#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k n GLU 2 N 0.00 3.24 -0.55 2.12 4.71 -1.26 -4.88 120.64 124.01 2k3k n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 2k3k n GLU 2 Cb 0.00 -0.64 -0.03 0.00 -1.01 0.00 0.00 31.44 29.76 2k3k n GLU 2 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2k3k n MET 3 N -0.94 1.11 -2.71 3.49 2.81 -1.26 -3.37 117.12 116.24 2k3k n MET 3 Ca 0.00 -0.16 -0.43 0.00 -1.81 0.00 0.00 57.70 55.30 2k3k n MET 3 Cb 0.00 -1.19 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 2k3k n MET 3 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2k3k s LEU 4 N 0.00 4.16 0.05 4.03 1.02 -1.26 -4.88 118.68 121.80 2k3k s LEU 4 Ca 0.11 1.39 -0.34 0.00 0.02 0.00 0.00 54.13 55.31 2k3k s LEU 4 Cb 0.05 -3.49 -0.13 0.00 0.02 0.00 0.00 46.19 42.65 2k3k s LEU 4 CO 0.00 -0.55 1.73 -2.65 0.02 0.00 0.00 176.35 174.90 2k3k n PRO 5 N 5.70 2.20 -3.51 1.29 -0.02 -1.26 -4.76 135.00 134.63 2k3k n PRO 5 Ca 0.10 0.80 -0.13 0.00 -2.02 0.00 0.00 63.50 62.24 2k3k n PRO 5 Cb 0.47 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 2k3k n PRO 5 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2k3k s ASN 6 N 2.46 -0.51 0.39 2.55 3.84 -1.26 -5.05 114.94 117.36 2k3k s ASN 6 Ca 0.85 0.36 0.28 0.00 0.21 0.00 0.00 52.86 54.56 2k3k s ASN 6 Cb -0.67 0.46 1.32 0.00 -0.55 0.00 0.00 41.25 41.80 2k3k s ASN 6 CO 0.44 -0.61 1.85 1.56 -2.79 0.00 0.00 177.10 177.55 2k3k h GLN 7 N 2.50 0.00 -6.75 0.43 4.20 -1.87 -3.42 115.11 110.20 2k3k h GLN 7 Ca -0.25 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.77 2k3k h GLN 7 Cb 1.20 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.72 2k3k h GLN 7 CO 0.35 0.00 -0.87 0.99 -0.67 0.00 0.00 178.83 178.63 2k3k s THR 8 N -3.57 2.22 0.18 -0.54 2.01 -1.26 -0.72 115.64 113.96 2k3k s THR 8 Ca 0.00 -1.42 0.03 0.00 0.31 0.00 0.00 61.69 60.62 2k3k s THR 8 Cb 0.09 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.67 2k3k s THR 8 CO 0.37 0.33 -0.03 0.27 -0.69 0.00 0.00 174.62 174.87 2k3k s ILE 9 N -0.85 0.95 -0.10 1.82 -4.36 -0.45 -2.18 121.20 116.04 2k3k s ILE 9 Ca 0.12 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2k3k s ILE 9 Cb -0.10 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 41.54 2k3k s ILE 9 CO 0.03 -0.53 -0.11 -0.47 0.24 0.00 0.00 174.94 174.10 2k3k s TYR 10 N -3.47 1.61 -0.07 1.37 5.04 0.22 -2.29 117.35 119.76 2k3k s TYR 10 Ca 0.23 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 54.13 2k3k s TYR 10 Cb 0.05 -1.24 -0.03 0.00 0.35 0.00 0.00 41.96 41.09 2k3k s TYR 10 CO 0.04 -0.44 -0.11 0.42 -1.34 0.00 0.00 175.55 174.12 2k3k s ILE 11 N 1.23 3.35 0.19 3.14 1.01 0.17 -1.32 121.20 128.96 2k3k s ILE 11 Ca -0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2k3k s ILE 11 Cb -0.14 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 2k3k s ILE 11 CO -0.03 0.59 0.20 0.20 0.00 0.00 0.00 174.94 175.89 2k3k s ASN 12 N -0.63 0.12 -1.18 3.58 0.01 0.56 -1.55 114.94 115.84 2k3k s ASN 12 Ca 0.09 -1.21 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 2k3k s ASN 12 Cb -0.11 0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.96 2k3k s ASN 12 CO 0.01 -0.88 0.00 -3.20 -1.51 0.00 0.00 177.10 171.52 2k3k n ASN 13 N -0.25 -3.88 -4.75 -1.22 5.15 -1.19 -1.50 115.26 107.62 2k3k n ASN 13 Ca -0.01 0.22 -0.41 0.00 -0.60 0.00 0.00 54.58 53.78 2k3k n ASN 13 Cb 0.64 -3.37 -0.03 0.00 -0.53 0.00 0.00 39.78 36.50 2k3k n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2k3k s LEU 14 N -5.12 4.43 -0.19 1.20 0.20 -0.87 -4.59 118.68 113.74 2k3k s LEU 14 Ca 0.00 2.52 -0.29 0.00 0.69 0.00 0.00 54.13 57.05 2k3k s LEU 14 Cb 0.00 -3.63 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 2k3k s LEU 14 CO 0.00 -0.50 1.82 0.21 -0.29 0.00 0.00 176.35 177.60 2k3k s ASN 15 N -0.12 6.13 0.00 3.68 3.84 -1.26 -4.38 114.94 122.84 2k3k s ASN 15 Ca 0.52 1.81 0.13 0.00 0.21 0.00 0.00 52.86 55.53 2k3k s ASN 15 Cb -0.38 -2.53 0.55 0.00 -0.55 0.00 0.00 41.25 38.35 2k3k s ASN 15 CO 0.44 -1.43 1.39 -1.84 -2.79 0.00 0.00 177.10 172.88 2k3k n GLU 16 N 7.97 0.03 0.23 0.43 0.00 -1.26 -2.28 120.64 125.76 2k3k n GLU 16 Ca 0.22 0.27 0.10 0.00 0.00 0.00 0.00 57.16 57.74 2k3k n GLU 16 Cb 0.45 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 30.90 2k3k n GLU 16 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2k3k h LYS 17 N 0.00 0.00 -6.38 3.44 2.10 -1.89 -3.45 116.57 110.39 2k3k h LYS 17 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 2k3k h LYS 17 Cb 0.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2k3k h LYS 17 CO 0.00 0.23 0.84 0.42 -2.00 0.00 0.00 179.45 178.93 2k3k s ILE 18 N -3.83 3.69 0.90 0.07 -1.09 -0.97 -5.01 121.20 114.97 2k3k s ILE 18 Ca -0.01 1.08 -0.11 0.00 -2.23 0.00 0.00 60.65 59.38 2k3k s ILE 18 Cb 0.11 -3.69 0.13 0.00 -1.58 0.00 0.00 42.46 37.44 2k3k s ILE 18 CO 0.63 -0.00 1.09 -0.54 -1.23 0.00 0.00 174.94 174.89 2k3k s LYS 19 N 2.38 1.18 0.20 2.79 1.02 -1.26 -4.79 119.74 121.27 2k3k s LYS 19 Ca 0.64 0.89 -0.10 0.00 0.02 0.00 0.00 55.97 57.42 2k3k s LYS 19 Cb -0.32 -1.79 0.21 0.00 -0.52 0.00 0.00 37.83 35.41 2k3k s LYS 19 CO 0.27 -2.31 1.80 -0.22 -0.92 0.00 0.00 175.35 173.96 2k3k h LYS 20 N -1.60 0.60 -0.36 1.68 3.64 -1.93 0.18 116.57 118.78 2k3k h LYS 20 Ca -0.49 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 2k3k h LYS 20 Cb 1.28 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2k3k h LYS 20 CO 0.53 0.40 0.21 1.49 -2.27 0.00 0.00 179.45 179.81 2k3k h GLU 21 N 0.62 0.42 -0.41 1.90 4.57 -1.98 -0.19 114.58 119.51 2k3k h GLU 21 Ca 0.28 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.28 2k3k h GLU 21 Cb 0.18 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2k3k h GLU 21 CO -0.18 0.28 -0.33 0.93 -1.18 0.00 0.00 179.01 178.53 2k3k h GLU 22 N 0.43 0.93 0.15 1.92 5.08 -1.78 -0.36 114.58 120.97 2k3k h GLU 22 Ca 0.14 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2k3k h GLU 22 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k3k h GLU 22 CO -0.07 1.12 -0.14 1.25 -1.00 0.00 0.00 179.01 180.17 2k3k h LEU 23 N 0.78 -0.36 -0.21 1.33 7.12 -0.79 0.25 115.31 123.42 2k3k h LEU 23 Ca 0.08 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.13 2k3k h LEU 23 Cb 0.92 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 2k3k h LEU 23 CO 0.09 -0.21 0.10 0.50 -0.13 0.00 0.00 178.44 178.78 2k3k h LYS 24 N -0.31 0.21 -0.21 1.25 3.64 -0.82 0.23 116.57 120.57 2k3k h LYS 24 Ca 0.00 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2k3k h LYS 24 Cb 0.29 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2k3k h LYS 24 CO -0.03 0.14 0.06 -0.22 -2.27 0.00 0.00 179.45 177.13 2k3k h LYS 25 N 0.22 0.15 -0.49 1.90 3.64 -0.97 -1.59 116.57 119.42 2k3k h LYS 25 Ca 0.08 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2k3k h LYS 25 Cb 0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2k3k h LYS 25 CO -0.06 0.10 0.11 0.77 -2.27 0.00 0.00 179.45 178.10 2k3k h SER 26 N 0.15 0.76 -0.01 4.20 0.02 -0.45 0.95 113.55 119.16 2k3k h SER 26 Ca 0.09 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2k3k h SER 26 Cb 0.07 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2k3k h SER 26 CO -0.11 0.80 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.21 2k3k h LEU 27 N 0.68 -0.30 -1.36 5.07 3.38 -0.83 -1.28 115.31 120.67 2k3k h LEU 27 Ca 0.15 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2k3k h LEU 27 Cb 0.35 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2k3k h LEU 27 CO 0.00 -0.15 -0.27 0.22 0.09 0.00 0.00 178.44 178.33 2k3k h TYR 28 N -0.17 0.00 -0.08 1.13 3.20 -0.97 0.95 116.97 121.02 2k3k h TYR 28 Ca 0.04 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.77 2k3k h TYR 28 Cb 0.23 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2k3k h TYR 28 CO -0.17 0.27 -0.57 0.00 -1.64 0.00 0.00 178.16 176.06 2k3k h ALA 29 N 1.73 0.89 0.00 1.82 0.00 -0.14 -3.38 119.26 120.17 2k3k h ALA 29 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2k3k h ALA 29 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k3k h ALA 29 CO 0.04 0.70 -0.35 0.44 0.00 0.00 0.00 179.25 180.08 2k3k n ILE 30 N -3.90 0.00 -0.36 0.00 -5.35 -0.55 -4.69 119.36 104.51 2k3k n ILE 30 Ca -0.02 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.43 2k3k n ILE 30 Cb 0.59 -0.40 0.10 0.00 -1.74 0.00 0.00 39.64 38.19 2k3k n ILE 30 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2k3k h PHE 31 N 0.00 1.25 -0.61 4.28 -1.00 -0.98 -1.47 116.94 118.40 2k3k h PHE 31 Ca 0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 2k3k h PHE 31 Cb 0.35 -0.41 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 2k3k h PHE 31 CO 0.00 0.82 0.41 0.77 -1.61 0.00 0.00 178.31 178.70 2k3k h SER 32 N 1.31 0.65 0.00 2.17 0.02 -1.61 -1.39 113.55 114.70 2k3k h SER 32 Ca 0.34 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2k3k h SER 32 Cb -0.07 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2k3k h SER 32 CO -0.06 0.46 0.00 0.00 -1.14 0.00 0.00 176.83 176.08 2k3k n GLN 33 N -4.46 0.73 0.00 3.45 3.00 -0.56 -0.38 117.38 119.16 2k3k n GLN 33 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2k3k n GLN 33 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.86 2k3k n GLN 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2k3k n PHE 34 N -0.98 0.00 -0.18 1.08 3.72 -0.58 -4.93 117.46 115.59 2k3k n PHE 34 Ca 0.17 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2k3k n PHE 34 Cb 0.08 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2k3k n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k3k n GLY 35 N -0.20 0.01 2.32 1.37 0.00 -0.88 -2.65 105.19 105.16 2k3k n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3k n GLY 35 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k3k n GLN 36 N 0.00 -0.87 -1.35 1.61 -0.06 0.49 -4.30 117.38 112.89 2k3k n GLN 36 Ca 0.00 0.83 -0.36 0.00 -2.00 0.00 0.00 57.00 55.48 2k3k n GLN 36 Cb 0.01 -0.61 0.09 0.00 -4.06 0.00 0.00 30.24 25.66 2k3k n GLN 36 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2k3k n ILE 37 N 2.18 2.79 0.00 1.69 5.41 -1.26 -2.13 119.36 128.04 2k3k n ILE 37 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.39 2k3k n ILE 37 Cb 0.00 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 2k3k n ILE 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2k3k n LEU 38 N -1.75 1.99 -3.61 1.39 7.94 0.96 -4.59 117.00 119.34 2k3k n LEU 38 Ca 0.13 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.93 2k3k n LEU 38 Cb 0.49 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.41 2k3k n LEU 38 CO 0.49 0.33 0.32 -0.62 -1.11 0.00 0.00 177.39 176.80 2k3k s ASP 39 N -3.62 -0.37 0.01 1.96 2.15 -0.63 -4.98 116.67 111.20 2k3k s ASP 39 Ca 0.00 -0.28 0.01 0.00 0.43 0.00 0.00 52.55 52.71 2k3k s ASP 39 Cb 0.00 0.58 -0.01 0.00 -0.30 0.00 0.00 42.92 43.19 2k3k s ASP 39 CO 0.00 -1.01 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.32 2k3k s ILE 40 N -3.82 0.27 -0.28 4.11 1.01 -1.26 -0.43 121.20 120.80 2k3k s ILE 40 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 2k3k s ILE 40 Cb -0.01 -0.29 0.10 0.00 0.01 0.00 0.00 42.46 42.26 2k3k s ILE 40 CO -0.08 -0.12 0.12 -0.69 0.00 0.00 0.00 174.94 174.17 2k3k s VAL 41 N -0.58 0.13 0.11 2.92 1.01 0.11 -4.97 120.40 119.12 2k3k s VAL 41 Ca -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 2k3k s VAL 41 Cb -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2k3k s VAL 41 CO -0.00 -0.67 0.12 0.00 0.00 0.00 0.00 175.10 174.54 2k3k s ALA 42 N 2.00 0.34 0.06 5.51 0.00 -1.26 -0.97 121.76 127.45 2k3k s ALA 42 Ca 0.08 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 2k3k s ALA 42 Cb -0.16 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2k3k s ALA 42 CO -0.32 -0.50 0.00 -0.51 0.00 0.00 0.00 175.76 174.44 2k3k s LEU 43 N -2.96 2.30 0.48 0.00 1.43 -1.05 -5.00 118.68 113.88 2k3k s LEU 43 Ca 0.14 -0.99 0.27 0.00 -1.03 0.00 0.00 54.13 52.52 2k3k s LEU 43 Cb 0.06 0.30 1.17 0.00 0.03 0.00 0.00 46.19 47.75 2k3k s LEU 43 CO -0.04 -0.63 1.93 0.50 0.23 0.00 0.00 176.35 178.34 2k3k h LYS 44 N 3.08 0.00 -6.70 1.70 3.64 -1.98 -3.35 116.57 112.95 2k3k h LYS 44 Ca -0.34 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.50 2k3k h LYS 44 Cb 1.15 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 33.05 2k3k h LYS 44 CO 0.64 0.16 0.87 0.25 -2.27 0.00 0.00 179.45 179.10 2k3k n THR 45 N -3.41 0.64 -0.35 1.00 -2.24 -1.26 -4.87 114.28 103.79 2k3k n THR 45 Ca -0.00 -0.16 0.16 0.00 -2.27 0.00 0.00 64.05 61.78 2k3k n THR 45 Cb 0.35 -1.86 0.37 0.00 -2.10 0.00 0.00 70.33 67.09 2k3k n THR 45 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k3k h LEU 46 N 5.35 0.70 -2.15 3.22 5.85 -1.96 -0.32 115.31 126.00 2k3k h LEU 46 Ca -0.45 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2k3k h LEU 46 Cb 1.23 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2k3k h LEU 46 CO 0.84 0.16 0.29 0.50 -0.34 0.00 0.00 178.44 179.89 2k3k h LYS 47 N 0.63 0.00 -0.12 1.25 3.64 -1.91 -0.79 116.57 119.26 2k3k h LYS 47 Ca 0.62 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.87 2k3k h LYS 47 Cb 1.13 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.77 2k3k h LYS 47 CO -0.44 0.00 -0.72 -1.33 -2.27 0.00 0.00 179.45 174.69 2k3k n MET 48 N -3.15 1.43 -0.01 1.90 2.81 -0.13 -4.50 117.12 115.47 2k3k n MET 48 Ca -0.00 -3.08 -0.01 0.00 -1.81 0.00 0.00 57.70 52.80 2k3k n MET 48 Cb 0.37 -1.27 -0.02 0.00 -0.71 0.00 0.00 33.22 31.59 2k3k n MET 48 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2k3k n ARG 49 N -0.60 3.17 0.05 0.03 1.74 -0.32 -2.54 116.66 118.19 2k3k n ARG 49 Ca 0.18 -0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.38 2k3k n ARG 49 Cb 0.86 -1.07 0.49 0.00 -1.02 0.00 0.00 32.46 31.71 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k3k n GLY 50 N 2.77 -1.47 3.27 -0.13 0.00 -1.11 -4.04 105.19 104.49 2k3k n GLY 50 Ca -0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2k3k n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k3k s GLN 51 N -3.08 0.98 0.30 1.61 -2.07 -1.26 -2.06 119.66 114.08 2k3k s GLN 51 Ca 0.11 -0.88 -0.18 0.00 -1.82 0.00 0.00 55.36 52.58 2k3k s GLN 51 Cb 0.14 0.40 0.02 0.00 -1.09 0.00 0.00 33.01 32.48 2k3k s GLN 51 CO 0.50 -0.35 0.68 0.00 -1.32 0.00 0.00 175.29 174.80 2k3k s ALA 52 N -3.85 -0.90 0.10 2.60 0.00 -0.59 -4.47 121.76 114.65 2k3k s ALA 52 Ca 0.06 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2k3k s ALA 52 Cb 0.03 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 2k3k s ALA 52 CO -0.10 -0.99 -0.08 -0.06 0.00 0.00 0.00 175.76 174.53 2k3k s PHE 53 N -3.62 0.93 -0.08 0.00 0.40 -0.15 -0.66 117.98 114.80 2k3k s PHE 53 Ca 0.14 -0.80 -0.19 0.00 -0.60 0.00 0.00 56.93 55.48 2k3k s PHE 53 Cb -0.05 -0.53 0.04 0.00 0.51 0.00 0.00 43.02 43.00 2k3k s PHE 53 CO 0.09 -0.09 0.46 0.54 0.70 0.00 0.00 175.22 176.92 2k3k s VAL 54 N -3.08 0.02 -0.00 -0.44 0.11 -0.97 -0.71 120.40 115.33 2k3k s VAL 54 Ca 0.08 -0.19 0.08 0.00 -2.93 0.00 0.00 61.98 59.02 2k3k s VAL 54 Cb 0.01 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2k3k s VAL 54 CO -0.03 -0.10 -0.24 -0.63 -3.33 0.00 0.00 175.10 170.77 2k3k s ILE 55 N -0.73 1.92 0.26 7.04 1.09 0.43 -1.33 121.20 129.87 2k3k s ILE 55 Ca -0.08 -1.11 0.05 0.00 -1.10 0.00 0.00 60.65 58.41 2k3k s ILE 55 Cb -0.03 -1.61 -0.06 0.00 -1.06 0.00 0.00 42.46 39.71 2k3k s ILE 55 CO 0.04 0.47 -0.02 -0.36 -0.10 0.00 0.00 174.94 174.98 2k3k s PHE 56 N -0.63 1.74 0.06 3.97 0.40 0.10 -0.03 117.98 123.60 2k3k s PHE 56 Ca 0.10 -0.84 0.24 0.00 -0.60 0.00 0.00 56.93 55.83 2k3k s PHE 56 Cb -0.09 -1.02 0.84 0.00 0.51 0.00 0.00 43.02 43.26 2k3k s PHE 56 CO -0.00 0.09 1.79 0.87 0.70 0.00 0.00 175.22 178.66 2k3k h LYS 57 N 2.37 0.00 -3.50 0.44 1.57 -1.62 -3.43 116.57 112.40 2k3k h LYS 57 Ca -0.39 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.24 2k3k h LYS 57 Cb 1.23 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.33 2k3k h LYS 57 CO 0.66 0.21 -0.49 -1.21 -0.57 0.00 0.00 179.45 178.06 2k3k s GLU 58 N -3.55 0.49 0.31 3.15 2.02 -1.26 -5.07 118.70 114.78 2k3k s GLU 58 Ca 0.01 -0.39 0.06 0.00 0.02 0.00 0.00 54.97 54.68 2k3k s GLU 58 Cb 0.09 0.20 0.51 0.00 0.10 0.00 0.00 34.13 35.04 2k3k s GLU 58 CO 0.64 -0.12 1.75 -0.84 0.02 0.00 0.00 175.26 176.72 2k3k h ILE 59 N 4.26 1.27 -0.25 -1.63 3.07 -1.87 -0.41 117.51 121.96 2k3k h ILE 59 Ca -0.31 -1.29 -0.12 0.00 1.55 0.00 0.00 64.86 64.69 2k3k h ILE 59 Cb 1.19 1.49 -0.00 0.00 -0.27 0.00 0.00 36.82 39.23 2k3k h ILE 59 CO 0.41 0.39 -0.31 1.23 -1.05 0.00 0.00 178.15 178.82 2k3k h GLY 60 N 1.06 0.71 1.05 0.16 0.00 -1.98 -1.23 103.07 102.84 2k3k h GLY 60 Ca 0.04 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 2k3k h GLY 60 CO 0.05 0.68 0.16 1.76 0.00 0.00 0.00 176.54 179.19 2k3k h SER 61 N 0.37 1.02 -0.40 0.19 0.02 -1.79 -0.06 113.55 112.89 2k3k h SER 61 Ca 0.03 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2k3k h SER 61 Cb 0.88 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2k3k h SER 61 CO 0.07 0.99 0.21 0.00 -1.14 0.00 0.00 176.83 176.96 2k3k h ALA 62 N 1.07 0.50 -0.76 3.77 0.00 -1.03 -0.69 119.26 122.11 2k3k h ALA 62 Ca 0.21 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2k3k h ALA 62 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k3k h ALA 62 CO 0.00 -0.15 0.37 0.77 0.00 0.00 0.00 179.25 180.25 2k3k h SER 63 N 0.42 0.98 -0.39 0.00 0.02 -0.69 -0.94 113.55 112.94 2k3k h SER 63 Ca 0.17 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.85 2k3k h SER 63 Cb 0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2k3k h SER 63 CO -0.11 0.82 -0.37 -1.13 -1.14 0.00 0.00 176.83 174.90 2k3k h ASN 64 N 1.08 1.01 0.06 3.07 -1.24 -0.60 -0.17 115.58 118.79 2k3k h ASN 64 Ca 0.26 -0.46 0.01 0.00 0.71 0.00 0.00 56.30 56.82 2k3k h ASN 64 Cb 0.10 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 2k3k h ASN 64 CO -0.04 1.26 -0.08 0.00 -1.29 0.00 0.00 177.43 177.29 2k3k h ALA 65 N 0.78 -0.14 0.01 1.57 0.00 -0.86 0.45 119.26 121.07 2k3k h ALA 65 Ca 0.06 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k3k h ALA 65 Cb 0.97 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2k3k h ALA 65 CO 0.09 -0.60 -0.36 1.25 0.00 0.00 0.00 179.25 179.64 2k3k h LEU 66 N -0.17 -1.08 0.00 0.00 6.46 -1.07 -1.21 115.31 118.23 2k3k h LEU 66 Ca 0.01 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2k3k h LEU 66 Cb 0.18 0.43 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 2k3k h LEU 66 CO -0.04 -0.42 -0.00 -0.09 -0.62 0.00 0.00 178.44 177.27 2k3k h ARG 67 N -0.52 -0.00 -0.45 1.25 2.43 -0.83 -0.27 114.38 115.98 2k3k h ARG 67 Ca 0.05 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2k3k h ARG 67 Cb 0.60 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2k3k h ARG 67 CO -0.28 0.02 -0.06 1.15 -1.51 0.00 0.00 179.97 179.29 2k3k h THR 68 N -0.02 1.25 -0.00 0.20 2.02 -0.75 -2.75 112.91 112.86 2k3k h THR 68 Ca -0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2k3k h THR 68 Cb 0.02 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2k3k h THR 68 CO 0.00 0.38 -0.37 0.23 0.37 0.00 0.00 175.52 176.12 2k3k n MET 69 N -4.19 0.41 -1.68 6.66 2.81 -0.47 -4.71 117.12 115.96 2k3k n MET 69 Ca 0.02 -0.24 -0.45 0.00 -1.81 0.00 0.00 57.70 55.22 2k3k n MET 69 Cb 0.33 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 2k3k n MET 69 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2k3k n GLN 70 N -1.09 2.52 -0.84 0.03 -0.06 -0.13 -1.22 117.38 116.60 2k3k n GLN 70 Ca 0.09 0.92 0.00 0.00 -2.00 0.00 0.00 57.00 56.01 2k3k n GLN 70 Cb 0.34 -2.81 0.00 0.00 -4.06 0.00 0.00 30.24 23.71 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k3k n GLY 71 N 4.34 0.52 3.75 1.69 0.00 -0.48 -4.97 105.19 110.04 2k3k n GLY 71 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2k3k n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3k s PHE 72 N -2.50 3.47 -1.22 1.61 5.36 -0.35 -4.36 117.98 119.98 2k3k s PHE 72 Ca 0.00 1.56 -0.20 0.00 -0.96 0.00 0.00 56.93 57.33 2k3k s PHE 72 Cb 0.00 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 39.28 2k3k s PHE 72 CO 0.00 -0.94 1.88 -0.35 -1.46 0.00 0.00 175.22 174.35 2k3k n PRO 73 N 1.71 2.39 -0.13 10.12 -0.04 -1.26 -0.93 135.00 146.86 2k3k n PRO 73 Ca 0.01 -2.77 0.05 0.00 -0.04 0.00 0.00 63.50 60.75 2k3k n PRO 73 Cb 0.44 -3.51 0.36 0.00 -0.04 0.00 0.00 33.50 30.75 2k3k n PRO 73 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k3k h PHE 74 N 8.26 0.72 -0.86 0.54 3.57 -1.92 -3.45 116.94 123.79 2k3k h PHE 74 Ca 0.37 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2k3k h PHE 74 Cb 0.85 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.36 2k3k h PHE 74 CO 1.33 0.41 0.00 0.66 -2.23 0.00 0.00 178.31 178.48 2k3k n TYR 75 N -4.46 0.00 0.35 0.41 4.01 -1.26 -5.02 117.16 111.19 2k3k n TYR 75 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2k3k n TYR 75 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2k3k n TYR 75 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k3k n ASP 76 N 0.00 0.41 -3.89 7.72 2.03 -1.26 -4.53 116.55 117.03 2k3k n ASP 76 Ca 0.00 -0.70 -0.13 0.00 0.52 0.00 0.00 54.79 54.47 2k3k n ASP 76 Cb 0.00 -0.18 -0.14 0.00 -0.72 0.00 0.00 41.12 40.08 2k3k n ASP 76 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k3k s LYS 77 N -0.86 0.13 0.12 -0.67 1.02 -1.26 -5.05 119.74 113.17 2k3k s LYS 77 Ca 0.00 -0.04 -0.31 0.00 0.02 0.00 0.00 55.97 55.64 2k3k s LYS 77 Cb 0.00 -0.15 -0.08 0.00 -0.52 0.00 0.00 37.83 37.09 2k3k s LYS 77 CO 0.00 0.02 1.35 -1.25 -0.92 0.00 0.00 175.35 174.55 2k3k s PRO 78 N 0.05 4.35 0.67 -1.68 0.04 -1.26 -3.70 135.00 133.47 2k3k s PRO 78 Ca -0.00 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 2k3k s PRO 78 Cb -0.02 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2k3k s PRO 78 CO -0.00 -0.37 1.22 -1.64 0.04 0.00 0.00 177.00 176.25 2k3k s MET 79 N 0.84 2.50 -0.07 4.56 -1.94 -0.10 -4.79 119.30 120.29 2k3k s MET 79 Ca 0.62 1.83 0.01 0.00 -1.71 0.00 0.00 55.69 56.45 2k3k s MET 79 Cb -0.36 -1.87 0.02 0.00 2.01 0.00 0.00 34.83 34.63 2k3k s MET 79 CO 0.32 -1.58 -0.10 -0.65 -0.01 0.00 0.00 175.02 173.00 2k3k s GLN 80 N -3.63 1.53 0.05 2.03 -1.52 -0.56 -1.38 119.66 116.17 2k3k s GLN 80 Ca 0.77 -0.33 0.03 0.00 -1.95 0.00 0.00 55.36 53.88 2k3k s GLN 80 Cb -0.31 -1.37 -0.02 0.00 -0.22 0.00 0.00 33.01 31.09 2k3k s GLN 80 CO 0.40 -0.06 -0.09 0.42 -0.25 0.00 0.00 175.29 175.71 2k3k s ILE 81 N 0.95 0.68 0.15 1.08 1.01 -1.26 -0.33 121.20 123.49 2k3k s ILE 81 Ca -0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.43 2k3k s ILE 81 Cb -0.15 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 2k3k s ILE 81 CO 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 174.94 174.76 2k3k s ALA 82 N -1.29 0.67 1.14 9.38 0.00 -0.44 -4.93 121.76 126.29 2k3k s ALA 82 Ca -0.07 -1.35 -0.17 0.00 0.00 0.00 0.00 51.96 50.37 2k3k s ALA 82 Cb -0.10 0.96 0.26 0.00 0.00 0.00 0.00 23.12 24.24 2k3k s ALA 82 CO 0.01 -0.55 1.10 1.52 0.00 0.00 0.00 175.76 177.83 2k3k s TYR 83 N -4.05 1.03 0.07 0.00 1.13 -1.22 -0.61 117.35 113.71 2k3k s TYR 83 Ca 0.25 0.67 0.01 0.00 -1.41 0.00 0.00 57.07 56.58 2k3k s TYR 83 Cb 0.06 -3.38 -0.04 0.00 -1.10 0.00 0.00 41.96 37.51 2k3k s TYR 83 CO 0.03 -3.58 -0.05 -1.12 -2.51 0.00 0.00 175.55 168.32 2k3k s SER 84 N -3.71 0.84 -0.08 -0.18 0.01 -0.93 -4.36 113.70 105.30 2k3k s SER 84 Ca 0.69 -0.91 0.23 0.00 1.31 0.00 0.00 55.95 57.26 2k3k s SER 84 Cb -0.13 0.12 0.42 0.00 0.21 0.00 0.00 66.02 66.64 2k3k s SER 84 CO 0.57 -0.46 1.15 0.29 0.41 0.00 0.00 173.24 175.20 2k3k n LYS 85 N 0.31 0.50 -0.82 12.44 5.02 -1.26 -4.70 118.16 129.64 2k3k n LYS 85 Ca -0.15 -2.29 0.03 0.00 -2.02 0.00 0.00 58.31 53.88 2k3k n LYS 85 Cb 0.60 -0.37 0.04 0.00 -0.02 0.00 0.00 35.03 35.27 2k3k n LYS 85 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2k3k n SER 86 N 0.10 0.72 -0.17 4.39 7.64 -1.26 -4.90 113.62 120.14 2k3k n SER 86 Ca 0.03 -2.25 -0.02 0.00 1.01 0.00 0.00 58.87 57.64 2k3k n SER 86 Cb 1.01 -0.28 0.08 0.00 -1.01 0.00 0.00 64.21 64.01 2k3k n SER 86 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k3k h ASP 87 N 0.43 0.03 -0.25 6.43 3.58 -1.99 -0.86 116.42 123.79 2k3k h ASP 87 Ca -0.08 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2k3k h ASP 87 Cb 1.51 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 2k3k h ASP 87 CO 0.04 0.04 0.13 0.28 -2.88 0.00 0.00 179.24 176.85 2k3k h SER 88 N 0.26 0.35 0.08 2.28 0.02 -1.95 -1.10 113.55 113.49 2k3k h SER 88 Ca 0.27 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 61.00 2k3k h SER 88 Cb 0.36 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.83 2k3k h SER 88 CO -0.34 0.31 -0.81 -0.78 -1.14 0.00 0.00 176.83 174.07 2k3k h ASP 89 N 0.40 0.58 -0.40 3.07 3.58 -1.55 -0.84 116.42 121.26 2k3k h ASP 89 Ca 0.10 -0.84 -0.07 0.00 0.42 0.00 0.00 57.03 56.64 2k3k h ASP 89 Cb 0.05 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2k3k h ASP 89 CO -0.01 1.37 0.01 0.16 -2.88 0.00 0.00 179.24 177.88 2k3k h ILE 90 N -0.12 1.24 -0.36 2.25 3.07 -1.12 -0.35 117.51 122.12 2k3k h ILE 90 Ca -0.12 -0.98 -0.01 0.00 1.55 0.00 0.00 64.86 65.30 2k3k h ILE 90 Cb 1.56 0.87 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 2k3k h ILE 90 CO 0.16 0.35 0.20 0.58 -1.05 0.00 0.00 178.15 178.38 2k3k h VAL 91 N 0.73 1.14 -0.89 0.16 2.07 -1.21 -1.44 116.25 116.81 2k3k h VAL 91 Ca 0.15 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.34 2k3k h VAL 91 Cb 0.44 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2k3k h VAL 91 CO 0.02 0.15 0.59 0.00 0.02 0.00 0.00 177.57 178.34 2k3k h ALA 92 N 1.06 1.46 -0.27 1.67 0.00 -0.38 0.71 119.26 123.51 2k3k h ALA 92 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k3k h ALA 92 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2k3k h ALA 92 CO -0.02 0.44 -0.09 0.87 0.00 0.00 0.00 179.25 180.45 2k3k h LYS 93 N 1.09 0.55 0.00 0.00 1.79 -0.69 -3.19 116.57 116.11 2k3k h LYS 93 Ca 0.36 -0.22 -0.15 0.00 -2.18 0.00 0.00 60.65 58.47 2k3k h LYS 93 Cb 0.07 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 2k3k h LYS 93 CO -0.12 0.77 -0.69 -0.84 -1.08 0.00 0.00 179.45 177.49 2k3k h ILE 94 N 0.29 1.33 -0.13 1.86 3.07 -0.92 -3.43 117.51 119.58 2k3k h ILE 94 Ca 0.07 -2.52 0.00 0.00 1.55 0.00 0.00 64.86 63.96 2k3k h ILE 94 Cb 0.58 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.55 2k3k h ILE 94 CO 0.03 0.68 0.00 0.29 -1.05 0.00 0.00 178.15 178.10 2k3k n LYS 95 N -3.47 3.53 0.00 0.16 4.76 0.21 -5.08 118.16 118.27 2k3k n LYS 95 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k3k n LYS 95 Cb 0.74 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.93 2k3k n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3k n GLY 96 N 5.00 -0.06 0.08 0.72 0.00 0.16 -4.92 105.19 106.17 2k3k n GLY 96 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2k3k n GLY 96 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k3k h THR 97 N 0.00 1.49 0.00 2.61 1.35 -1.01 -3.47 112.91 113.87 2k3k h THR 97 Ca 0.00 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2k3k h THR 97 Cb 0.00 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2k3k h THR 97 CO 0.00 0.41 0.00 0.33 -0.25 0.00 0.00 175.52 176.01 2k3k n PHE 98 N -4.71 0.00 -0.70 4.73 7.35 -1.26 -4.95 117.46 117.92 2k3k n PHE 98 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 2k3k n PHE 98 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 2k3k n PHE 98 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2k3k n LYS 99 N 0.00 0.00 -2.91 -4.13 2.85 -1.26 -2.89 118.16 109.82 2k3k n LYS 99 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2k3k n LYS 99 Cb 0.00 -0.16 -0.03 0.00 -0.65 0.00 0.00 35.03 34.19 2k3k n LYS 99 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k3k n GLU 100 N 0.00 0.25 -4.06 -1.58 1.02 -1.26 -4.96 120.64 110.05 2k3k n GLU 100 Ca 0.00 -1.35 -0.14 0.00 -0.02 0.00 0.00 57.16 55.65 2k3k n GLU 100 Cb 0.11 1.06 -0.13 0.00 -0.02 0.00 0.00 31.44 32.46 2k3k n GLU 100 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2k3k s ARG 101 N -2.56 0.35 -0.40 3.49 3.52 -1.26 -0.43 118.95 121.66 2k3k s ARG 101 Ca 0.15 -0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 55.15 2k3k s ARG 101 Cb 0.01 -0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.12 2k3k s ARG 101 CO 0.11 0.06 2.08 -1.25 -0.81 0.00 0.00 175.30 175.48 2k3k s PRO 102 N -0.58 2.81 -0.26 5.12 0.04 -1.26 -4.84 135.00 136.03 2k3k s PRO 102 Ca -0.03 1.41 -0.34 0.00 0.04 0.00 0.00 61.00 62.07 2k3k s PRO 102 Cb -0.04 -4.38 -0.11 0.00 0.04 0.00 0.00 34.50 30.01 2k3k s PRO 102 CO -0.00 -2.48 2.09 1.63 0.04 0.00 0.00 177.00 178.29 2k3k n LYS 103 N 8.82 1.51 0.00 4.56 4.76 -1.26 -5.11 118.16 131.44 2k3k n LYS 103 Ca 0.28 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 2k3k n LYS 103 Cb 0.50 -2.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.06 2k3k n LYS 103 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20