 0.59 0.00 0.95 -4.86 105.19 104.84 2k46 n GLY 175 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2k46 n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k46 n THR 176 N 0.00 0.00 0.06 2.61 -2.24 0.02 -2.86 114.28 111.87 2k46 n THR 176 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 2k46 n THR 176 Cb 0.00 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 2k46 n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k46 h ALA 177 N 0.00 0.27 0.00 6.98 0.00 -1.94 -3.33 119.26 121.24 2k46 h ALA 177 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2k46 h ALA 177 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k46 h ALA 177 CO 0.00 1.13 0.00 0.22 0.00 0.00 0.00 179.25 180.60 2k46 h ASP 178 N 0.08 0.00 0.24 0.00 3.58 -2.00 -0.98 116.42 117.33 2k46 h ASP 178 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2k46 h ASP 178 Cb 2.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.09 2k46 h ASP 178 CO 0.16 0.00 -0.30 0.47 -2.88 0.00 0.00 179.24 176.69 2k46 n ASP 179 N -2.33 1.04 -0.06 2.28 9.92 -1.25 -4.43 116.55 121.71 2k46 n ASP 179 Ca 0.00 -0.88 -0.12 0.00 -0.53 0.00 0.00 54.79 53.26 2k46 n ASP 179 Cb 0.13 0.17 -0.07 0.00 -0.64 0.00 0.00 41.12 40.72 2k46 n ASP 179 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2k46 h VAL 180 N 1.17 0.08 -4.19 2.53 2.07 -1.35 -3.43 116.25 113.14 2k46 h VAL 180 Ca 0.00 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.02 2k46 h VAL 180 Cb 0.52 0.08 0.15 0.00 -1.52 0.00 0.00 31.29 30.53 2k46 h VAL 180 CO 0.00 0.00 0.27 -2.16 0.02 0.00 0.00 177.57 175.70 2k46 s PRO 181 N -5.81 1.60 -0.67 1.57 0.04 -1.26 -4.80 135.00 125.67 2k46 s PRO 181 Ca -0.15 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 2k46 s PRO 181 Cb 0.10 -1.83 0.17 0.00 0.04 0.00 0.00 34.50 32.98 2k46 s PRO 181 CO 0.64 -2.09 0.61 1.41 0.04 0.00 0.00 177.00 177.61 2k46 s MET 182 N -4.85 3.21 0.29 4.56 1.75 -1.26 -4.81 119.30 118.19 2k46 s MET 182 Ca 0.63 -2.12 -0.28 0.00 -1.25 0.00 0.00 55.69 52.67 2k46 s MET 182 Cb -0.19 -4.30 -0.09 0.00 2.84 0.00 0.00 34.83 33.09 2k46 s MET 182 CO 0.57 -1.29 0.98 -0.51 -0.65 0.00 0.00 175.02 174.12 2k46 s LEU 183 N 0.81 4.48 0.27 4.11 1.43 -1.26 -4.99 118.68 123.53 2k46 s LEU 183 Ca 0.11 1.97 -0.24 0.00 -1.03 0.00 0.00 54.13 54.94 2k46 s LEU 183 Cb -0.20 -3.80 -0.09 0.00 0.03 0.00 0.00 46.19 42.13 2k46 s LEU 183 CO -0.03 -0.02 0.86 -1.10 0.23 0.00 0.00 176.35 176.28 2k46 s GLN 184 N -1.63 4.51 0.16 1.70 -0.21 -1.26 -4.34 119.66 118.58 2k46 s GLN 184 Ca 0.46 1.18 -0.33 0.00 0.02 0.00 0.00 55.36 56.70 2k46 s GLN 184 Cb -0.24 -2.92 -0.17 0.00 1.00 0.00 0.00 33.01 30.69 2k46 s GLN 184 CO 0.30 0.37 0.97 -2.30 -2.12 0.00 0.00 175.29 172.51 2k46 n PRO 185 N 0.80 0.67 -4.21 2.91 -0.02 -1.26 -4.99 135.00 128.91 2k46 n PRO 185 Ca -0.01 0.24 -0.19 0.00 -2.02 0.00 0.00 63.50 61.52 2k46 n PRO 185 Cb 0.50 -1.60 -0.16 0.00 -0.02 0.00 0.00 33.50 32.22 2k46 n PRO 185 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2k46 s HIS 186 N -0.44 0.71 0.00 6.00 2.46 -1.26 -5.11 115.29 117.65 2k46 s HIS 186 Ca 0.73 -0.17 0.00 0.00 0.47 0.00 0.00 55.06 56.08 2k46 s HIS 186 Cb -0.94 -0.58 0.00 0.00 -0.13 0.00 0.00 32.58 30.94 2k46 s HIS 186 CO 0.55 -0.13 0.00 -0.35 -2.47 0.00 0.00 174.74 172.34 2k46 n PRO 187 N 3.64 0.00 -0.55 2.88 -0.04 -1.26 -5.08 135.00 134.59 2k46 n PRO 187 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2k46 n PRO 187 Cb 0.53 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 2k46 n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k46 n GLY 188 N 1.51 -1.27 3.41 0.55 0.00 -1.26 -4.95 105.19 103.18 2k46 n GLY 188 Ca 0.00 -0.78 -0.45 0.00 0.00 0.00 0.00 46.02 44.79 2k46 n GLY 188 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k46 s LEU 189 N 0.00 5.60 0.00 0.99 2.01 -1.26 -5.36 118.68 120.65 2k46 s LEU 189 Ca 0.00 -2.40 0.14 0.00 0.01 0.00 0.00 54.13 51.87 2k46 s LEU 189 Cb 0.00 -2.34 0.11 0.00 0.01 0.00 0.00 46.19 43.97 2k46 s LEU 189 CO 0.00 -0.86 0.93 -0.62 1.01 0.00 0.00 176.35 176.81