#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3j n ALA 2 N 0.00 0.00 0.33 -5.12 0.00 -1.26 -4.80 120.51 109.66 2f3j n ALA 2 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2f3j n ALA 2 Cb 0.00 -0.98 0.11 0.00 0.00 0.00 0.00 19.45 18.57 2f3j n ALA 2 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2f3j h ASP 3 N 0.00 0.00 -0.08 0.00 3.58 -2.05 -3.21 116.42 114.67 2f3j h ASP 3 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2f3j h ASP 3 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2f3j h ASP 3 CO 0.00 0.04 0.00 0.29 -2.88 0.00 0.00 179.24 176.69 2f3j n LYS 4 N -2.49 1.33 -0.03 0.28 5.02 -1.26 -4.05 118.16 116.97 2f3j n LYS 4 Ca 0.02 -0.34 -0.13 0.00 -2.02 0.00 0.00 58.31 55.84 2f3j n LYS 4 Cb 0.50 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 2f3j n LYS 4 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2f3j h MET 5 N 0.48 0.03 0.00 1.97 4.05 -1.96 -3.05 114.93 116.46 2f3j h MET 5 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2f3j h MET 5 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2f3j h MET 5 CO 0.03 0.60 -0.09 -0.44 0.23 0.00 0.00 176.91 177.25 2f3j h ASP 6 N -0.53 0.00 0.00 1.39 5.19 -1.86 -3.48 116.42 117.13 2f3j h ASP 6 Ca 0.00 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2f3j h ASP 6 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2f3j h ASP 6 CO 0.00 0.01 0.00 0.23 -3.12 0.00 0.00 179.24 176.37 2f3j n MET 7 N -2.40 0.00 -1.27 3.56 2.81 -1.15 -3.72 117.12 114.95 2f3j n MET 7 Ca 0.05 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.71 2f3j n MET 7 Cb 0.45 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.86 2f3j n MET 7 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2f3j n SER 8 N 5.84 6.39 -0.29 7.83 3.41 -1.26 -4.65 113.62 130.89 2f3j n SER 8 Ca 0.00 -2.74 0.03 0.00 -0.26 0.00 0.00 58.87 55.90 2f3j n SER 8 Cb 0.00 -1.39 0.24 0.00 -0.26 0.00 0.00 64.21 62.80 2f3j n SER 8 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2f3j h LEU 9 N 5.10 0.91 -0.44 1.04 -0.00 -1.92 -0.52 115.31 119.48 2f3j h LEU 9 Ca 0.40 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.25 2f3j h LEU 9 Cb 1.00 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.44 2f3j h LEU 9 CO 0.76 0.60 0.18 -0.78 -0.00 0.00 0.00 178.44 179.21 2f3j h ASP 10 N 1.04 0.60 0.36 0.17 3.58 -1.94 0.19 116.42 120.42 2f3j h ASP 10 Ca 0.36 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 2f3j h ASP 10 Cb 0.12 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2f3j h ASP 10 CO -0.12 0.60 -0.40 -0.78 -2.88 0.00 0.00 179.24 175.65 2f3j h ASP 11 N 0.56 0.06 -0.04 2.28 3.58 -1.69 0.16 116.42 121.34 2f3j h ASP 11 Ca 0.15 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2f3j h ASP 11 Cb 0.18 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2f3j h ASP 11 CO -0.01 0.46 0.00 0.40 -2.88 0.00 0.00 179.24 177.21 2f3j h ILE 12 N 0.05 1.24 -0.69 2.25 2.04 -0.66 0.11 117.51 121.85 2f3j h ILE 12 Ca 0.00 -0.71 0.12 0.00 1.00 0.00 0.00 64.86 65.27 2f3j h ILE 12 Cb 0.74 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 38.38 2f3j h ILE 12 CO 0.05 0.19 0.27 0.40 0.00 0.00 0.00 178.15 179.07 2f3j h ILE 13 N -0.22 0.72 0.40 -0.67 2.04 -0.52 0.57 117.51 119.83 2f3j h ILE 13 Ca 0.01 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2f3j h ILE 13 Cb 0.30 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2f3j h ILE 13 CO 0.00 0.08 -0.43 0.11 0.00 0.00 0.00 178.15 177.92 2f3j h LYS 14 N 0.45 -0.82 0.00 2.37 1.79 -0.46 -1.55 116.57 118.34 2f3j h LYS 14 Ca 0.36 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2f3j h LYS 14 Cb 0.49 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2f3j h LYS 14 CO -0.35 -0.55 0.00 1.25 -1.08 0.00 0.00 179.45 178.72 2f3j h LEU 15 N -0.85 0.00 0.43 2.94 5.85 -0.22 0.23 115.31 123.69 2f3j h LEU 15 Ca -0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2f3j h LEU 15 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2f3j h LEU 15 CO -0.08 0.00 -0.21 0.78 -0.34 0.00 0.00 178.44 178.59 2f3j h ASN 16 N 0.00 -0.49 0.85 1.25 2.35 0.74 -0.93 115.58 119.36 2f3j h ASN 16 Ca 0.00 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.57 2f3j h ASN 16 Cb 0.27 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2f3j h ASN 16 CO 0.00 -0.07 -0.41 0.08 -1.65 0.00 0.00 177.43 175.38 2f3j h ARG 17 N -1.02 0.00 -0.80 0.81 0.11 -1.06 -2.56 114.38 109.86 2f3j h ARG 17 Ca -0.06 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.86 2f3j h ARG 17 Cb 0.55 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.53 2f3j h ARG 17 CO 0.10 0.41 0.20 -1.71 0.10 0.00 0.00 179.97 179.07 2f3j n ASN 18 N -3.55 4.31 0.21 0.08 5.15 0.77 -4.08 115.26 118.16 2f3j n ASN 18 Ca -0.00 -2.94 0.05 0.00 -0.60 0.00 0.00 54.58 51.09 2f3j n ASN 18 Cb 0.54 -0.69 0.46 0.00 -0.53 0.00 0.00 39.78 39.55 2f3j n ASN 18 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2f3j h GLN 19 N 2.25 0.00 -6.31 1.20 4.15 -0.72 -2.93 115.11 112.75 2f3j h GLN 19 Ca 0.19 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 59.05 2f3j h GLN 19 Cb 1.99 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.64 2f3j h GLN 19 CO 0.58 0.28 0.01 1.03 -1.93 0.00 0.00 178.83 178.80 2f3j s ARG 20 N -4.25 4.28 0.00 1.69 3.00 -1.26 -4.25 118.95 118.16 2f3j s ARG 20 Ca -0.03 0.83 0.00 0.00 0.00 0.00 0.00 55.73 56.53 2f3j s ARG 20 Cb 0.14 -3.22 0.00 0.00 0.00 0.00 0.00 34.95 31.87 2f3j s ARG 20 CO 0.69 0.61 0.00 0.54 0.00 0.00 0.00 175.30 177.14 2f3j n ARG 21 N 1.63 0.00 -0.40 3.54 3.00 -1.26 -4.84 116.66 118.34 2f3j n ARG 21 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.75 2f3j n ARG 21 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 2f3j n ARG 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2f3j n VAL 22 N 0.00 -1.99 -2.65 1.55 0.31 -1.11 -4.74 118.33 109.71 2f3j n VAL 22 Ca 0.00 0.58 -0.42 0.00 -0.01 0.00 0.00 64.34 64.49 2f3j n VAL 22 Cb 0.00 -0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 32.10 2f3j n VAL 22 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2f3j s ASN 23 N -2.44 6.61 -0.26 4.52 3.84 -1.26 -4.90 114.94 121.05 2f3j s ASN 23 Ca 0.00 -1.80 -0.25 0.00 0.21 0.00 0.00 52.86 51.02 2f3j s ASN 23 Cb 0.00 -2.53 0.10 0.00 -0.55 0.00 0.00 41.25 38.27 2f3j s ASN 23 CO 0.00 -1.34 0.88 -0.60 -2.79 0.00 0.00 177.10 173.26 2f3j s ARG 24 N 4.28 0.67 0.23 0.43 3.52 -1.26 -5.18 118.95 121.64 2f3j s ARG 24 Ca 0.45 0.74 0.05 0.00 -0.13 0.00 0.00 55.73 56.84 2f3j s ARG 24 Cb -0.00 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.70 2f3j s ARG 24 CO -0.06 -0.09 0.20 0.41 -0.81 0.00 0.00 175.30 174.94 2f3j n GLY 25 N 2.31 3.23 3.75 8.12 0.00 -1.26 -5.18 105.19 116.16 2f3j n GLY 25 Ca -0.13 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 43.99 2f3j n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f3j s GLY 26 N -2.61 0.19 -0.49 -0.02 0.00 -1.26 -5.10 107.32 98.03 2f3j s GLY 26 Ca 0.28 -0.56 0.08 0.00 0.00 0.00 0.00 44.72 44.51 2f3j s GLY 26 CO 0.19 -0.31 0.74 0.61 0.00 0.00 0.00 173.10 174.33 2f3j n GLY 27 N -0.44 4.20 0.00 0.20 0.00 -1.26 -4.99 105.19 102.90 2f3j n GLY 27 Ca -0.03 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.81 2f3j n GLY 27 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f3j n PRO 28 N 0.55 0.00 -3.18 1.61 -0.05 -1.26 -5.02 135.00 127.64 2f3j n PRO 28 Ca 0.27 0.00 -0.06 0.00 -0.05 0.00 0.00 63.50 63.66 2f3j n PRO 28 Cb 0.51 0.00 0.01 0.00 -0.05 0.00 0.00 33.50 33.97 2f3j n PRO 28 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2f3j n ARG 29 N 0.00 -1.49 -1.69 0.54 1.74 -1.26 -4.87 116.66 109.63 2f3j n ARG 29 Ca 0.00 1.29 -0.33 0.00 -0.77 0.00 0.00 57.85 58.04 2f3j n ARG 29 Cb 0.00 -5.42 -0.04 0.00 -1.02 0.00 0.00 32.46 25.98 2f3j n ARG 29 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2f3j n ARG 30 N -2.19 3.54 0.00 5.56 1.74 -1.26 -4.21 116.66 119.85 2f3j n ARG 30 Ca -0.04 -2.80 0.10 0.00 -0.77 0.00 0.00 57.85 54.34 2f3j n ARG 30 Cb 0.54 -2.42 -0.10 0.00 -1.02 0.00 0.00 32.46 29.46 2f3j n ARG 30 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2f3j n ASN 31 N 1.57 1.13 -0.04 0.55 6.94 -1.26 -4.40 115.26 119.75 2f3j n ASN 31 Ca 0.57 -1.07 -0.12 0.00 -0.02 0.00 0.00 54.58 53.94 2f3j n ASN 31 Cb 0.41 0.93 -0.07 0.00 -2.36 0.00 0.00 39.78 38.68 2f3j n ASN 31 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2f3j h ARG 32 N 0.34 0.25 -4.39 -3.83 3.08 -1.98 -3.33 114.38 104.51 2f3j h ARG 32 Ca 0.00 -0.10 -0.64 0.00 0.07 0.00 0.00 59.98 59.31 2f3j h ARG 32 Cb 0.53 -0.01 0.04 0.00 0.08 0.00 0.00 29.97 30.61 2f3j h ARG 32 CO 0.00 0.57 2.35 -0.35 -1.07 0.00 0.00 179.97 181.46 2f3j n PRO 33 N -4.71 1.58 -0.26 0.04 -0.04 -1.26 -4.38 135.00 125.97 2f3j n PRO 33 Ca -0.06 -1.85 0.08 0.00 -0.04 0.00 0.00 63.50 61.64 2f3j n PRO 33 Cb 0.26 -2.90 0.17 0.00 -0.04 0.00 0.00 33.50 30.99 2f3j n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f3j n ALA 34 N 7.23 2.75 0.07 0.55 0.00 -1.25 -4.74 120.51 125.11 2f3j n ALA 34 Ca 0.49 -2.78 -0.10 0.00 0.00 0.00 0.00 53.44 51.05 2f3j n ALA 34 Cb 0.39 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 2f3j n ALA 34 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2f3j h ILE 35 N 0.45 0.70 0.00 0.00 5.03 -1.93 -3.47 117.51 118.29 2f3j h ILE 35 Ca 0.01 -1.06 0.00 0.00 -0.12 0.00 0.00 64.86 63.69 2f3j h ILE 35 Cb 1.07 1.18 0.00 0.00 -3.03 0.00 0.00 36.82 36.04 2f3j h ILE 35 CO 0.04 0.18 0.00 0.00 -0.68 0.00 0.00 178.15 177.69 2f3j n ALA 36 N -2.60 0.00 -2.11 1.87 0.00 -1.26 -0.74 120.51 115.67 2f3j n ALA 36 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2f3j n ALA 36 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 2f3j n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f3j n ARG 37 N 0.00 0.00 0.00 0.00 1.74 -1.26 -5.09 116.66 112.04 2f3j n ARG 37 Ca 0.00 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 2f3j n ARG 37 Cb 0.00 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.22 2f3j n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f3j n GLY 38 N 0.11 1.55 0.53 -0.13 0.00 0.08 -1.91 105.19 105.43 2f3j n GLY 38 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.03 2f3j n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3j n GLY 39 N 0.00 3.43 3.61 -0.02 0.00 -1.26 -4.99 105.19 105.96 2f3j n GLY 39 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 2f3j n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f3j s ARG 40 N -1.76 3.66 -0.64 1.61 0.52 -0.80 -4.14 118.95 117.40 2f3j s ARG 40 Ca 0.26 0.96 -0.07 0.00 -0.52 0.00 0.00 55.73 56.35 2f3j s ARG 40 Cb 0.18 -3.98 0.01 0.00 0.52 0.00 0.00 34.95 31.68 2f3j s ARG 40 CO 0.09 -1.45 0.66 -1.71 0.02 0.00 0.00 175.30 172.91 2f3j n ASN 41 N 8.45 -7.38 0.05 0.23 5.15 -1.26 -4.77 115.26 115.73 2f3j n ASN 41 Ca 0.16 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 2f3j n ASN 41 Cb 0.48 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 2f3j n ASN 41 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2f3j n ARG 42 N -1.32 0.00 0.06 1.20 3.00 -1.26 -4.97 116.66 113.36 2f3j n ARG 42 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 2f3j n ARG 42 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.92 2f3j n ARG 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2f3j h PRO 43 N 0.00 -0.23 -5.70 -0.14 0.11 -1.92 -3.49 132.00 120.62 2f3j h PRO 43 Ca 0.00 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 2f3j h PRO 43 Cb 0.00 0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.16 2f3j h PRO 43 CO 0.00 0.11 -0.43 0.00 -0.21 0.00 0.00 178.00 177.48 2f3j n ALA 44 N -2.64 -2.66 0.27 -0.75 0.00 -1.26 -4.89 120.51 108.56 2f3j n ALA 44 Ca -0.06 0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.74 2f3j n ALA 44 Cb 0.23 -1.98 0.71 0.00 0.00 0.00 0.00 19.45 18.40 2f3j n ALA 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2f3j h PRO 45 N 0.84 0.00 0.00 0.00 0.11 -1.96 -3.45 132.00 127.54 2f3j h PRO 45 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2f3j h PRO 45 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2f3j h PRO 45 CO 0.28 0.04 0.00 0.98 -0.21 0.00 0.00 178.00 179.09 2f3j n TYR 46 N -4.21 0.00 -0.36 0.65 4.19 -1.26 -4.98 117.16 111.19 2f3j n TYR 46 Ca -0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.18 2f3j n TYR 46 Cb 0.13 0.00 0.15 0.00 0.49 0.00 0.00 39.34 40.11 2f3j n TYR 46 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 2f3j h SER 47 N 0.00 1.08 -5.05 2.98 0.02 -2.01 -3.45 113.55 107.12 2f3j h SER 47 Ca 0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2f3j h SER 47 Cb 0.00 -0.25 -0.12 0.00 0.14 0.00 0.00 62.40 62.17 2f3j h SER 47 CO 0.00 0.75 0.04 0.00 -1.14 0.00 0.00 176.83 176.48 2f3j s ARG 48 N -6.06 1.18 -0.17 3.45 1.70 -1.26 -4.96 118.95 112.83 2f3j s ARG 48 Ca -0.13 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.19 2f3j s ARG 48 Cb 0.19 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 35.01 2f3j s ARG 48 CO 0.81 -0.49 2.13 -2.30 -1.08 0.00 0.00 175.30 174.37 2f3j n PRO 49 N -0.29 2.03 -3.23 3.89 -0.02 -1.26 -4.46 135.00 131.66 2f3j n PRO 49 Ca -0.16 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 2f3j n PRO 49 Cb 0.64 -3.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.04 2f3j n PRO 49 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2f3j s LYS 50 N 5.69 3.68 0.00 -0.52 -0.14 -1.26 -4.97 119.74 122.22 2f3j s LYS 50 Ca 0.99 -0.08 0.00 0.00 -1.36 0.00 0.00 55.97 55.51 2f3j s LYS 50 Cb -0.48 -3.79 0.00 0.00 -1.68 0.00 0.00 37.83 31.88 2f3j s LYS 50 CO 0.41 -0.62 0.18 -2.30 -0.76 0.00 0.00 175.35 172.26 2f3j n PRO 51 N 5.75 0.00 -3.91 -1.68 -0.02 -1.26 -4.95 135.00 128.93 2f3j n PRO 51 Ca -0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.12 2f3j n PRO 51 Cb 0.49 -0.63 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 2f3j n PRO 51 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2f3j n LEU 52 N -0.41 -1.97 0.00 2.45 4.77 -1.26 -4.96 117.00 115.62 2f3j n LEU 52 Ca 0.00 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 2f3j n LEU 52 Cb 0.00 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 38.97 2f3j n LEU 52 CO 0.00 0.52 0.00 -0.81 -1.33 0.00 0.00 177.39 175.77 2f3j n PRO 53 N -4.46 0.00 -1.86 3.23 -0.05 -1.26 -4.56 135.00 126.04 2f3j n PRO 53 Ca -0.20 0.28 -0.40 0.00 -0.05 0.00 0.00 63.50 63.13 2f3j n PRO 53 Cb 0.63 -0.76 -0.01 0.00 -0.05 0.00 0.00 33.50 33.31 2f3j n PRO 53 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 2f3j n ASP 54 N -2.08 8.07 -4.49 3.54 5.75 -1.26 -4.85 116.55 121.24 2f3j n ASP 54 Ca 0.00 -3.02 -0.42 0.00 -0.01 0.00 0.00 54.79 51.33 2f3j n ASP 54 Cb 0.00 -1.41 -0.00 0.00 -1.03 0.00 0.00 41.12 38.68 2f3j n ASP 54 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2f3j n LYS 55 N 2.21 3.11 -2.08 0.11 0.00 -1.26 -4.93 118.16 115.33 2f3j n LYS 55 Ca 0.65 -3.18 -0.39 0.00 0.00 0.00 0.00 58.31 55.39 2f3j n LYS 55 Cb 0.25 -3.48 -0.03 0.00 0.00 0.00 0.00 35.03 31.77 2f3j n LYS 55 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2f3j s TRP 56 N 4.32 1.72 0.14 5.64 0.52 -1.26 -4.97 118.94 125.05 2f3j s TRP 56 Ca 0.54 0.73 -0.13 0.00 0.02 0.00 0.00 56.10 57.25 2f3j s TRP 56 Cb 0.05 -4.13 -0.07 0.00 -1.15 0.00 0.00 33.47 28.17 2f3j s TRP 56 CO 0.06 -2.32 0.53 -0.65 0.02 0.00 0.00 176.95 174.59 2f3j s GLN 57 N 6.84 3.93 -1.42 4.98 -1.52 -1.26 -4.99 119.66 126.22 2f3j s GLN 57 Ca 0.66 0.42 -0.12 0.00 -1.95 0.00 0.00 55.36 54.37 2f3j s GLN 57 Cb -0.13 -2.91 0.07 0.00 -0.22 0.00 0.00 33.01 29.82 2f3j s GLN 57 CO 0.21 0.47 2.22 1.58 -0.25 0.00 0.00 175.29 179.53 2f3j n HIS 58 N 0.72 3.19 -1.56 0.91 -0.00 -1.26 -4.35 115.22 112.87 2f3j n HIS 58 Ca -0.05 -2.93 -0.19 0.00 0.46 0.00 0.00 57.72 55.02 2f3j n HIS 58 Cb 0.52 -2.34 -0.08 0.00 -0.12 0.00 0.00 29.99 27.97 2f3j n HIS 58 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2f3j n ASP 59 N 4.94 -5.23 0.00 0.26 2.03 -1.26 -3.85 116.55 113.45 2f3j n ASP 59 Ca 0.52 0.44 0.00 0.00 0.52 0.00 0.00 54.79 56.27 2f3j n ASP 59 Cb 0.36 -4.36 0.00 0.00 -0.72 0.00 0.00 41.12 36.40 2f3j n ASP 59 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2f3j n LEU 60 N -2.12 0.00 0.21 -2.67 4.32 -1.26 -1.45 117.00 114.03 2f3j n LEU 60 Ca -0.19 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 55.90 2f3j n LEU 60 Cb 0.61 0.00 0.33 0.00 -1.62 0.00 0.00 43.42 42.74 2f3j n LEU 60 CO 0.28 0.00 0.75 0.15 -1.22 0.00 0.00 177.39 177.36 2f3j h PHE 61 N 0.00 0.00 0.00 -1.77 3.57 -1.99 -3.44 116.94 113.31 2f3j h PHE 61 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2f3j h PHE 61 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2f3j h PHE 61 CO 0.00 0.21 0.00 -3.47 -2.23 0.00 0.00 178.31 172.82 2f3j n ASP 62 N -3.24 0.00 -2.23 0.41 -0.08 -0.53 -1.07 116.55 109.81 2f3j n ASP 62 Ca 0.01 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.02 2f3j n ASP 62 Cb 0.51 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.10 2f3j n ASP 62 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2f3j n SER 63 N -0.18 5.14 0.00 1.67 7.64 -1.26 -4.77 113.62 121.86 2f3j n SER 63 Ca 0.00 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.26 2f3j n SER 63 Cb 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2f3j n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f3j n GLY 64 N -1.00 0.80 3.62 0.23 0.00 -0.40 -5.03 105.19 103.42 2f3j n GLY 64 Ca 0.59 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2f3j n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f3j n GLY 66 N 5.11 0.50 0.40 0.00 0.00 -1.26 -5.06 105.19 104.88 2f3j n GLY 66 Ca 0.24 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 2f3j n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f3j n GLY 67 N 0.00 1.68 3.53 -0.02 0.00 -1.26 -5.11 105.19 104.01 2f3j n GLY 67 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2f3j n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2f3j s GLY 68 N -1.47 1.85 0.00 -0.02 0.00 0.14 -4.87 107.32 102.96 2f3j s GLY 68 Ca 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2f3j s GLY 68 CO 0.01 1.19 0.00 1.18 0.00 0.00 0.00 173.10 175.48 2f3j n GLU 69 N 5.65 0.00 -2.69 2.90 4.71 -1.26 -3.27 120.64 126.68 2f3j n GLU 69 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.03 2f3j n GLU 69 Cb 0.49 0.00 0.08 0.00 -1.01 0.00 0.00 31.44 31.00 2f3j n GLU 69 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2f3j n GLY 70 N 0.00 -0.12 1.36 0.62 0.00 -1.26 -4.99 105.19 100.80 2f3j n GLY 70 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2f3j n GLY 70 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2f3j n VAL 71 N 0.02 0.00 0.00 1.61 3.14 -1.20 -5.09 118.33 116.81 2f3j n VAL 71 Ca -0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2f3j n VAL 71 Cb 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.52 2f3j n VAL 71 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2f3j n GLU 72 N -2.19 0.00 -3.50 1.45 2.13 -1.23 -5.01 120.64 112.29 2f3j n GLU 72 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2f3j n GLU 72 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2f3j n GLU 72 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2f3j s THR 73 N 0.00 -0.26 -0.30 6.31 -4.23 -1.26 0.26 115.64 116.16 2f3j s THR 73 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.22 2f3j s THR 73 Cb 0.00 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.85 2f3j s THR 73 CO 0.00 0.00 1.15 -0.83 -0.54 0.00 0.00 174.62 174.40 2f3j s GLY 74 N 1.93 1.51 -0.47 3.99 0.00 -1.26 -4.33 107.32 108.70 2f3j s GLY 74 Ca -0.05 0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.55 2f3j s GLY 74 CO -0.16 2.38 0.38 0.00 0.00 0.00 0.00 173.10 175.70 2f3j s ALA 75 N 3.85 3.51 -0.26 3.20 0.00 -0.81 -4.71 121.76 126.54 2f3j s ALA 75 Ca 0.49 -2.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.20 2f3j s ALA 75 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2f3j s ALA 75 CO 0.17 -1.74 0.13 -1.59 0.00 0.00 0.00 175.76 172.73 2f3j s LYS 76 N 1.59 3.84 -0.23 0.00 -2.85 -0.96 -1.35 119.74 119.77 2f3j s LYS 76 Ca 0.04 -0.38 -0.08 0.00 -1.00 0.00 0.00 55.97 54.55 2f3j s LYS 76 Cb -0.25 -3.48 -0.03 0.00 -2.06 0.00 0.00 37.83 32.01 2f3j s LYS 76 CO 0.05 -0.13 0.08 -1.17 0.10 0.00 0.00 175.35 174.28 2f3j s LEU 77 N 1.55 3.58 -0.36 2.77 1.98 0.14 -0.76 118.68 127.59 2f3j s LEU 77 Ca 0.06 -0.12 -0.06 0.00 -2.89 0.00 0.00 54.13 51.12 2f3j s LEU 77 Cb -0.15 -1.95 0.06 0.00 0.66 0.00 0.00 46.19 44.80 2f3j s LEU 77 CO 0.07 0.02 0.14 -0.76 -1.89 0.00 0.00 176.35 173.92 2f3j s LEU 78 N 1.31 4.54 0.38 -0.68 1.43 0.14 -0.73 118.68 125.08 2f3j s LEU 78 Ca 0.05 -1.31 0.07 0.00 -1.03 0.00 0.00 54.13 51.91 2f3j s LEU 78 Cb -0.15 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2f3j s LEU 78 CO 0.04 -0.38 0.50 0.68 0.23 0.00 0.00 176.35 177.42 2f3j s VAL 79 N 1.37 3.45 -0.25 -1.59 -7.23 -0.14 0.25 120.40 116.26 2f3j s VAL 79 Ca -0.00 -1.03 -0.05 0.00 -1.81 0.00 0.00 61.98 59.08 2f3j s VAL 79 Cb -0.21 -3.18 0.13 0.00 0.56 0.00 0.00 36.38 33.69 2f3j s VAL 79 CO 0.02 -0.07 0.49 -0.44 -0.31 0.00 0.00 175.10 174.79 2f3j s SER 80 N -4.25 -0.55 0.00 4.85 0.01 0.45 -1.12 113.70 113.08 2f3j s SER 80 Ca 0.50 0.88 0.19 0.00 1.31 0.00 0.00 55.95 58.83 2f3j s SER 80 Cb -0.09 1.66 0.11 0.00 0.21 0.00 0.00 66.02 67.91 2f3j s SER 80 CO 0.32 -0.25 1.06 -0.46 0.41 0.00 0.00 173.24 174.32 2f3j n ASN 81 N 5.40 2.38 0.00 2.44 0.23 -0.88 -2.41 115.26 122.43 2f3j n ASN 81 Ca -0.06 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 2f3j n ASN 81 Cb 0.50 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 2f3j n ASN 81 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2f3j n LEU 82 N 0.77 0.00 -2.73 -4.53 4.32 0.19 -2.07 117.00 112.95 2f3j n LEU 82 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.99 2f3j n LEU 82 Cb 0.46 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.29 2f3j n LEU 82 CO 0.15 0.00 -0.04 -0.67 -1.22 0.00 0.00 177.39 175.61 2f3j n ASP 83 N 3.35 0.84 -0.01 -1.43 2.03 -1.26 -3.40 116.55 116.67 2f3j n ASP 83 Ca 0.00 -2.74 -0.03 0.00 0.52 0.00 0.00 54.79 52.54 2f3j n ASP 83 Cb 0.00 -0.28 -0.12 0.00 -0.72 0.00 0.00 41.12 40.00 2f3j n ASP 83 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2f3j n PHE 84 N -0.08 0.71 -0.21 -0.67 7.35 -0.88 -4.99 117.46 118.69 2f3j n PHE 84 Ca 0.09 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 2f3j n PHE 84 Cb 0.80 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.59 2f3j n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2f3j n GLY 85 N 1.49 1.21 3.62 7.13 0.00 -1.26 -5.05 105.19 112.33 2f3j n GLY 85 Ca -0.15 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 2f3j n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f3j s VAL 86 N -2.00 4.42 0.84 1.61 1.01 -1.26 -5.02 120.40 119.99 2f3j s VAL 86 Ca 0.00 1.48 -0.09 0.00 0.00 0.00 0.00 61.98 63.36 2f3j s VAL 86 Cb 0.00 -4.47 0.15 0.00 0.00 0.00 0.00 36.38 32.07 2f3j s VAL 86 CO 0.00 -0.66 1.16 -0.44 0.00 0.00 0.00 175.10 175.16 2f3j s SER 87 N 1.96 3.82 0.12 3.32 0.01 -1.26 -4.87 113.70 116.80 2f3j s SER 87 Ca 0.45 0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.62 2f3j s SER 87 Cb -0.10 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.76 2f3j s SER 87 CO 0.21 -2.25 1.67 -2.24 0.41 0.00 0.00 173.24 171.04 2f3j h ASP 88 N -1.09 0.47 1.34 2.44 2.03 -1.94 -1.81 116.42 117.86 2f3j h ASP 88 Ca -0.42 -0.16 -0.09 0.00 -0.73 0.00 0.00 57.03 55.63 2f3j h ASP 88 Cb 1.26 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2f3j h ASP 88 CO 0.43 0.50 -0.43 0.00 -1.03 0.00 0.00 179.24 178.71 2f3j h ALA 89 N 0.98 0.78 0.81 4.15 0.00 -1.95 -2.42 119.26 121.62 2f3j h ALA 89 Ca 0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2f3j h ALA 89 Cb 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2f3j h ALA 89 CO -0.01 0.53 -0.50 -0.44 0.00 0.00 0.00 179.25 178.83 2f3j h ASP 90 N 0.00 -1.26 0.26 0.00 3.32 -1.82 0.32 116.42 117.24 2f3j h ASP 90 Ca -0.00 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2f3j h ASP 90 Cb 1.21 0.37 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 2f3j h ASP 90 CO 0.06 -0.77 -0.10 -0.29 -1.72 0.00 0.00 179.24 176.42 2f3j h ILE 91 N -1.23 0.61 0.11 0.35 6.09 -1.40 -0.25 117.51 121.78 2f3j h ILE 91 Ca -0.11 -0.41 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 2f3j h ILE 91 Cb 0.98 1.26 0.00 0.00 0.47 0.00 0.00 36.82 39.53 2f3j h ILE 91 CO 0.11 0.09 -0.05 -0.61 -3.07 0.00 0.00 178.15 174.62 2f3j h GLN 92 N 0.00 -0.14 -0.47 2.19 4.15 -0.92 0.72 115.11 120.64 2f3j h GLN 92 Ca -0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2f3j h GLN 92 Cb 0.25 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2f3j h GLN 92 CO 0.01 0.21 0.26 1.49 -1.93 0.00 0.00 178.83 178.87 2f3j h GLU 93 N -0.51 0.65 0.52 1.69 4.81 0.02 0.56 114.58 122.32 2f3j h GLU 93 Ca -0.01 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2f3j h GLU 93 Cb 0.41 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.66 2f3j h GLU 93 CO 0.02 0.48 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.46 2f3j h LEU 94 N 0.66 -0.59 -2.59 1.64 4.07 -0.90 -1.14 115.31 116.45 2f3j h LEU 94 Ca 0.17 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.16 2f3j h LEU 94 Cb 0.01 0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2f3j h LEU 94 CO -0.03 -0.35 0.08 -0.26 -1.08 0.00 0.00 178.44 176.80 2f3j h PHE 95 N -0.84 0.00 -0.05 1.13 0.04 -0.79 0.61 116.94 117.04 2f3j h PHE 95 Ca -0.07 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 2f3j h PHE 95 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 2f3j h PHE 95 CO 0.06 0.00 -0.07 0.00 -0.60 0.00 0.00 178.31 177.70 2f3j h ALA 96 N 1.88 0.08 -0.96 2.45 0.00 -0.76 -0.86 119.26 121.08 2f3j h ALA 96 Ca 0.02 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.71 2f3j h ALA 96 Cb 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2f3j h ALA 96 CO -0.00 -0.10 0.62 1.49 0.00 0.00 0.00 179.25 181.26 2f3j h GLU 97 N -0.34 1.03 0.00 0.00 4.81 -0.11 -0.86 114.58 119.10 2f3j h GLU 97 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2f3j h GLU 97 Cb 0.61 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2f3j h GLU 97 CO 0.02 0.68 0.00 0.34 -0.73 0.00 0.00 179.01 179.31 2f3j n PHE 98 N -4.52 0.00 0.00 0.92 7.35 0.20 -4.96 117.46 116.45 2f3j n PHE 98 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 2f3j n PHE 98 Cb 0.24 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.05 2f3j n PHE 98 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2f3j n GLY 99 N -0.04 0.73 2.76 7.13 0.00 -0.33 -4.98 105.19 110.47 2f3j n GLY 99 Ca 0.11 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 2f3j n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f3j s THR 100 N 0.00 0.60 -0.35 2.61 -4.23 -1.23 -4.56 115.64 108.48 2f3j s THR 100 Ca 0.00 -0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 2f3j s THR 100 Cb 0.00 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 72.85 2f3j s THR 100 CO 0.00 -0.12 0.13 -0.22 -0.54 0.00 0.00 174.62 173.88 2f3j s LEU 101 N 1.83 4.40 0.04 4.79 2.96 -1.26 -4.75 118.68 126.70 2f3j s LEU 101 Ca -0.00 -1.07 -0.31 0.00 -0.22 0.00 0.00 54.13 52.53 2f3j s LEU 101 Cb -0.16 -1.91 -0.17 0.00 0.50 0.00 0.00 46.19 44.44 2f3j s LEU 101 CO -0.07 -0.33 1.36 0.50 -1.32 0.00 0.00 176.35 176.48 2f3j h LYS 102 N 8.28 -1.07 -3.62 1.98 1.63 -1.70 -3.47 116.57 118.60 2f3j h LYS 102 Ca -0.24 0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.51 2f3j h LYS 102 Cb 1.09 0.24 -0.18 0.00 -0.60 0.00 0.00 32.23 32.78 2f3j h LYS 102 CO 0.62 -0.71 -0.45 -1.59 -3.45 0.00 0.00 179.45 173.87 2f3j s LYS 103 N -5.27 0.63 -0.01 1.90 0.00 -0.71 -5.00 119.74 111.28 2f3j s LYS 103 Ca -0.16 -0.63 -0.24 0.00 0.00 0.00 0.00 55.97 54.94 2f3j s LYS 103 Cb 0.02 0.26 0.05 0.00 0.00 0.00 0.00 37.83 38.16 2f3j s LYS 103 CO 0.49 -0.17 0.53 0.00 0.00 0.00 0.00 175.35 176.19 2f3j s ALA 104 N -2.40 -1.36 0.05 0.59 0.00 -1.26 0.11 121.76 117.49 2f3j s ALA 104 Ca -0.06 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.46 2f3j s ALA 104 Cb -0.02 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.31 2f3j s ALA 104 CO -0.03 -0.37 0.81 0.00 0.00 0.00 0.00 175.76 176.17 2f3j s ALA 105 N -1.57 -1.74 0.38 0.00 0.00 -0.49 -4.82 121.76 113.51 2f3j s ALA 105 Ca -0.10 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.71 2f3j s ALA 105 Cb -0.02 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 2f3j s ALA 105 CO 0.05 -0.74 0.52 0.14 0.00 0.00 0.00 175.76 175.74 2f3j s VAL 106 N -3.31 3.63 0.13 0.00 -7.23 -1.26 0.65 120.40 113.01 2f3j s VAL 106 Ca 0.05 -0.97 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2f3j s VAL 106 Cb -0.01 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 2f3j s VAL 106 CO -0.09 -0.10 0.04 -0.62 -0.31 0.00 0.00 175.10 174.02 2f3j s ASP 107 N -4.25 0.47 0.37 4.85 2.15 0.23 -4.80 116.67 115.69 2f3j s ASP 107 Ca 0.49 -1.19 -0.10 0.00 0.43 0.00 0.00 52.55 52.18 2f3j s ASP 107 Cb -0.10 0.26 0.03 0.00 -0.30 0.00 0.00 42.92 42.82 2f3j s ASP 107 CO 0.32 -0.70 0.66 -0.31 -0.17 0.00 0.00 175.17 174.98 2f3j s TYR 108 N -3.98 0.53 0.61 -5.34 2.02 -1.26 -1.25 117.35 108.68 2f3j s TYR 108 Ca 0.23 -1.01 -0.07 0.00 -0.37 0.00 0.00 57.07 55.85 2f3j s TYR 108 Cb 0.07 0.45 0.01 0.00 -0.40 0.00 0.00 41.96 42.09 2f3j s TYR 108 CO 0.01 -1.39 0.93 0.34 -1.57 0.00 0.00 175.55 173.87 2f3j s ASP 109 N -3.14 5.56 0.28 2.29 2.15 -1.26 -4.89 116.67 117.65 2f3j s ASP 109 Ca 0.22 0.77 0.01 0.00 0.43 0.00 0.00 52.55 53.98 2f3j s ASP 109 Cb -0.03 -1.73 0.63 0.00 -0.30 0.00 0.00 42.92 41.48 2f3j s ASP 109 CO 0.15 -1.11 1.73 0.03 -0.17 0.00 0.00 175.17 175.80 2f3j h ARG 110 N -0.25 0.49 -0.21 4.34 2.47 -2.02 0.23 114.38 119.43 2f3j h ARG 110 Ca -0.45 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 2f3j h ARG 110 Cb 1.26 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2f3j h ARG 110 CO 0.61 0.32 0.00 -1.13 0.56 0.00 0.00 179.97 180.33 2f3j n SER 111 N -4.96 2.41 -2.93 7.04 3.41 -1.26 -4.93 113.62 112.39 2f3j n SER 111 Ca 0.19 -1.82 -0.15 0.00 -0.26 0.00 0.00 58.87 56.84 2f3j n SER 111 Cb 0.54 -0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.43 2f3j n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f3j n GLY 112 N 1.29 -0.20 0.00 5.00 0.00 0.82 -5.00 105.19 107.09 2f3j n GLY 112 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2f3j n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3j n ARG 113 N -3.63 0.00 -3.08 1.61 1.74 -1.26 -4.86 116.66 107.18 2f3j n ARG 113 Ca -0.17 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.96 2f3j n ARG 113 Cb 0.61 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 2f3j n ARG 113 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2f3j s SER 114 N -2.01 -0.62 0.01 0.55 1.04 -1.26 -5.02 113.70 106.39 2f3j s SER 114 Ca 0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2f3j s SER 114 Cb 0.00 1.25 0.00 0.00 0.10 0.00 0.00 66.02 67.37 2f3j s SER 114 CO 0.00 -0.10 0.00 0.00 0.98 0.00 0.00 173.24 174.12 2f3j n LEU 115 N 4.85 -0.06 -2.57 2.42 -0.00 -1.22 -4.90 117.00 115.53 2f3j n LEU 115 Ca 0.08 0.01 -0.08 0.00 -0.00 0.00 0.00 56.01 56.03 2f3j n LEU 115 Cb 0.58 0.50 0.04 0.00 -0.00 0.00 0.00 43.42 44.54 2f3j n LEU 115 CO -0.13 -0.44 0.05 0.61 -0.00 0.00 0.00 177.39 177.48 2f3j n GLY 116 N -1.45 -0.47 3.79 1.47 0.00 -1.26 0.53 105.19 107.80 2f3j n GLY 116 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2f3j n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f3j s THR 117 N -3.20 2.82 -0.20 2.61 -4.23 -0.38 -2.06 115.64 110.99 2f3j s THR 117 Ca 0.24 0.27 -0.17 0.00 -1.18 0.00 0.00 61.69 60.84 2f3j s THR 117 Cb -0.03 -2.97 0.06 0.00 1.34 0.00 0.00 72.50 70.89 2f3j s THR 117 CO 0.46 -0.35 0.53 0.00 -0.54 0.00 0.00 174.62 174.73 2f3j s ALA 118 N -3.14 -1.34 -0.42 3.99 0.00 -0.28 0.77 121.76 121.34 2f3j s ALA 118 Ca 0.62 1.59 -0.11 0.00 0.00 0.00 0.00 51.96 54.06 2f3j s ALA 118 Cb -0.15 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.11 2f3j s ALA 118 CO 0.54 -0.27 0.27 0.34 0.00 0.00 0.00 175.76 176.65 2f3j s ASP 119 N 0.53 5.75 -0.06 0.00 -1.08 0.21 -0.96 116.67 121.06 2f3j s ASP 119 Ca -0.02 -1.37 -0.01 0.00 -0.52 0.00 0.00 52.55 50.64 2f3j s ASP 119 Cb -0.04 -2.03 -0.03 0.00 -1.46 0.00 0.00 42.92 39.35 2f3j s ASP 119 CO -0.03 -0.53 -0.00 0.68 0.52 0.00 0.00 175.17 175.81 2f3j s VAL 120 N 1.49 4.21 -0.08 1.11 -7.23 0.09 -1.40 120.40 118.59 2f3j s VAL 120 Ca 0.03 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.84 2f3j s VAL 120 Cb -0.22 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 33.93 2f3j s VAL 120 CO 0.04 0.54 -0.11 -1.00 -0.31 0.00 0.00 175.10 174.25 2f3j s HIS 121 N -0.94 1.53 0.13 2.82 3.76 0.29 0.25 115.29 123.13 2f3j s HIS 121 Ca 0.15 -0.64 0.07 0.00 -0.15 0.00 0.00 55.06 54.48 2f3j s HIS 121 Cb -0.11 -1.16 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 2f3j s HIS 121 CO 0.05 -0.37 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.47 2f3j s PHE 122 N 0.99 2.84 -0.73 1.40 0.40 -0.46 -1.72 117.98 120.70 2f3j s PHE 122 Ca -0.08 -0.12 0.26 0.00 -0.60 0.00 0.00 56.93 56.39 2f3j s PHE 122 Cb -0.15 -1.44 0.86 0.00 0.51 0.00 0.00 43.02 42.81 2f3j s PHE 122 CO -0.00 0.47 1.78 -1.91 0.70 0.00 0.00 175.22 176.26 2f3j n GLU 123 N 0.38 0.23 -5.05 0.44 4.07 -1.26 -1.93 120.64 117.52 2f3j n GLU 123 Ca -0.11 0.22 -0.32 0.00 -0.06 0.00 0.00 57.16 56.89 2f3j n GLU 123 Cb 0.53 -1.79 -0.15 0.00 -0.06 0.00 0.00 31.44 29.98 2f3j n GLU 123 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2f3j s ARG 124 N -3.11 2.49 0.22 5.31 3.00 -1.26 -4.16 118.95 121.44 2f3j s ARG 124 Ca 0.10 -0.79 -0.06 0.00 0.00 0.00 0.00 55.73 54.98 2f3j s ARG 124 Cb 0.13 -2.28 0.20 0.00 0.00 0.00 0.00 34.95 33.00 2f3j s ARG 124 CO 0.57 0.53 1.74 0.00 0.00 0.00 0.00 175.30 178.13 2f3j h ARG 125 N 5.62 1.02 -0.60 3.54 3.08 -1.82 -3.05 114.38 122.18 2f3j h ARG 125 Ca -0.41 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.40 2f3j h ARG 125 Cb 1.15 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 2f3j h ARG 125 CO 0.49 0.93 0.40 0.00 -1.07 0.00 0.00 179.97 180.72 2f3j h ALA 126 N 1.16 1.60 -0.45 0.04 0.00 -1.94 0.59 119.26 120.26 2f3j h ALA 126 Ca 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2f3j h ALA 126 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2f3j h ALA 126 CO 0.01 0.37 0.19 0.22 0.00 0.00 0.00 179.25 180.04 2f3j h ASP 127 N 0.79 0.56 0.50 0.00 1.82 -1.90 0.33 116.42 118.53 2f3j h ASP 127 Ca 0.22 -0.05 -0.30 0.00 -0.39 0.00 0.00 57.03 56.51 2f3j h ASP 127 Cb -0.06 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 39.82 2f3j h ASP 127 CO -0.05 0.50 -1.39 0.00 -1.61 0.00 0.00 179.24 176.69 2f3j h ALA 128 N 1.59 0.12 -0.33 -0.78 0.00 -1.00 -1.93 119.26 116.93 2f3j h ALA 128 Ca 0.16 -0.97 0.03 0.00 0.00 0.00 0.00 54.91 54.13 2f3j h ALA 128 Cb 0.10 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2f3j h ALA 128 CO -0.02 0.99 0.15 1.25 0.00 0.00 0.00 179.25 181.62 2f3j h LEU 129 N 0.08 0.20 -1.10 0.00 6.46 0.55 0.77 115.31 122.28 2f3j h LEU 129 Ca -0.20 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 2f3j h LEU 129 Cb 2.02 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.90 2f3j h LEU 129 CO 0.20 0.15 0.42 0.50 -0.62 0.00 0.00 178.44 179.10 2f3j h LYS 130 N 0.31 1.05 -0.79 1.25 3.64 -0.40 -1.69 116.57 119.94 2f3j h LYS 130 Ca 0.14 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2f3j h LYS 130 Cb 0.08 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2f3j h LYS 130 CO -0.12 0.76 0.32 0.00 -2.27 0.00 0.00 179.45 178.15 2f3j h ALA 131 N 1.41 1.07 -0.01 5.00 0.00 -0.45 0.62 119.26 126.90 2f3j h ALA 131 Ca 0.27 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2f3j h ALA 131 Cb 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2f3j h ALA 131 CO -0.04 0.66 -0.56 0.00 0.00 0.00 0.00 179.25 179.30 2f3j h MET 132 N 1.15 0.02 0.03 0.00 -0.00 -0.43 0.82 114.93 116.51 2f3j h MET 132 Ca 0.26 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.90 2f3j h MET 132 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 2f3j h MET 132 CO -0.02 0.57 -0.23 0.87 -0.00 0.00 0.00 176.91 178.10 2f3j h LYS 133 N 0.01 0.06 0.00 -0.10 6.56 -0.82 -3.32 116.57 118.96 2f3j h LYS 133 Ca -0.01 -0.09 -0.06 0.00 -1.06 0.00 0.00 60.65 59.43 2f3j h LYS 133 Cb 1.00 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.68 2f3j h LYS 133 CO 0.07 1.05 -0.55 1.96 -2.06 0.00 0.00 179.45 179.92 2f3j h GLN 134 N -0.88 0.00 0.41 3.15 7.50 0.19 -3.41 115.11 122.07 2f3j h GLN 134 Ca -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.08 2f3j h GLN 134 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.67 2f3j h GLN 134 CO 0.02 0.36 -0.20 -0.92 -1.50 0.00 0.00 178.83 176.59 2f3j h TYR 135 N -1.00 -0.51 -2.20 2.96 3.20 -1.02 -3.40 116.97 115.00 2f3j h TYR 135 Ca -0.09 -0.01 -0.56 0.00 3.14 0.00 0.00 58.73 61.21 2f3j h TYR 135 Cb 0.66 0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.11 2f3j h TYR 135 CO -0.04 -0.19 1.36 0.21 -1.64 0.00 0.00 178.16 177.87 2f3j s LYS 136 N -4.55 3.59 0.00 1.82 2.20 -0.35 -0.99 119.74 121.45 2f3j s LYS 136 Ca -0.14 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 2f3j s LYS 136 Cb 0.02 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 2f3j s LYS 136 CO 0.49 -1.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.31 2f3j n GLY 137 N 5.19 1.60 3.66 5.54 0.00 -1.26 -4.66 105.19 115.26 2f3j n GLY 137 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2f3j n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f3j s VAL 138 N -1.31 3.69 0.29 1.61 0.11 -0.16 -4.90 120.40 119.73 2f3j s VAL 138 Ca 0.00 0.84 -0.29 0.00 -2.93 0.00 0.00 61.98 59.60 2f3j s VAL 138 Cb 0.00 -3.54 -0.10 0.00 -1.53 0.00 0.00 36.38 31.21 2f3j s VAL 138 CO 0.00 -0.07 1.34 -2.16 -3.33 0.00 0.00 175.10 170.87 2f3j s PRO 139 N 3.91 4.34 -0.35 1.54 0.04 -1.26 -0.78 135.00 142.44 2f3j s PRO 139 Ca 0.70 2.21 -0.00 0.00 0.04 0.00 0.00 61.00 63.95 2f3j s PRO 139 Cb -0.32 -3.10 0.14 0.00 0.04 0.00 0.00 34.50 31.26 2f3j s PRO 139 CO 0.27 -0.25 0.21 -1.17 0.04 0.00 0.00 177.00 176.10 2f3j s LEU 140 N -1.23 0.91 0.00 -3.56 2.96 0.38 -4.73 118.68 113.41 2f3j s LEU 140 Ca 0.52 -2.09 0.00 0.00 -0.22 0.00 0.00 54.13 52.34 2f3j s LEU 140 Cb -0.40 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 45.92 2f3j s LEU 140 CO 0.49 -0.32 0.00 -0.67 -1.32 0.00 0.00 176.35 174.52 2f3j n ASP 141 N 4.16 0.00 0.09 3.68 -0.08 -1.26 -4.06 116.55 119.07 2f3j n ASP 141 Ca 0.10 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.43 2f3j n ASP 141 Cb 0.38 0.00 0.26 0.00 2.34 0.00 0.00 41.12 44.09 2f3j n ASP 141 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2f3j n GLY 142 N 0.00 -0.59 3.18 0.27 0.00 -1.26 -4.60 105.19 102.19 2f3j n GLY 142 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2f3j n GLY 142 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2f3j s ARG 143 N -3.15 0.68 0.80 1.61 6.06 -1.26 -5.15 118.95 118.55 2f3j s ARG 143 Ca -0.01 -0.61 -0.14 0.00 -2.50 0.00 0.00 55.73 52.46 2f3j s ARG 143 Cb 0.03 0.28 0.02 0.00 0.06 0.00 0.00 34.95 35.35 2f3j s ARG 143 CO 0.09 -0.20 0.77 -2.30 -2.50 0.00 0.00 175.30 171.16 2f3j n PRO 144 N 0.73 0.14 -2.43 5.12 -0.02 -1.26 -0.47 135.00 136.81 2f3j n PRO 144 Ca -0.19 0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 61.15 2f3j n PRO 144 Cb 0.59 -2.08 0.09 0.00 -0.02 0.00 0.00 33.50 32.07 2f3j n PRO 144 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f3j s MET 145 N -3.47 1.93 -0.25 -0.52 0.23 0.04 -4.53 119.30 112.73 2f3j s MET 145 Ca 0.67 -0.73 -0.10 0.00 -1.03 0.00 0.00 55.69 54.50 2f3j s MET 145 Cb -0.30 -2.28 -0.05 0.00 -1.53 0.00 0.00 34.83 30.68 2f3j s MET 145 CO 0.57 -1.30 0.15 0.34 -2.03 0.00 0.00 175.02 172.75 2f3j s ASP 146 N -4.61 5.92 -0.05 -1.18 2.15 -1.01 -4.72 116.67 113.16 2f3j s ASP 146 Ca 0.63 0.03 -0.01 0.00 0.43 0.00 0.00 52.55 53.63 2f3j s ASP 146 Cb -0.08 -2.07 0.03 0.00 -0.30 0.00 0.00 42.92 40.49 2f3j s ASP 146 CO 0.44 0.02 0.02 -0.63 -0.17 0.00 0.00 175.17 174.86 2f3j s ILE 147 N 1.31 0.12 -0.13 4.11 1.01 -1.25 -0.41 121.20 125.95 2f3j s ILE 147 Ca 0.07 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.97 2f3j s ILE 147 Cb -0.14 -0.30 0.02 0.00 0.01 0.00 0.00 42.46 42.04 2f3j s ILE 147 CO 0.06 0.19 -0.17 -1.10 0.00 0.00 0.00 174.94 173.93 2f3j s GLN 148 N 1.76 2.49 -0.38 2.79 -0.21 0.14 -4.89 119.66 121.36 2f3j s GLN 148 Ca 0.00 -0.65 -0.04 0.00 0.02 0.00 0.00 55.36 54.70 2f3j s GLN 148 Cb -0.13 -2.14 0.08 0.00 1.00 0.00 0.00 33.01 31.83 2f3j s GLN 148 CO -0.03 -0.12 0.15 -0.51 -2.12 0.00 0.00 175.29 172.66 2f3j s LEU 149 N 1.13 4.83 -0.23 2.90 2.01 -1.26 0.28 118.68 128.34 2f3j s LEU 149 Ca -0.02 -1.69 -0.08 0.00 0.01 0.00 0.00 54.13 52.34 2f3j s LEU 149 Cb -0.14 -1.83 -0.04 0.00 0.01 0.00 0.00 46.19 44.19 2f3j s LEU 149 CO -0.05 -0.46 0.10 -0.69 1.01 0.00 0.00 176.35 176.25 2f3j s VAL 150 N 1.23 4.74 -0.61 -1.59 1.01 0.06 -4.29 120.40 120.96 2f3j s VAL 150 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2f3j s VAL 150 Cb -0.22 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 2f3j s VAL 150 CO -0.02 0.37 0.51 0.00 0.00 0.00 0.00 175.10 175.95 2f3j n ALA 151 N 4.41 -1.09 0.00 5.51 0.00 -1.26 -2.26 120.51 125.82 2f3j n ALA 151 Ca -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 2f3j n ALA 151 Cb 0.52 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 2f3j n ALA 151 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2f3j n SER 152 N -2.13 0.54 0.07 0.00 3.41 -1.26 -4.38 113.62 109.87 2f3j n SER 152 Ca -0.14 0.08 -0.20 0.00 -0.26 0.00 0.00 58.87 58.36 2f3j n SER 152 Cb 0.58 -0.29 -0.15 0.00 -0.26 0.00 0.00 64.21 64.09 2f3j n SER 152 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2f3j h GLN 153 N -0.14 0.32 -6.29 4.33 -0.00 -1.87 -3.38 115.11 108.09 2f3j h GLN 153 Ca 0.00 -0.55 -0.48 0.00 -0.00 0.00 0.00 58.65 57.62 2f3j h GLN 153 Cb 0.14 0.21 -0.29 0.00 -0.00 0.00 0.00 27.48 27.53 2f3j h GLN 153 CO 0.00 1.21 -0.69 0.44 -0.00 0.00 0.00 178.83 179.79 2f3j n ILE 154 N -3.52 0.00 0.00 1.86 -5.35 -1.26 -4.67 119.36 106.41 2f3j n ILE 154 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2f3j n ILE 154 Cb 1.06 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 2f3j n ILE 154 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2f3j n ASP 155 N -1.83 2.80 -0.06 7.28 2.03 -1.26 -4.48 116.55 121.04 2f3j n ASP 155 Ca 0.09 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.29 2f3j n ASP 155 Cb 0.37 0.11 0.02 0.00 -0.72 0.00 0.00 41.12 40.90 2f3j n ASP 155 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2f3j h LEU 156 N 0.00 0.82 -7.69 -2.67 4.07 -2.02 -3.39 115.31 104.43 2f3j h LEU 156 Ca 0.00 -0.40 -0.63 0.00 0.08 0.00 0.00 57.88 56.92 2f3j h LEU 156 Cb 0.64 -0.23 -0.38 0.00 1.08 0.00 0.00 40.66 41.77 2f3j h LEU 156 CO 0.00 1.16 -0.78 -1.61 -1.08 0.00 0.00 178.44 176.13 2f3j s GLU 157 N -4.21 1.74 0.00 1.13 2.02 -1.26 -5.22 118.70 112.90 2f3j s GLU 157 Ca -0.09 -1.22 0.28 0.00 0.02 0.00 0.00 54.97 53.95 2f3j s GLU 157 Cb 0.11 -2.73 0.99 0.00 0.10 0.00 0.00 34.13 32.60 2f3j s GLU 157 CO 0.86 -0.66 1.71 0.72 0.02 0.00 0.00 175.26 177.92