#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k46 n ALA 2 N 0.00 2.10 0.46 4.61 0.00 -1.26 -4.78 120.51 121.65 2k46 n ALA 2 Ca 0.00 -1.66 -0.19 0.00 0.00 0.00 0.00 53.44 51.59 2k46 n ALA 2 Cb 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 2k46 n ALA 2 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2k46 h MET 3 N 0.00 -1.14 -5.41 0.00 2.07 -2.06 -3.48 114.93 104.90 2k46 h MET 3 Ca 0.00 0.08 -0.02 0.00 -2.07 0.00 0.00 59.70 57.69 2k46 h MET 3 Cb 0.71 0.26 0.00 0.00 -1.87 0.00 0.00 31.60 30.70 2k46 h MET 3 CO 0.00 -0.76 -0.92 0.43 1.07 0.00 0.00 176.91 176.73 2k46 n SER 4 N -5.57 -7.72 -2.67 1.22 7.64 -1.26 -5.00 113.62 100.25 2k46 n SER 4 Ca -0.15 1.07 -0.08 0.00 1.01 0.00 0.00 58.87 60.72 2k46 n SER 4 Cb 0.47 -4.66 0.05 0.00 -1.01 0.00 0.00 64.21 59.06 2k46 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k46 n GLY 5 N 0.59 1.49 0.09 0.23 0.00 -1.26 -4.93 105.19 101.40 2k46 n GLY 5 Ca 0.02 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 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 2.82 0.15 -2.05 0.99 5.85 -1.88 -2.76 115.31 118.44 2k46 h LEU 6 Ca -0.13 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.18 2k46 h LEU 6 Cb 1.20 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2k46 h LEU 6 CO 0.40 0.55 0.33 0.00 -0.34 0.00 0.00 178.44 179.38 2k46 h ALA 7 N 0.61 1.47 0.00 1.25 0.00 -1.80 0.11 119.26 120.91 2k46 h ALA 7 Ca 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2k46 h ALA 7 Cb 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k46 h ALA 7 CO 0.01 -0.37 -0.17 0.22 0.00 0.00 0.00 179.25 178.94 2k46 h ASP 8 N 0.00 0.00 0.11 0.00 3.58 -1.84 -3.30 116.42 114.96 2k46 h ASP 8 Ca 0.04 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.25 2k46 h ASP 8 Cb 0.70 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.71 2k46 h ASP 8 CO -0.00 0.17 -2.13 0.29 -2.88 0.00 0.00 179.24 174.69 2k46 n LYS 9 N -3.15 0.67 -1.40 0.28 4.76 0.34 -4.99 118.16 114.67 2k46 n LYS 9 Ca 0.03 -0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2k46 n LYS 9 Cb 0.58 -1.57 0.01 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.63 1.40 0.00 -0.18 3.14 -0.91 -2.78 118.33 116.36 2k46 n VAL 10 Ca -0.21 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.67 2k46 n VAL 10 Cb 0.94 -0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 -1.06 0.00 -3.65 1.55 -5.35 -1.18 -4.83 119.36 104.84 2k46 n ILE 11 Ca 0.11 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.57 2k46 n ILE 11 Cb 0.41 0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.25 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 -0.22 -0.31 -0.09 4.28 -0.00 -1.15 -5.07 118.94 116.39 2k46 s TRP 12 Ca 0.00 0.65 -0.15 0.00 -0.00 0.00 0.00 56.10 56.61 2k46 s TRP 12 Cb 0.00 0.27 0.03 0.00 -0.00 0.00 0.00 33.47 33.77 2k46 s TRP 12 CO 0.00 -0.15 0.37 0.00 -0.00 0.00 0.00 176.95 177.16 2k46 s ALA 13 N 0.88 -0.92 -0.13 5.86 0.00 -1.26 -0.63 121.76 125.57 2k46 s ALA 13 Ca -0.04 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 2k46 s ALA 13 Cb -0.04 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.81 2k46 s ALA 13 CO -0.12 -0.22 0.28 0.08 0.00 0.00 0.00 175.76 175.78 2k46 s VAL 14 N -0.45 -0.17 -0.39 0.00 1.01 0.08 -1.50 120.40 118.98 2k46 s VAL 14 Ca -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2k46 s VAL 14 Cb -0.04 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 36.00 2k46 s VAL 14 CO 0.02 0.07 0.16 0.21 0.00 0.00 0.00 175.10 175.56 2k46 s ASN 15 N 1.68 5.13 -0.54 3.32 2.47 -1.26 0.64 114.94 126.38 2k46 s ASN 15 Ca -0.06 -1.99 -0.27 0.00 0.42 0.00 0.00 52.86 50.96 2k46 s ASN 15 Cb -0.11 -1.78 -0.01 0.00 -1.45 0.00 0.00 41.25 37.90 2k46 s ASN 15 CO -0.09 -0.49 1.71 0.00 -3.72 0.00 0.00 177.10 174.51 2k46 s ALA 16 N 1.10 2.51 0.00 1.71 0.00 0.14 -3.60 121.76 123.63 2k46 s ALA 16 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2k46 s ALA 16 Cb -0.22 -4.19 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2k46 s ALA 16 CO -0.05 -3.35 0.00 0.41 0.00 0.00 0.00 175.76 172.77 2k46 n GLY 17 N 5.51 0.86 0.00 0.00 0.00 -1.26 -3.06 105.19 107.24 2k46 n GLY 17 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 1.66 3.55 -0.02 0.00 -1.24 -3.52 105.19 105.62 2k46 n GLY 18 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.36 0.46 0.00 1.61 2.12 -1.26 -4.22 118.70 120.78 2k46 s GLU 19 Ca 0.00 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.49 2k46 s GLU 19 Cb 0.00 0.68 0.00 0.00 0.26 0.00 0.00 34.13 35.07 2k46 s GLU 19 CO 0.00 -0.16 0.00 0.43 -0.54 0.00 0.00 175.26 174.99 2k46 n SER 20 N 5.22 -5.95 -4.08 -1.70 7.64 -1.24 -4.91 113.62 108.61 2k46 n SER 20 Ca -0.11 0.74 -0.21 0.00 1.01 0.00 0.00 58.87 60.31 2k46 n SER 20 Cb 0.51 -1.20 -0.15 0.00 -1.01 0.00 0.00 64.21 62.36 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 -0.00 1.09 -0.36 1.43 2.46 -1.11 -4.90 115.29 113.90 2k46 s HIS 21 Ca 0.00 -0.21 -0.02 0.00 0.47 0.00 0.00 55.06 55.30 2k46 s HIS 21 Cb 0.00 -0.70 0.09 0.00 -0.13 0.00 0.00 32.58 31.83 2k46 s HIS 21 CO 0.00 -0.02 0.10 0.54 -2.47 0.00 0.00 174.74 172.90 2k46 s VAL 22 N -0.30 3.04 0.76 0.89 0.11 -1.26 -0.37 120.40 123.27 2k46 s VAL 22 Ca 0.05 -1.83 -0.13 0.00 -2.93 0.00 0.00 61.98 57.13 2k46 s VAL 22 Cb -0.05 -2.97 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 2k46 s VAL 22 CO -0.00 -0.45 1.16 -0.62 -3.33 0.00 0.00 175.10 171.85 2k46 s ASP 23 N 1.48 4.16 0.24 3.54 -1.08 -0.05 -4.78 116.67 120.18 2k46 s ASP 23 Ca 0.03 2.18 -0.11 0.00 -0.52 0.00 0.00 52.55 54.13 2k46 s ASP 23 Cb -0.21 -2.57 0.34 0.00 -1.46 0.00 0.00 42.92 39.02 2k46 s ASP 23 CO -0.03 -2.28 1.60 -0.37 0.52 0.00 0.00 175.17 174.60 2k46 h VAL 24 N -0.67 0.20 0.00 1.11 -1.51 -1.98 1.10 116.25 114.50 2k46 h VAL 24 Ca -0.46 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2k46 h VAL 24 Cb 1.27 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2k46 h VAL 24 CO 0.49 0.00 0.02 0.45 -1.23 0.00 0.00 177.57 177.30 2k46 h HIS 25 N 0.00 0.00 0.00 5.19 3.86 -2.03 -3.44 115.15 118.72 2k46 h HIS 25 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2k46 h HIS 25 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2k46 h HIS 25 CO -0.63 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.57 2k46 n GLY 26 N -1.16 1.48 3.41 2.45 0.00 0.38 -3.70 105.19 108.04 2k46 n GLY 26 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 4.66 -0.13 -0.61 -1.09 -1.11 -4.54 121.20 116.39 2k46 s ILE 27 Ca 0.00 -0.69 -0.10 0.00 -2.23 0.00 0.00 60.65 57.62 2k46 s ILE 27 Cb 0.00 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.30 2k46 s ILE 27 CO 0.00 -0.15 0.21 -2.28 -1.23 0.00 0.00 174.94 171.49 2k46 s HIS 28 N 1.59 3.54 -0.15 3.97 5.65 -1.25 -0.87 115.29 127.77 2k46 s HIS 28 Ca 0.03 0.56 -0.08 0.00 0.25 0.00 0.00 55.06 55.82 2k46 s HIS 28 Cb -0.18 -2.12 -0.04 0.00 -1.18 0.00 0.00 32.58 29.05 2k46 s HIS 28 CO 0.07 0.51 0.13 -0.47 -0.65 0.00 0.00 174.74 174.33 2k46 s TYR 29 N -0.39 3.49 -0.42 3.88 5.04 0.50 -4.05 117.35 125.39 2k46 s TYR 29 Ca 0.15 0.41 -0.23 0.00 -2.44 0.00 0.00 57.07 54.96 2k46 s TYR 29 Cb -0.13 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.17 2k46 s TYR 29 CO 0.04 0.52 0.79 1.03 -1.34 0.00 0.00 175.55 176.58 2k46 s ARG 30 N -0.39 3.52 0.02 4.97 0.52 -0.56 -2.74 118.95 124.28 2k46 s ARG 30 Ca 0.11 0.03 -0.06 0.00 -0.52 0.00 0.00 55.73 55.30 2k46 s ARG 30 Cb -0.12 -3.90 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 2k46 s ARG 30 CO 0.01 -1.04 0.13 1.17 0.02 0.00 0.00 175.30 175.60 2k46 n LYS 31 N 6.64 0.00 0.00 3.54 4.81 -1.26 -3.85 118.16 128.03 2k46 n LYS 31 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2k46 n LYS 31 Cb 0.48 -0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.32 2k46 n LYS 31 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k46 n ASP 32 N 0.31 0.00 -1.35 3.14 8.00 -1.26 -4.77 116.55 120.62 2k46 n ASP 32 Ca 0.03 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.62 2k46 n ASP 32 Cb 0.03 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.44 2k46 n ASP 32 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2k46 n PRO 33 N 0.00 3.53 0.00 -0.24 -0.04 -1.25 -2.81 135.00 134.19 2k46 n PRO 33 Ca 0.00 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 2k46 n PRO 33 Cb 0.00 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.76 1.21 -4.47 1.53 0.00 -1.26 -4.59 117.00 110.19 2k46 n LEU 34 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.81 2k46 n LEU 34 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 44.22 2k46 n LEU 34 CO 0.20 0.20 1.02 -0.70 0.00 0.00 0.00 177.39 178.12 2k46 s GLU 35 N -1.49 3.48 0.00 1.96 2.56 -1.26 -3.95 118.70 120.00 2k46 s GLU 35 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 54.97 53.55 2k46 s GLU 35 Cb 0.00 -4.83 0.00 0.00 2.00 0.00 0.00 34.13 31.30 2k46 s GLU 35 CO 0.00 -1.86 0.00 0.41 -0.56 0.00 0.00 175.26 173.25 2k46 n GLY 36 N 5.69 0.93 4.26 -1.50 0.00 -1.26 -3.88 105.19 109.43 2k46 n GLY 36 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2k46 n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k46 n ARG 37 N -2.00 -1.41 -4.16 1.61 0.00 -1.25 -4.93 116.66 104.51 2k46 n ARG 37 Ca 0.00 0.16 -0.15 0.00 -0.00 0.00 0.00 57.85 57.86 2k46 n ARG 37 Cb 0.00 -3.83 -0.07 0.00 -0.00 0.00 0.00 32.46 28.56 2k46 n ARG 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k46 s VAL 38 N -4.25 0.00 -0.28 8.89 -7.23 -1.12 -4.92 120.40 111.49 2k46 s VAL 38 Ca 0.04 -1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 58.24 2k46 s VAL 38 Cb -0.03 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2k46 s VAL 38 CO 0.98 0.00 0.56 -0.83 -0.31 0.00 0.00 175.10 175.50 2k46 s GLY 39 N -3.24 1.82 0.01 2.32 0.00 -1.26 -4.52 107.32 102.45 2k46 s GLY 39 Ca 0.35 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.43 2k46 s GLY 39 CO 0.20 1.32 0.00 0.54 0.00 0.00 0.00 173.10 175.16 2k46 n ARG 40 N 5.67 0.00 0.00 2.90 1.74 -1.26 -5.06 116.66 120.65 2k46 n ARG 40 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2k46 n ARG 40 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 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 -2.52 0.00 -3.12 7.54 0.00 -1.26 -4.69 120.51 116.46 2k46 n ALA 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2k46 n ALA 41 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2k46 n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k46 n SER 42 N 2.42 -4.82 -4.10 0.00 2.88 -1.26 -4.57 113.62 104.17 2k46 n SER 42 Ca 0.00 -0.60 -0.42 0.00 -1.33 0.00 0.00 58.87 56.52 2k46 n SER 42 Cb 0.00 -4.65 -0.01 0.00 -0.75 0.00 0.00 64.21 58.81 2k46 n SER 42 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k46 n ASP 43 N -2.98 4.17 -4.57 -3.46 5.75 -1.26 -4.78 116.55 109.42 2k46 n ASP 43 Ca -0.12 -2.85 -0.22 0.00 -0.01 0.00 0.00 54.79 51.58 2k46 n ASP 43 Cb 0.62 -1.66 -0.07 0.00 -1.03 0.00 0.00 41.12 38.98 2k46 n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2k46 s TYR 44 N 4.08 1.60 0.05 2.11 5.04 -1.26 -4.40 117.35 124.56 2k46 s TYR 44 Ca 0.51 1.20 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 2k46 s TYR 44 Cb 0.09 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.64 2k46 s TYR 44 CO 0.00 -1.33 0.00 0.41 -1.34 0.00 0.00 175.55 173.29 2k46 n GLY 45 N 6.40 -4.30 0.12 8.97 0.00 -1.26 -4.83 105.19 110.29 2k46 n GLY 45 Ca 0.43 -0.39 0.15 0.00 0.00 0.00 0.00 46.02 46.22 2k46 n GLY 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k46 n MET 46 N 0.85 1.13 -0.40 1.61 2.81 -1.26 -4.89 117.12 116.98 2k46 n MET 46 Ca 0.00 -0.24 -0.27 0.00 -1.81 0.00 0.00 57.70 55.38 2k46 n MET 46 Cb 0.00 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.25 2k46 n MET 46 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2k46 n LYS 47 N -0.73 -3.45 -3.57 0.03 2.85 -1.26 -4.13 118.16 107.90 2k46 n LYS 47 Ca 0.22 -1.01 -0.23 0.00 -1.05 0.00 0.00 58.31 56.23 2k46 n LYS 47 Cb 0.18 -1.82 0.05 0.00 -0.65 0.00 0.00 35.03 32.79 2k46 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k46 n LEU 48 N -4.00 -3.69 -4.74 -5.58 7.99 -1.26 -4.90 117.00 100.82 2k46 n LEU 48 Ca 0.08 -0.86 -0.41 0.00 -0.01 0.00 0.00 56.01 54.80 2k46 n LEU 48 Cb 0.52 -2.71 -0.03 0.00 -0.11 0.00 0.00 43.42 41.10 2k46 n LEU 48 CO 0.40 0.35 1.08 -2.84 -1.51 0.00 0.00 177.39 174.88 2k46 s PRO 49 N -5.55 4.29 0.18 3.23 0.02 -1.26 -4.94 135.00 130.96 2k46 s PRO 49 Ca 0.30 2.25 -0.32 0.00 0.02 0.00 0.00 61.00 63.25 2k46 s PRO 49 Cb -0.08 -3.13 -0.11 0.00 0.02 0.00 0.00 34.50 31.19 2k46 s PRO 49 CO 0.81 -0.39 1.77 0.42 -0.33 0.00 0.00 177.00 179.27 2k46 s ILE 50 N 0.11 2.22 -0.01 2.83 1.09 -1.26 -4.91 121.20 121.27 2k46 s ILE 50 Ca 0.59 0.02 -0.25 0.00 -1.10 0.00 0.00 60.65 59.92 2k46 s ILE 50 Cb -0.41 -3.02 -0.19 0.00 -1.06 0.00 0.00 42.46 37.79 2k46 s ILE 50 CO 0.41 0.00 1.28 -0.07 -0.10 0.00 0.00 174.94 176.46 2k46 h LEU 51 N 7.51 0.08 -1.50 2.97 3.38 -1.92 -3.24 115.31 122.59 2k46 h LEU 51 Ca -0.44 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2k46 h LEU 51 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k46 h LEU 51 CO 0.95 0.56 0.00 0.54 0.09 0.00 0.00 178.44 180.58 2k46 n ARG 52 N -4.79 0.69 -3.81 1.13 5.12 -1.26 -4.71 116.66 109.03 2k46 n ARG 52 Ca -0.08 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.72 2k46 n ARG 52 Cb 0.28 -1.25 -0.11 0.00 -1.16 0.00 0.00 32.46 30.22 2k46 n ARG 52 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2k46 s SER 53 N 0.35 -0.14 0.67 0.55 0.15 -1.22 -4.95 113.70 109.10 2k46 s SER 53 Ca 0.00 0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.68 2k46 s SER 53 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2k46 s SER 53 CO 0.00 -0.22 1.16 0.54 1.20 0.00 0.00 173.24 175.92 2k46 s ASN 54 N -0.57 4.84 0.17 5.45 4.22 -1.26 -4.58 114.94 123.21 2k46 s ASN 54 Ca -0.07 2.20 -0.29 0.00 -2.14 0.00 0.00 52.86 52.56 2k46 s ASN 54 Cb -0.04 -2.57 -0.03 0.00 1.28 0.00 0.00 41.25 39.89 2k46 s ASN 54 CO 0.01 -1.82 1.54 -0.65 -2.04 0.00 0.00 177.10 174.15 2k46 h PRO 55 N 0.14 -0.03 0.43 3.55 0.11 -1.97 1.36 132.00 135.58 2k46 h PRO 55 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2k46 h PRO 55 Cb 1.27 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2k46 h PRO 55 CO 0.53 -0.02 -0.28 1.05 -0.21 0.00 0.00 178.00 179.07 2k46 h GLU 56 N -0.04 -0.66 0.00 1.05 9.09 -2.00 -1.31 114.58 120.72 2k46 h GLU 56 Ca 0.18 0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.63 2k46 h GLU 56 Cb 0.45 0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 2k46 h GLU 56 CO -0.91 -0.44 0.00 -3.47 0.05 0.00 0.00 179.01 174.24 2k46 n ASP 57 N -5.41 0.28 -0.15 3.06 2.03 -0.87 -1.24 116.55 114.25 2k46 n ASP 57 Ca -0.11 0.57 -0.11 0.00 0.52 0.00 0.00 54.79 55.66 2k46 n ASP 57 Cb 0.31 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 2k46 n ASP 57 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2k46 h GLN 58 N 0.00 0.99 -0.25 -0.67 -0.00 0.30 0.26 115.11 115.73 2k46 h GLN 58 Ca 0.00 -0.43 0.05 0.00 -0.00 0.00 0.00 58.65 58.27 2k46 h GLN 58 Cb 0.28 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.48 27.68 2k46 h GLN 58 CO 0.00 1.11 -0.09 0.28 -0.00 0.00 0.00 178.83 180.13 2k46 h VAL 59 N 0.84 0.69 0.00 1.86 2.07 -0.83 1.27 116.25 122.15 2k46 h VAL 59 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2k46 h VAL 59 Cb 0.82 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2k46 h VAL 59 CO 0.07 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.55 2k46 n LEU 60 N -5.25 0.54 -0.55 2.57 7.94 -0.98 -2.29 117.00 118.98 2k46 n LEU 60 Ca -0.01 0.63 0.07 0.00 -1.11 0.00 0.00 56.01 55.59 2k46 n LEU 60 Cb 0.17 -0.56 0.18 0.00 0.53 0.00 0.00 43.42 43.74 2k46 n LEU 60 CO 0.20 -0.51 0.38 -1.22 -1.11 0.00 0.00 177.39 175.14 2k46 n TYR 61 N -2.10 0.00 0.14 1.96 4.02 0.89 -4.64 117.16 117.43 2k46 n TYR 61 Ca 0.02 -1.29 0.00 0.00 -0.01 0.00 0.00 57.90 56.62 2k46 n TYR 61 Cb 0.22 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2k46 n TYR 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2k46 n GLN 62 N -1.04 0.00 -0.91 -0.72 0.00 0.40 -4.69 117.38 110.42 2k46 n GLN 62 Ca 0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.00 56.88 2k46 n GLN 62 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.95 2k46 n GLN 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2k46 n THR 63 N -3.16 0.35 -4.03 1.69 -2.24 -0.97 -4.89 114.28 101.03 2k46 n THR 63 Ca 0.00 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 2k46 n THR 63 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.71 0.41 0.27 -0.78 4.04 -1.23 -4.04 118.70 116.66 2k46 s GLU 64 Ca 0.42 -0.59 0.01 0.00 0.04 0.00 0.00 54.97 54.85 2k46 s GLU 64 Cb -0.43 -0.16 0.01 0.00 0.02 0.00 0.00 34.13 33.57 2k46 s GLU 64 CO 0.45 0.02 0.12 0.54 -1.84 0.00 0.00 175.26 174.55 2k46 n ARG 65 N 1.80 1.20 -0.88 -4.83 1.74 -1.23 -4.49 116.66 109.97 2k46 n ARG 65 Ca -0.21 -1.82 -0.29 0.00 -0.77 0.00 0.00 57.85 54.76 2k46 n ARG 65 Cb 0.56 0.33 0.22 0.00 -1.02 0.00 0.00 32.46 32.55 2k46 n ARG 65 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2k46 s TYR 66 N -1.63 1.34 0.10 -1.55 5.04 -1.26 -4.89 117.35 114.50 2k46 s TYR 66 Ca 0.09 0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 55.58 2k46 s TYR 66 Cb -0.01 -3.21 -0.02 0.00 0.35 0.00 0.00 41.96 39.07 2k46 s TYR 66 CO 0.06 -3.61 0.12 0.54 -1.34 0.00 0.00 175.55 171.31 2k46 s ASN 67 N -3.20 0.25 0.00 4.32 2.20 -1.26 -5.03 114.94 112.22 2k46 s ASN 67 Ca 0.68 -0.92 0.00 0.00 -0.94 0.00 0.00 52.86 51.68 2k46 s ASN 67 Cb -0.19 0.31 0.00 0.00 -2.00 0.00 0.00 41.25 39.37 2k46 s ASN 67 CO 0.60 -0.72 0.00 1.21 -2.94 0.00 0.00 177.10 175.24 2k46 n GLU 68 N -0.05 0.00 -3.67 3.55 4.07 -1.26 -4.97 120.64 118.31 2k46 n GLU 68 Ca -0.11 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.88 2k46 n GLU 68 Cb 0.62 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.92 2k46 n GLU 68 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2k46 s ASP 69 N 1.24 -0.71 -0.36 4.31 1.01 -1.26 -3.92 116.67 116.98 2k46 s ASP 69 Ca 0.00 1.24 -0.15 0.00 0.71 0.00 0.00 52.55 54.35 2k46 s ASP 69 Cb 0.00 1.18 0.02 0.00 1.01 0.00 0.00 42.92 45.13 2k46 s ASP 69 CO 0.00 -0.22 0.40 -0.24 0.21 0.00 0.00 175.17 175.33 2k46 n SER 70 N 3.62 -7.34 -3.45 0.27 2.88 -1.20 -4.99 113.62 103.40 2k46 n SER 70 Ca -0.18 0.61 -0.11 0.00 -1.33 0.00 0.00 58.87 57.86 2k46 n SER 70 Cb 0.57 -4.22 -0.02 0.00 -0.75 0.00 0.00 64.21 59.78 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 -1.97 -0.47 0.00 0.66 -0.71 -1.10 -4.98 117.98 109.40 2k46 s PHE 71 Ca 0.19 0.32 0.00 0.00 -1.04 0.00 0.00 56.93 56.40 2k46 s PHE 71 Cb -0.04 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 2k46 s PHE 71 CO 0.71 -0.73 0.00 0.41 -1.34 0.00 0.00 175.22 174.27 2k46 n GLY 72 N -0.28 1.41 3.80 1.99 0.00 -1.26 -2.58 105.19 108.27 2k46 n GLY 72 Ca -0.14 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 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 -5.26 2.82 -0.03 1.61 1.51 -0.95 -4.95 117.35 112.11 2k46 s TYR 73 Ca 0.00 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 2k46 s TYR 73 Cb 0.00 -1.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 2k46 s TYR 73 CO 0.00 0.24 -0.20 0.16 -1.11 0.00 0.00 175.55 174.64 2k46 s ASP 74 N -3.94 3.56 -0.19 2.29 -4.77 -1.26 -2.75 116.67 109.61 2k46 s ASP 74 Ca 0.40 -0.34 -0.03 0.00 -3.30 0.00 0.00 52.55 49.27 2k46 s ASP 74 Cb -0.04 -0.59 0.06 0.00 -1.09 0.00 0.00 42.92 41.26 2k46 s ASP 74 CO 0.25 0.33 0.04 -0.63 0.70 0.00 0.00 175.17 175.86 2k46 s ILE 75 N -0.70 0.45 0.05 2.11 1.09 -0.63 -5.00 121.20 118.57 2k46 s ILE 75 Ca 0.11 -0.52 -0.28 0.00 -1.10 0.00 0.00 60.65 58.86 2k46 s ILE 75 Cb -0.10 -0.98 -0.05 0.00 -1.06 0.00 0.00 42.46 40.27 2k46 s ILE 75 CO 0.00 -0.23 0.89 -2.16 -0.10 0.00 0.00 174.94 173.34 2k46 s PRO 76 N 1.89 4.59 0.20 2.79 0.04 -1.26 0.05 135.00 143.30 2k46 s PRO 76 Ca -0.00 1.29 0.11 0.00 0.04 0.00 0.00 61.00 62.43 2k46 s PRO 76 Cb -0.17 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2k46 s PRO 76 CO -0.08 0.16 -0.22 0.42 0.04 0.00 0.00 177.00 177.32 2k46 s ILE 77 N 0.28 2.23 0.00 0.56 1.01 -1.26 -4.94 121.20 119.07 2k46 s ILE 77 Ca 0.45 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 59.05 2k46 s ILE 77 Cb -0.22 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2k46 s ILE 77 CO 0.27 -0.20 0.00 0.29 0.00 0.00 0.00 174.94 175.29 2k46 n LYS 78 N 0.16 0.00 -4.45 2.79 5.02 -1.26 -4.92 118.16 115.50 2k46 n LYS 78 Ca -0.12 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 2k46 n LYS 78 Cb 0.57 -0.38 -0.11 0.00 -0.02 0.00 0.00 35.03 35.09 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 1.64 0.41 1.97 0.41 -1.26 -5.13 118.70 116.74 2k46 s GLU 79 Ca 0.00 -1.90 0.01 0.00 -0.41 0.00 0.00 54.97 52.67 2k46 s GLU 79 Cb 0.00 -0.94 0.01 0.00 -1.78 0.00 0.00 34.13 31.42 2k46 s GLU 79 CO 0.00 -0.14 0.08 0.39 -0.49 0.00 0.00 175.26 175.10 2k46 n GLU 80 N -0.67 0.98 0.00 1.61 4.71 -1.26 -5.01 120.64 121.00 2k46 n GLU 80 Ca -0.03 -2.88 0.00 0.00 -0.01 0.00 0.00 57.16 54.24 2k46 n GLU 80 Cb 0.66 0.66 0.00 0.00 -1.01 0.00 0.00 31.44 31.75 2k46 n GLU 80 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k46 n GLY 81 N 0.10 0.45 3.34 0.62 0.00 -1.06 -4.83 105.19 103.81 2k46 n GLY 81 Ca -0.13 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.68 2.76 -0.16 1.61 2.02 -1.12 -1.76 118.70 121.37 2k46 s GLU 82 Ca 0.00 -1.19 -0.15 0.00 0.02 0.00 0.00 54.97 53.66 2k46 s GLU 82 Cb 0.00 -3.74 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 2k46 s GLU 82 CO 0.00 -0.77 0.33 0.71 0.02 0.00 0.00 175.26 175.55 2k46 s TYR 83 N 1.52 3.46 -0.22 1.61 1.51 -0.63 -0.16 117.35 124.43 2k46 s TYR 83 Ca 0.02 0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 56.72 2k46 s TYR 83 Cb -0.20 -2.39 0.02 0.00 -0.11 0.00 0.00 41.96 39.28 2k46 s TYR 83 CO 0.05 0.21 -0.11 0.08 -1.11 0.00 0.00 175.55 174.67 2k46 s VAL 84 N 0.56 2.59 -0.55 0.71 1.01 -1.05 -0.46 120.40 123.20 2k46 s VAL 84 Ca 0.18 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.95 2k46 s VAL 84 Cb -0.13 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.05 2k46 s VAL 84 CO 0.05 0.33 0.92 -0.76 0.00 0.00 0.00 175.10 175.64 2k46 s LEU 85 N 1.31 4.17 -0.28 3.92 1.43 -1.10 -2.67 118.68 125.46 2k46 s LEU 85 Ca 0.02 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 2k46 s LEU 85 Cb -0.15 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2k46 s LEU 85 CO -0.07 -1.20 0.17 -0.69 0.23 0.00 0.00 176.35 174.79 2k46 s VAL 86 N 3.85 5.08 -0.08 -1.59 1.01 -0.07 -2.54 120.40 126.05 2k46 s VAL 86 Ca 0.29 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 2k46 s VAL 86 Cb -0.13 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.83 2k46 s VAL 86 CO 0.19 0.22 0.21 -1.48 0.00 0.00 0.00 175.10 174.24 2k46 s LEU 87 N 1.72 0.92 -0.17 3.92 2.34 -1.11 -0.54 118.68 125.76 2k46 s LEU 87 Ca 0.07 0.44 -0.07 0.00 0.06 0.00 0.00 54.13 54.62 2k46 s LEU 87 Cb -0.16 0.68 -0.04 0.00 -0.56 0.00 0.00 46.19 46.11 2k46 s LEU 87 CO 0.09 -0.11 0.07 -0.75 -1.06 0.00 0.00 176.35 174.60 2k46 s LYS 88 N 0.57 3.85 0.09 1.48 2.36 -1.18 -2.08 119.74 124.83 2k46 s LYS 88 Ca -0.04 -0.31 0.06 0.00 -2.55 0.00 0.00 55.97 53.13 2k46 s LYS 88 Cb -0.05 -3.19 -0.04 0.00 -1.05 0.00 0.00 37.83 33.49 2k46 s LYS 88 CO -0.03 0.38 -0.07 -0.06 1.55 0.00 0.00 175.35 177.12 2k46 s PHE 89 N 0.08 2.83 0.06 4.03 0.08 -0.58 -0.82 117.98 123.65 2k46 s PHE 89 Ca 0.06 -0.10 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 2k46 s PHE 89 Cb -0.12 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2k46 s PHE 89 CO 0.00 0.44 0.15 0.00 -0.10 0.00 0.00 175.22 175.71 2k46 s ALA 90 N -1.22 -0.16 -0.08 5.36 0.00 -1.15 -2.23 121.76 122.28 2k46 s ALA 90 Ca 0.22 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2k46 s ALA 90 Cb -0.11 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.40 2k46 s ALA 90 CO 0.14 -0.41 0.19 -2.00 0.00 0.00 0.00 175.76 173.68 2k46 s GLU 91 N -3.22 0.15 -0.07 0.00 2.12 -1.26 -2.58 118.70 113.84 2k46 s GLU 91 Ca 0.00 0.42 -0.05 0.00 0.36 0.00 0.00 54.97 55.71 2k46 s GLU 91 Cb 0.02 -0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.28 2k46 s GLU 91 CO -0.07 -0.15 -0.09 0.28 -0.54 0.00 0.00 175.26 174.69 2k46 n VAL 92 N 4.06 0.68 -1.69 3.70 0.31 -1.26 -4.63 118.33 119.50 2k46 n VAL 92 Ca -0.24 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2k46 n VAL 92 Cb 0.53 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2k46 n VAL 92 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2k46 n TYR 93 N -3.39 -1.43 -2.91 3.52 4.01 -1.26 -4.83 117.16 110.86 2k46 n TYR 93 Ca -0.04 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.64 2k46 n TYR 93 Cb 0.13 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2k46 n TYR 93 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2k46 n PHE 94 N -0.58 -2.31 -2.60 -0.72 3.72 -1.26 -4.89 117.46 108.82 2k46 n PHE 94 Ca 0.00 0.84 -0.43 0.00 -0.05 0.00 0.00 57.45 57.81 2k46 n PHE 94 Cb 0.00 -3.81 0.00 0.00 -0.94 0.00 0.00 39.48 34.73 2k46 n PHE 94 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k46 n ALA 95 N -2.35 3.70 -3.52 4.37 0.00 -1.26 -4.88 120.51 116.57 2k46 n ALA 95 Ca -0.03 -3.91 -0.14 0.00 0.00 0.00 0.00 53.44 49.36 2k46 n ALA 95 Cb 0.55 -3.52 -0.08 0.00 0.00 0.00 0.00 19.45 16.41 2k46 n ALA 95 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2k46 s GLN 96 N 3.76 0.73 0.20 0.00 -2.07 -1.26 -5.17 119.66 115.84 2k46 s GLN 96 Ca 0.52 0.82 0.05 0.00 -1.82 0.00 0.00 55.36 54.93 2k46 s GLN 96 Cb 0.03 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2k46 s GLN 96 CO 0.06 -0.10 0.22 0.45 -1.32 0.00 0.00 175.29 174.60 2k46 s SER 97 N 0.25 5.80 -1.47 12.60 0.15 -1.26 -4.42 113.70 125.33 2k46 s SER 97 Ca -0.01 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.56 2k46 s SER 97 Cb -0.04 -1.58 0.01 0.00 -1.71 0.00 0.00 66.02 62.70 2k46 s SER 97 CO 0.01 0.01 0.29 0.00 1.20 0.00 0.00 173.24 174.76 2k46 n GLN 98 N -0.78 -2.44 0.00 5.44 1.13 -1.26 -4.67 117.38 114.79 2k46 n GLN 98 Ca -0.08 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 2k46 n GLN 98 Cb 0.56 -4.23 0.00 0.00 0.11 0.00 0.00 30.24 26.68 2k46 n GLN 98 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2k46 n GLN 99 N -4.46 0.00 -3.22 -1.09 6.02 -1.26 -4.99 117.38 108.38 2k46 n GLN 99 Ca -0.30 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.24 2k46 n GLN 99 Cb 0.68 -0.06 -0.00 0.00 1.02 0.00 0.00 30.24 31.87 2k46 n GLN 99 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2k46 s LYS 100 N -1.62 4.07 -0.12 -1.09 2.47 -1.26 -4.93 119.74 117.26 2k46 s LYS 100 Ca 0.00 -2.89 -0.02 0.00 -1.56 0.00 0.00 55.97 51.50 2k46 s LYS 100 Cb 0.00 -4.68 -0.03 0.00 -1.46 0.00 0.00 37.83 31.66 2k46 s LYS 100 CO 0.00 -1.41 -0.04 0.14 0.16 0.00 0.00 175.35 174.21 2k46 s VAL 101 N -0.17 3.95 0.48 4.02 -7.23 -1.26 -4.05 120.40 116.14 2k46 s VAL 101 Ca 0.32 -0.36 0.04 0.00 -1.81 0.00 0.00 61.98 60.17 2k46 s VAL 101 Cb -0.08 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2k46 s VAL 101 CO -0.06 0.55 0.08 -0.36 -0.31 0.00 0.00 175.10 174.99 2k46 s PHE 102 N -0.24 2.06 -0.02 2.82 0.08 -0.99 -3.50 117.98 118.20 2k46 s PHE 102 Ca 0.04 -0.83 0.06 0.00 0.12 0.00 0.00 56.93 56.32 2k46 s PHE 102 Cb -0.13 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2k46 s PHE 102 CO 0.02 0.18 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.60 2k46 s ASP 103 N -3.90 2.46 -0.02 1.36 1.11 -1.05 -0.42 116.67 116.21 2k46 s ASP 103 Ca 0.20 -0.38 0.00 0.00 0.18 0.00 0.00 52.55 52.55 2k46 s ASP 103 Cb 0.03 -0.27 0.02 0.00 1.07 0.00 0.00 42.92 43.77 2k46 s ASP 103 CO 0.11 0.26 -0.00 -0.69 1.18 0.00 0.00 175.17 176.03 2k46 s VAL 104 N -0.50 0.15 0.10 -1.27 1.01 -0.60 -2.22 120.40 117.07 2k46 s VAL 104 Ca 0.08 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2k46 s VAL 104 Cb -0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2k46 s VAL 104 CO -0.01 0.12 -0.11 0.00 0.00 0.00 0.00 175.10 175.11 2k46 s ARG 105 N 0.83 0.86 -0.13 2.72 1.70 -0.17 -1.77 118.95 123.00 2k46 s ARG 105 Ca -0.08 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.05 2k46 s ARG 105 Cb -0.11 -0.60 0.01 0.00 -0.57 0.00 0.00 34.95 33.68 2k46 s ARG 105 CO -0.02 0.10 -0.20 0.54 -1.08 0.00 0.00 175.30 174.64 2k46 s VAL 106 N -2.31 1.90 -1.19 4.99 0.11 0.58 -2.28 120.40 122.21 2k46 s VAL 106 Ca 0.05 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2k46 s VAL 106 Cb -0.04 -1.69 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 2k46 s VAL 106 CO 0.01 0.52 0.00 -3.20 -3.33 0.00 0.00 175.10 169.10 2k46 n ASN 107 N 4.09 -3.76 0.00 3.54 2.85 0.21 -0.05 115.26 122.15 2k46 n ASN 107 Ca -0.20 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2k46 n ASN 107 Cb 0.51 -3.31 0.00 0.00 1.24 0.00 0.00 39.78 38.23 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 -0.59 1.05 2.90 8.20 0.00 -1.24 -4.82 105.19 110.69 2k46 n GLY 108 Ca -0.14 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 2.12 -0.17 1.61 3.76 0.93 -5.05 115.29 116.48 2k46 s HIS 109 Ca 0.00 -1.56 -0.29 0.00 -0.15 0.00 0.00 55.06 53.06 2k46 s HIS 109 Cb 0.00 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 2k46 s HIS 109 CO 0.00 -0.74 1.73 0.95 -0.85 0.00 0.00 174.74 175.83 2k46 s THR 110 N 1.49 3.53 -0.12 1.30 -4.23 -1.26 -0.30 115.64 116.05 2k46 s THR 110 Ca -0.04 0.60 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 2k46 s THR 110 Cb -0.18 -3.52 -0.11 0.00 1.34 0.00 0.00 72.50 70.02 2k46 s THR 110 CO -0.07 -0.20 -0.04 0.52 -0.54 0.00 0.00 174.62 174.30 2k46 n VAL 111 N 6.35 0.75 -3.82 2.29 0.31 -0.73 -4.84 118.33 118.64 2k46 n VAL 111 Ca 0.20 -0.38 -0.30 0.00 -0.01 0.00 0.00 64.34 63.86 2k46 n VAL 111 Cb 0.44 -0.84 -0.13 0.00 -0.91 0.00 0.00 33.84 32.40 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 -2.26 1.98 -0.83 2.52 1.01 -1.14 -5.02 120.40 116.65 2k46 s VAL 112 Ca -0.11 -2.95 -0.03 0.00 0.00 0.00 0.00 61.98 58.88 2k46 s VAL 112 Cb 0.04 -2.38 0.21 0.00 0.00 0.00 0.00 36.38 34.25 2k46 s VAL 112 CO 0.38 -0.86 0.71 -1.59 0.00 0.00 0.00 175.10 173.74 2k46 s LYS 113 N 0.01 3.15 0.00 2.72 -2.85 -1.26 -1.56 119.74 119.95 2k46 s LYS 113 Ca 0.18 -3.05 0.00 0.00 -1.00 0.00 0.00 55.97 52.10 2k46 s LYS 113 Cb -0.24 -3.95 0.00 0.00 -2.06 0.00 0.00 37.83 31.58 2k46 s LYS 113 CO -0.00 -1.24 0.00 -0.40 0.10 0.00 0.00 175.35 173.80 2k46 n ASP 114 N 2.72 0.00 -4.57 0.03 5.68 0.44 -4.95 116.55 115.89 2k46 n ASP 114 Ca 0.18 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.25 2k46 n ASP 114 Cb 0.38 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 2k46 n ASP 114 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2k46 s LEU 115 N 0.00 2.91 -1.12 -2.12 1.43 -0.38 -4.57 118.68 114.83 2k46 s LEU 115 Ca 0.00 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 2k46 s LEU 115 Cb 0.00 -2.57 0.26 0.00 0.03 0.00 0.00 46.19 43.91 2k46 s LEU 115 CO 0.00 -3.49 1.15 1.51 0.23 0.00 0.00 176.35 175.75 2k46 s ASP 116 N 8.47 7.28 0.35 2.29 1.47 -1.26 -2.34 116.67 132.93 2k46 s ASP 116 Ca 0.77 -3.49 0.12 0.00 1.18 0.00 0.00 52.55 51.13 2k46 s ASP 116 Cb -0.07 -2.24 0.92 0.00 -0.34 0.00 0.00 42.92 41.19 2k46 s ASP 116 CO 0.08 -0.36 1.77 0.40 0.68 0.00 0.00 175.17 177.74 2k46 h ILE 117 N 3.84 0.60 -0.27 2.11 2.04 -1.88 -0.31 117.51 123.65 2k46 h ILE 117 Ca 0.20 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2k46 h ILE 117 Cb 0.88 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2k46 h ILE 117 CO 1.04 0.10 0.10 0.15 0.00 0.00 0.00 178.15 179.55 2k46 h PHE 118 N 0.57 0.41 0.00 1.37 3.57 -1.87 -2.70 116.94 118.29 2k46 h PHE 118 Ca 0.59 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.97 2k46 h PHE 118 Cb 1.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2k46 h PHE 118 CO -0.00 0.42 -0.41 0.22 -2.23 0.00 0.00 178.31 176.30 2k46 h ASP 119 N 0.28 0.00 0.77 0.41 3.58 -1.38 0.30 116.42 120.39 2k46 h ASP 119 Ca 0.09 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2k46 h ASP 119 Cb 0.18 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.24 2k46 h ASP 119 CO -0.01 0.41 -0.37 0.03 -2.88 0.00 0.00 179.24 176.42 2k46 h ARG 120 N 0.00 -1.00 0.00 0.28 2.47 -0.81 -3.38 114.38 111.94 2k46 h ARG 120 Ca -0.00 0.07 -0.39 0.00 -1.26 0.00 0.00 59.98 58.39 2k46 h ARG 120 Cb 0.83 0.23 -0.07 0.00 -1.65 0.00 0.00 29.97 29.31 2k46 h ARG 120 CO 0.05 -0.65 -2.48 1.33 0.56 0.00 0.00 179.97 178.79 2k46 n VAL 121 N -5.51 1.48 0.00 2.04 0.24 -1.09 -5.07 118.33 110.42 2k46 n VAL 121 Ca -0.14 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 2k46 n VAL 121 Cb 0.42 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 2k46 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k46 n GLY 122 N 2.20 1.84 3.21 7.63 0.00 0.11 -4.96 105.19 115.22 2k46 n GLY 122 Ca -0.46 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 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 3.24 0.00 1.61 3.76 -1.26 -4.77 115.29 117.88 2k46 s HIS 123 Ca 0.00 -1.68 0.00 0.00 -0.15 0.00 0.00 55.06 53.23 2k46 s HIS 123 Cb 0.00 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.53 2k46 s HIS 123 CO 0.00 -0.77 0.00 -1.13 -0.85 0.00 0.00 174.74 171.99 2k46 n SER 124 N 4.69 0.00 -0.36 1.40 3.41 -1.26 -4.90 113.62 116.60 2k46 n SER 124 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2k46 n SER 124 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2k46 n SER 124 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2k46 n THR 125 N 0.00 0.00 -4.89 6.66 -2.24 -1.26 -4.76 114.28 107.79 2k46 n THR 125 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2k46 n THR 125 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.55 2.65 -0.01 6.98 0.00 -1.26 -4.79 121.76 123.79 2k46 s ALA 126 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2k46 s ALA 126 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2k46 s ALA 126 CO 0.00 0.53 0.06 -1.58 0.00 0.00 0.00 175.76 174.77 2k46 s HIS 127 N -0.63 3.23 -0.07 0.00 2.46 -0.95 -4.92 115.29 114.40 2k46 s HIS 127 Ca 0.09 0.17 -0.03 0.00 0.47 0.00 0.00 55.06 55.77 2k46 s HIS 127 Cb -0.11 -1.72 0.04 0.00 -0.13 0.00 0.00 32.58 30.66 2k46 s HIS 127 CO 0.01 0.53 0.16 0.34 -2.47 0.00 0.00 174.74 173.31 2k46 s ASP 128 N -1.67 0.13 -0.13 9.88 -1.08 -1.26 -1.53 116.67 121.01 2k46 s ASP 128 Ca 0.22 0.33 0.01 0.00 -0.52 0.00 0.00 52.55 52.59 2k46 s ASP 128 Cb -0.12 0.24 -0.00 0.00 -1.46 0.00 0.00 42.92 41.58 2k46 s ASP 128 CO 0.13 -0.18 -0.18 -1.61 0.52 0.00 0.00 175.17 173.85 2k46 s GLU 129 N 1.53 3.20 -0.18 4.34 0.41 -0.88 -5.02 118.70 122.08 2k46 s GLU 129 Ca -0.05 -0.78 -0.01 0.00 -0.41 0.00 0.00 54.97 53.72 2k46 s GLU 129 Cb -0.12 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.72 2k46 s GLU 129 CO -0.06 0.11 -0.14 0.42 -0.49 0.00 0.00 175.26 175.10 2k46 s ILE 130 N 0.56 2.64 -0.48 -1.63 1.01 -1.26 -2.75 121.20 119.30 2k46 s ILE 130 Ca -0.11 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.82 2k46 s ILE 130 Cb -0.16 -2.14 0.13 0.00 0.01 0.00 0.00 42.46 40.30 2k46 s ILE 130 CO 0.04 0.50 0.25 -0.63 0.00 0.00 0.00 174.94 175.09 2k46 s ILE 131 N 1.19 2.00 0.61 2.92 -1.09 -1.05 -4.98 121.20 120.80 2k46 s ILE 131 Ca 0.02 -2.93 -0.19 0.00 -2.23 0.00 0.00 60.65 55.32 2k46 s ILE 131 Cb -0.14 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 2k46 s ILE 131 CO -0.06 -0.84 1.26 -2.84 -1.23 0.00 0.00 174.94 171.22 2k46 s PRO 132 N 0.04 2.80 0.05 2.79 0.02 -1.26 -2.69 135.00 136.75 2k46 s PRO 132 Ca 0.17 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.09 2k46 s PRO 132 Cb -0.25 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.34 2k46 s PRO 132 CO 0.00 -1.37 0.11 0.42 -0.33 0.00 0.00 177.00 175.82 2k46 s ILE 133 N -1.48 0.15 -0.20 2.83 1.01 0.39 -4.38 121.20 119.51 2k46 s ILE 133 Ca 0.79 -1.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 2k46 s ILE 133 Cb -0.34 -1.10 0.06 0.00 0.01 0.00 0.00 42.46 41.08 2k46 s ILE 133 CO 0.37 -0.67 0.02 -0.55 0.00 0.00 0.00 174.94 174.11 2k46 s SER 134 N -2.42 3.04 -0.11 3.58 0.15 -1.11 -1.61 113.70 115.22 2k46 s SER 134 Ca -0.01 -0.87 -0.03 0.00 0.70 0.00 0.00 55.95 55.75 2k46 s SER 134 Cb 0.02 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.60 2k46 s SER 134 CO -0.07 -0.29 0.01 -0.63 1.20 0.00 0.00 173.24 173.46 2k46 s ILE 135 N 1.78 4.35 -0.09 6.45 1.01 -0.72 -1.94 121.20 132.03 2k46 s ILE 135 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 2k46 s ILE 135 Cb -0.17 -2.86 0.04 0.00 0.01 0.00 0.00 42.46 39.48 2k46 s ILE 135 CO -0.08 0.57 0.21 -0.54 0.00 0.00 0.00 174.94 175.10 2k46 s LYS 136 N -0.55 0.16 -1.51 2.79 -0.14 -0.88 -2.57 119.74 117.05 2k46 s LYS 136 Ca 0.09 0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 2k46 s LYS 136 Cb -0.12 -0.14 0.00 0.00 -1.68 0.00 0.00 37.83 35.89 2k46 s LYS 136 CO 0.02 -0.16 0.00 1.63 -0.76 0.00 0.00 175.35 176.08 2k46 n LYS 137 N 4.18 -1.41 -0.33 1.68 4.01 -1.26 -0.46 118.16 124.57 2k46 n LYS 137 Ca -0.25 0.88 0.00 0.00 -0.51 0.00 0.00 58.31 58.42 2k46 n LYS 137 Cb 0.53 -5.14 0.00 0.00 -0.51 0.00 0.00 35.03 29.91 2k46 n LYS 137 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k46 n GLY 138 N -0.19 1.20 3.66 0.72 0.00 -1.26 -5.05 105.19 104.27 2k46 n GLY 138 Ca -0.14 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 2k46 n GLY 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k46 s LYS 139 N -1.02 2.37 -0.11 1.61 2.47 0.39 -1.25 119.74 124.21 2k46 s LYS 139 Ca 0.00 -1.21 0.02 0.00 -1.56 0.00 0.00 55.97 53.22 2k46 s LYS 139 Cb 0.00 -2.29 0.01 0.00 -1.46 0.00 0.00 37.83 34.09 2k46 s LYS 139 CO 0.00 0.42 -0.16 -1.17 0.16 0.00 0.00 175.35 174.60 2k46 s LEU 140 N -3.21 1.78 -0.30 5.43 0.20 0.47 -2.06 118.68 120.99 2k46 s LEU 140 Ca 0.29 -0.45 -0.01 0.00 0.69 0.00 0.00 54.13 54.65 2k46 s LEU 140 Cb -0.08 -1.13 0.06 0.00 -0.43 0.00 0.00 46.19 44.60 2k46 s LEU 140 CO 0.19 0.03 -0.01 -0.55 -0.29 0.00 0.00 176.35 175.72 2k46 s SER 141 N 0.90 4.82 -0.52 3.68 0.15 -0.82 -0.71 113.70 121.20 2k46 s SER 141 Ca -0.08 -1.36 -0.13 0.00 0.70 0.00 0.00 55.95 55.08 2k46 s SER 141 Cb -0.15 -1.68 0.13 0.00 -1.71 0.00 0.00 66.02 62.60 2k46 s SER 141 CO -0.01 -0.26 0.44 0.54 1.20 0.00 0.00 173.24 175.16 2k46 s VAL 142 N 1.21 4.80 0.00 4.45 0.11 -0.27 -2.74 120.40 127.95 2k46 s VAL 142 Ca -0.05 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.33 2k46 s VAL 142 Cb -0.20 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 30.55 2k46 s VAL 142 CO -0.02 -0.84 0.00 0.00 -3.33 0.00 0.00 175.10 170.91 2k46 n GLN 143 N 5.05 0.00 -1.12 1.54 3.00 -1.26 -1.72 117.38 122.87 2k46 n GLN 143 Ca -0.10 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.93 2k46 n GLN 143 Cb 0.40 0.00 0.09 0.00 0.00 0.00 0.00 30.24 30.74 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 2.57 2.93 1.08 0.00 -1.26 -5.05 105.19 105.46 2k46 n GLY 144 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 2k46 n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k46 s GLU 145 N -1.24 0.58 -0.13 1.61 2.12 -0.70 -5.14 118.70 115.80 2k46 s GLU 145 Ca 0.35 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.47 2k46 s GLU 145 Cb 0.37 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 2k46 s GLU 145 CO -0.13 0.04 0.04 0.54 -0.54 0.00 0.00 175.26 175.22 2k46 s VAL 146 N 0.30 4.64 -0.29 3.70 0.11 -1.26 -1.11 120.40 126.49 2k46 s VAL 146 Ca -0.03 -0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 58.75 2k46 s VAL 146 Cb -0.07 -3.02 0.11 0.00 -1.53 0.00 0.00 36.38 31.87 2k46 s VAL 146 CO -0.00 0.55 0.82 -0.44 -3.33 0.00 0.00 175.10 172.70 2k46 s SER 147 N -0.35 -0.75 0.46 3.54 0.01 0.11 -5.02 113.70 111.70 2k46 s SER 147 Ca 0.08 1.18 -0.23 0.00 1.31 0.00 0.00 55.95 58.30 2k46 s SER 147 Cb -0.12 1.36 -0.09 0.00 0.21 0.00 0.00 66.02 67.37 2k46 s SER 147 CO 0.02 -0.19 0.99 1.07 0.41 0.00 0.00 173.24 175.54 2k46 n THR 148 N 4.12 2.65 -2.60 1.44 5.66 -1.26 -0.40 114.28 123.89 2k46 n THR 148 Ca -0.19 -0.50 -0.43 0.00 -3.05 0.00 0.00 64.05 59.89 2k46 n THR 148 Cb 0.58 -1.15 -0.02 0.00 -1.55 0.00 0.00 70.33 68.18 2k46 n THR 148 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2k46 s PHE 149 N -1.34 3.27 0.97 1.09 5.36 -0.38 -4.56 117.98 122.39 2k46 s PHE 149 Ca 0.65 1.39 -0.15 0.00 -0.96 0.00 0.00 56.93 57.87 2k46 s PHE 149 Cb -0.52 -3.31 0.18 0.00 -0.34 0.00 0.00 43.02 39.02 2k46 s PHE 149 CO 0.55 -0.72 1.19 0.95 -1.46 0.00 0.00 175.22 175.73 2k46 s THR 150 N 2.90 1.93 -0.83 0.12 -4.23 -1.26 -4.86 115.64 109.41 2k46 s THR 150 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2k46 s THR 150 Cb -0.18 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.86 2k46 s THR 150 CO 0.12 0.00 0.81 0.61 -0.54 0.00 0.00 174.62 175.62 2k46 n GLY 151 N -2.58 -0.33 3.50 3.99 0.00 -1.26 -4.63 105.19 103.88 2k46 n GLY 151 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2k46 n GLY 151 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k46 s LYS 152 N -2.62 1.07 -0.02 1.61 2.36 -1.26 -4.26 119.74 116.63 2k46 s LYS 152 Ca 0.00 0.10 -0.29 0.00 -2.55 0.00 0.00 55.97 53.23 2k46 s LYS 152 Cb 0.00 0.50 -0.03 0.00 -1.05 0.00 0.00 37.83 37.25 2k46 s LYS 152 CO 0.00 -0.37 0.94 -1.17 1.55 0.00 0.00 175.35 176.31 2k46 s LEU 153 N -1.51 4.35 -0.16 5.43 1.98 0.11 -4.88 118.68 124.00 2k46 s LEU 153 Ca -0.08 1.59 0.01 0.00 -2.89 0.00 0.00 54.13 52.76 2k46 s LEU 153 Cb -0.00 -3.50 0.02 0.00 0.66 0.00 0.00 46.19 43.36 2k46 s LEU 153 CO 0.05 -0.26 -0.18 -0.55 -1.89 0.00 0.00 176.35 173.52 2k46 s SER 154 N 0.99 2.93 -0.47 3.68 0.15 -1.26 -1.61 113.70 118.12 2k46 s SER 154 Ca 0.50 -0.58 -0.10 0.00 0.70 0.00 0.00 55.95 56.47 2k46 s SER 154 Cb -0.20 -1.35 0.11 0.00 -1.71 0.00 0.00 66.02 62.87 2k46 s SER 154 CO 0.26 -0.01 0.34 -0.69 1.20 0.00 0.00 173.24 174.34 2k46 s VAL 155 N 1.30 4.31 0.13 4.45 1.01 -1.11 0.65 120.40 131.15 2k46 s VAL 155 Ca 0.03 -1.67 0.09 0.00 0.00 0.00 0.00 61.98 60.44 2k46 s VAL 155 Cb -0.13 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2k46 s VAL 155 CO -0.11 -0.72 -0.19 -1.61 0.00 0.00 0.00 175.10 172.47 2k46 s GLU 156 N 1.40 1.75 -0.00 2.72 8.01 -0.96 -2.24 118.70 129.37 2k46 s GLU 156 Ca 0.05 -1.22 0.02 0.00 0.01 0.00 0.00 54.97 53.83 2k46 s GLU 156 Cb -0.26 -2.09 -0.00 0.00 -4.31 0.00 0.00 34.13 27.47 2k46 s GLU 156 CO 0.00 0.47 -0.06 -0.59 0.01 0.00 0.00 175.26 175.10 2k46 s PHE 157 N -1.20 0.52 0.02 1.61 -0.71 -1.07 -1.00 117.98 116.16 2k46 s PHE 157 Ca 0.18 -0.10 0.06 0.00 -1.04 0.00 0.00 56.93 56.03 2k46 s PHE 157 Cb -0.10 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.35 2k46 s PHE 157 CO 0.10 -0.01 -0.17 0.08 -1.34 0.00 0.00 175.22 173.88 2k46 s VAL 158 N -0.15 2.85 0.34 -2.49 1.01 -0.94 -2.72 120.40 118.31 2k46 s VAL 158 Ca 0.02 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 2k46 s VAL 158 Cb -0.02 -2.18 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 2k46 s VAL 158 CO -0.00 0.39 1.41 -1.59 0.00 0.00 0.00 175.10 175.31 2k46 s LYS 159 N -1.29 4.23 0.00 2.72 -2.85 -1.26 -2.53 119.74 118.75 2k46 s LYS 159 Ca 0.14 2.40 0.13 0.00 -1.00 0.00 0.00 55.97 57.64 2k46 s LYS 159 Cb -0.11 -3.03 -0.01 0.00 -2.06 0.00 0.00 37.83 32.63 2k46 s LYS 159 CO 0.04 -0.38 0.74 0.41 0.10 0.00 0.00 175.35 176.27 2k46 n GLY 160 N 0.80 -0.10 1.06 0.59 0.00 -1.23 -4.87 105.19 101.44 2k46 n GLY 160 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.21 -2.32 -3.64 1.61 9.36 -1.26 -4.80 117.16 115.89 2k46 n TYR 161 Ca 0.05 0.38 -0.03 0.00 3.32 0.00 0.00 57.90 61.63 2k46 n TYR 161 Cb 0.27 1.18 -0.04 0.00 -0.63 0.00 0.00 39.34 40.12 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 -2.00 -0.06 -0.29 2.98 5.04 -1.26 -5.09 117.35 116.67 2k46 s TYR 162 Ca 0.00 0.10 -0.05 0.00 -2.44 0.00 0.00 57.07 54.68 2k46 s TYR 162 Cb 0.00 0.49 0.01 0.00 0.35 0.00 0.00 41.96 42.81 2k46 s TYR 162 CO 0.00 -0.05 0.15 -0.25 -1.34 0.00 0.00 175.55 174.06 2k46 n ASP 163 N 0.64 -7.68 -4.36 4.32 8.00 -1.26 -4.95 116.55 111.27 2k46 n ASP 163 Ca -0.02 1.02 -0.32 0.00 0.71 0.00 0.00 54.79 56.19 2k46 n ASP 163 Cb 0.59 -4.59 0.17 0.00 -0.02 0.00 0.00 41.12 37.27 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 0.55 -2.11 -3.46 -2.24 3.02 -1.25 -4.56 115.26 105.22 2k46 n ASN 164 Ca 0.02 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 2k46 n ASN 164 Cb 0.20 -1.09 -0.11 0.00 -0.61 0.00 0.00 39.78 38.18 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 -2.39 0.00 0.19 3.52 -0.02 -1.26 -4.81 135.00 130.23 2k46 n PRO 165 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 2k46 n PRO 165 Cb 0.58 -1.18 -0.07 0.00 -0.02 0.00 0.00 33.50 32.81 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 8.35 -0.49 -5.53 -0.52 3.64 -1.80 -3.42 116.57 116.78 2k46 h LYS 166 Ca -0.06 0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.71 2k46 h LYS 166 Cb 1.07 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 2k46 h LYS 166 CO 0.98 -0.33 -0.56 0.08 -2.27 0.00 0.00 179.45 177.36 2k46 s VAL 167 N -6.09 4.85 -0.01 2.00 1.01 -1.06 -4.21 120.40 116.88 2k46 s VAL 167 Ca -0.16 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2k46 s VAL 167 Cb 0.06 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2k46 s VAL 167 CO 0.64 0.53 -0.11 0.00 0.00 0.00 0.00 175.10 176.17 2k46 n ALA 169 N 2.93 3.51 -1.21 0.00 0.00 -0.00 -0.68 120.51 125.04 2k46 n ALA 169 Ca -0.15 -3.10 -0.44 0.00 0.00 0.00 0.00 53.44 49.75 2k46 n ALA 169 Cb 0.56 -0.57 -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 -0.52 -0.72 -3.23 0.00 -0.00 0.21 -3.10 117.00 109.63 2k46 n LEU 170 Ca 0.21 0.97 -0.03 0.00 -0.00 0.00 0.00 56.01 57.16 2k46 n LEU 170 Cb 0.90 -0.80 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 2k46 n LEU 170 CO 0.13 -2.24 0.02 0.12 -0.00 0.00 0.00 177.39 175.42 2k46 s PHE 171 N -0.58 -1.43 -0.22 1.96 5.36 0.29 -0.74 117.98 122.63 2k46 s PHE 171 Ca 0.62 0.44 -0.10 0.00 -0.96 0.00 0.00 56.93 56.92 2k46 s PHE 171 Cb -0.88 0.11 -0.05 0.00 -0.34 0.00 0.00 43.02 41.86 2k46 s PHE 171 CO 0.48 -1.08 0.15 -1.50 -1.46 0.00 0.00 175.22 171.81 2k46 s ILE 172 N 2.32 5.38 0.29 3.12 2.07 0.20 -0.89 121.20 133.70 2k46 s ILE 172 Ca 0.12 0.19 0.11 0.00 -1.41 0.00 0.00 60.65 59.67 2k46 s ILE 172 Cb -0.10 -3.49 -0.05 0.00 0.13 0.00 0.00 42.46 38.95 2k46 s ILE 172 CO -0.19 0.39 -0.17 0.00 -1.91 0.00 0.00 174.94 173.06 2k46 s MET 173 N 0.69 1.70 -0.03 3.50 0.00 -1.09 -2.92 119.30 121.14 2k46 s MET 173 Ca 0.08 -1.80 0.07 0.00 0.00 0.00 0.00 55.69 54.04 2k46 s MET 173 Cb -0.12 -1.71 -0.02 0.00 0.00 0.00 0.00 34.83 32.98 2k46 s MET 173 CO 0.01 0.27 -0.25 0.21 0.00 0.00 0.00 175.02 175.26 2k46 s LYS 174 N -3.55 2.16 0.00 3.16 2.20 -1.12 -2.53 119.74 120.06 2k46 s LYS 174 Ca 0.30 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 2k46 s LYS 174 Cb -0.03 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 2k46 s LYS 174 CO 0.15 0.51 0.00 0.41 -0.36 0.00 0.00 175.35 176.06 2k46 n GLY 175 N 2.55 2.80 0.00 5.54 0.00 0.77 -4.77 105.19 112.08 2k46 n GLY 175 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.09 2.61 -2.24 0.21 -2.79 114.28 112.17 2k46 n THR 176 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2k46 n THR 176 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.66 -0.06 6.98 0.00 -1.95 -3.32 119.26 121.56 2k46 h ALA 177 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2k46 h ALA 177 Cb 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k46 h ALA 177 CO 0.00 0.67 0.04 -0.44 0.00 0.00 0.00 179.25 179.52 2k46 h ASP 178 N 0.00 0.07 -0.48 0.00 5.19 -1.99 -2.32 116.42 116.90 2k46 h ASP 178 Ca -0.07 -0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.42 2k46 h ASP 178 Cb 1.42 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 40.85 2k46 h ASP 178 CO 0.05 0.05 0.09 0.44 -3.12 0.00 0.00 179.24 176.75 2k46 h ASP 179 N 0.09 -0.02 0.00 6.45 3.32 -1.98 -3.41 116.42 120.87 2k46 h ASP 179 Ca 0.02 0.09 -0.50 0.00 0.02 0.00 0.00 57.03 56.66 2k46 h ASP 179 Cb -0.01 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.58 2k46 h ASP 179 CO -0.00 0.02 1.71 0.52 -1.72 0.00 0.00 179.24 179.77 2k46 n VAL 180 N -5.12 0.00 -1.61 -1.35 0.31 -0.87 -4.82 118.33 104.86 2k46 n VAL 180 Ca 0.05 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.93 2k46 n VAL 180 Cb 0.23 -0.49 -0.02 0.00 -0.91 0.00 0.00 33.84 32.66 2k46 n VAL 180 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k46 n PRO 181 N 8.31 1.53 -4.33 5.55 -0.02 -1.26 -5.01 135.00 139.78 2k46 n PRO 181 Ca 0.64 0.54 -0.18 0.00 -2.02 0.00 0.00 63.50 62.48 2k46 n PRO 181 Cb 0.03 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 2k46 n PRO 181 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2k46 s MET 182 N -1.49 0.72 -0.21 -0.52 -1.94 -1.26 -5.11 119.30 109.49 2k46 s MET 182 Ca 0.59 -0.41 -0.29 0.00 -1.71 0.00 0.00 55.69 53.87 2k46 s MET 182 Cb -0.68 -0.69 -0.01 0.00 2.01 0.00 0.00 34.83 35.46 2k46 s MET 182 CO 0.59 0.18 1.31 -0.51 -0.01 0.00 0.00 175.02 176.59 2k46 s LEU 183 N -0.44 4.07 0.46 -0.03 2.01 -1.26 -4.99 118.68 118.51 2k46 s LEU 183 Ca 0.02 1.55 -0.23 0.00 0.01 0.00 0.00 54.13 55.48 2k46 s LEU 183 Cb -0.04 -3.54 -0.09 0.00 0.01 0.00 0.00 46.19 42.52 2k46 s LEU 183 CO -0.00 -0.90 1.02 0.00 1.01 0.00 0.00 176.35 177.48 2k46 n GLN 184 N 6.92 1.31 -1.94 1.70 10.64 -1.26 -4.86 117.38 129.89 2k46 n GLN 184 Ca 0.15 0.48 -0.42 0.00 -1.83 0.00 0.00 57.00 55.37 2k46 n GLN 184 Cb 0.45 -2.10 -0.03 0.00 -0.86 0.00 0.00 30.24 27.71 2k46 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2k46 s PRO 185 N -2.18 4.20 -0.02 2.61 0.04 -1.26 -5.01 135.00 133.38 2k46 s PRO 185 Ca 0.65 2.30 0.02 0.00 0.04 0.00 0.00 61.00 64.01 2k46 s PRO 185 Cb -0.52 -3.68 0.01 0.00 0.04 0.00 0.00 34.50 30.35 2k46 s PRO 185 CO 0.55 -0.75 -0.05 -1.58 0.04 0.00 0.00 177.00 175.21 2k46 s HIS 186 N 2.90 0.62 0.17 0.56 2.46 -1.26 -5.05 115.29 115.69 2k46 s HIS 186 Ca 0.74 -0.14 -0.04 0.00 0.47 0.00 0.00 55.06 56.09 2k46 s HIS 186 Cb -0.38 -0.49 0.04 0.00 -0.13 0.00 0.00 32.58 31.62 2k46 s HIS 186 CO 0.32 -0.09 1.44 -1.00 -2.47 0.00 0.00 174.74 172.94 2k46 h PRO 187 N 6.55 0.53 0.00 2.88 0.13 -1.98 -3.46 132.00 136.65 2k46 h PRO 187 Ca -0.34 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2k46 h PRO 187 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k46 h PRO 187 CO 0.49 1.02 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 2k46 n GLY 188 N 0.46 0.84 3.85 1.56 0.00 -1.26 -5.08 105.19 105.56 2k46 n GLY 188 Ca -0.04 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 3.88 0.00 0.99 1.43 -1.26 -5.20 118.68 118.52 2k46 s LEU 189 Ca 0.00 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2k46 s LEU 189 Cb 0.00 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2k46 s LEU 189 CO 0.00 -0.36 0.00 -0.62 0.23 0.00 0.00 176.35 175.60