#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4b n ASN 32 N 0.00 -1.30 -4.25 -2.13 2.85 -1.26 -5.20 115.26 103.97 2k4b n ASN 32 Ca 0.00 -2.43 -0.14 0.00 -0.11 0.00 0.00 54.58 51.90 2k4b n ASN 32 Cb 0.00 2.32 -0.10 0.00 1.24 0.00 0.00 39.78 43.23 2k4b n ASN 32 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2k4b s VAL 33 N -2.61 0.47 -0.24 3.44 -7.23 -1.26 -5.16 120.40 107.82 2k4b s VAL 33 Ca 0.20 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2k4b s VAL 33 Cb -0.02 -2.32 0.06 0.00 0.56 0.00 0.00 36.38 34.66 2k4b s VAL 33 CO 0.14 -0.26 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.04 2k4b s SER 34 N -3.20 4.04 0.34 4.85 0.15 -1.26 -5.09 113.70 113.53 2k4b s SER 34 Ca 0.30 -1.23 -0.09 0.00 0.70 0.00 0.00 55.95 55.64 2k4b s SER 34 Cb 0.07 -1.33 0.02 0.00 -1.71 0.00 0.00 66.02 63.07 2k4b s SER 34 CO 0.08 -0.21 0.58 0.21 1.20 0.00 0.00 173.24 175.10 2k4b s ASN 35 N 1.28 0.47 -0.06 5.45 3.84 -1.26 -5.09 114.94 119.57 2k4b s ASN 35 Ca -0.07 -1.28 -0.26 0.00 0.21 0.00 0.00 52.86 51.46 2k4b s ASN 35 Cb -0.19 0.72 -0.22 0.00 -0.55 0.00 0.00 41.25 41.00 2k4b s ASN 35 CO -0.06 -1.41 1.08 0.00 -2.79 0.00 0.00 177.10 173.93 2k4b h ALA 36 N 2.09 0.02 -1.61 1.71 0.00 -1.98 -3.49 119.26 116.00 2k4b h ALA 36 Ca -0.29 -0.37 0.18 0.00 0.00 0.00 0.00 54.91 54.43 2k4b h ALA 36 Cb 1.24 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 2k4b h ALA 36 CO 0.38 -0.08 0.70 -1.21 0.00 0.00 0.00 179.25 179.04 2k4b s GLU 37 N -3.44 0.45 0.50 0.00 0.41 -1.26 -5.02 118.70 110.34 2k4b s GLU 37 Ca -0.17 -0.07 0.19 0.00 -0.41 0.00 0.00 54.97 54.51 2k4b s GLU 37 Cb 0.00 0.21 1.25 0.00 -1.78 0.00 0.00 34.13 33.82 2k4b s GLU 37 CO 0.70 -0.18 2.09 1.25 -0.49 0.00 0.00 175.26 178.63 2k4b h LEU 38 N 2.14 0.00 -0.41 1.80 5.85 -2.01 -3.18 115.31 119.49 2k4b h LEU 38 Ca -0.14 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2k4b h LEU 38 Cb 1.18 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 2k4b h LEU 38 CO 0.26 0.09 -0.54 0.40 -0.34 0.00 0.00 178.44 178.32 2k4b h ILE 39 N 0.00 0.00 0.00 4.05 2.04 -2.00 -3.00 117.51 118.60 2k4b h ILE 39 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2k4b h ILE 39 Cb 0.18 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2k4b h ILE 39 CO 0.01 0.00 -0.16 -0.37 0.00 0.00 0.00 178.15 177.63 2k4b h VAL 40 N -0.37 0.68 0.00 1.67 -1.51 -1.96 -1.25 116.25 113.50 2k4b h VAL 40 Ca 0.07 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2k4b h VAL 40 Cb 0.57 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 2k4b h VAL 40 CO -0.59 0.16 0.00 0.80 -1.23 0.00 0.00 177.57 176.71 2k4b n MET 41 N -3.71 0.06 0.00 5.19 0.00 -1.13 -4.15 117.12 113.38 2k4b n MET 41 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.88 2k4b n MET 41 Cb 0.28 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 31.91 2k4b n MET 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2k4b n ARG 42 N -1.69 2.13 0.10 2.12 0.63 -0.52 -4.44 116.66 114.99 2k4b n ARG 42 Ca 0.05 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.84 2k4b n ARG 42 Cb 0.26 -0.92 -0.07 0.00 0.45 0.00 0.00 32.46 32.18 2k4b n ARG 42 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 2k4b h VAL 43 N 0.00 0.17 0.00 5.15 3.04 -1.60 -3.18 116.25 119.83 2k4b h VAL 43 Ca 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.59 2k4b h VAL 43 Cb 0.84 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2k4b h VAL 43 CO 0.00 0.00 -0.47 0.40 -1.01 0.00 0.00 177.57 176.49 2k4b h ILE 44 N -0.62 1.33 -0.28 3.17 2.04 -1.85 -2.01 117.51 119.29 2k4b h ILE 44 Ca 0.03 -1.63 0.07 0.00 1.00 0.00 0.00 64.86 64.33 2k4b h ILE 44 Cb 0.66 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2k4b h ILE 44 CO -0.26 0.46 0.20 -0.25 0.00 0.00 0.00 178.15 178.30 2k4b h TRP 45 N 0.00 0.07 0.04 1.37 2.91 -1.76 -0.96 115.95 117.62 2k4b h TRP 45 Ca -0.00 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.94 2k4b h TRP 45 Cb 0.84 -0.02 0.01 0.00 -0.51 0.00 0.00 29.16 29.48 2k4b h TRP 45 CO 0.00 0.04 -0.33 1.03 -1.03 0.00 0.00 178.44 178.14 2k4b h SER 46 N 0.07 0.22 -0.08 2.65 0.87 -1.41 -3.37 113.55 112.50 2k4b h SER 46 Ca 0.13 -0.92 -0.23 0.00 -1.23 0.00 0.00 61.79 59.55 2k4b h SER 46 Cb 0.42 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2k4b h SER 46 CO -0.01 1.12 -0.82 0.25 -0.53 0.00 0.00 176.83 176.84 2k4b h LEU 47 N -0.65 0.89 0.00 2.23 6.46 -1.53 -3.48 115.31 119.23 2k4b h LEU 47 Ca -0.05 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.10 2k4b h LEU 47 Cb 1.21 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 2k4b h LEU 47 CO 0.06 1.40 0.00 0.61 -0.62 0.00 0.00 178.44 179.89 2k4b n GLY 48 N 0.74 1.93 2.94 3.75 0.00 -0.38 -4.74 105.19 109.44 2k4b n GLY 48 Ca -0.08 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2k4b n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4b s GLU 49 N 0.00 1.71 0.04 1.61 2.12 -1.26 -3.98 118.70 118.94 2k4b s GLU 49 Ca 0.00 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2k4b s GLU 49 Cb 0.00 -2.34 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 2k4b s GLU 49 CO 0.00 -0.48 -0.10 0.00 -0.54 0.00 0.00 175.26 174.14 2k4b s ALA 50 N 1.48 0.83 0.64 6.30 0.00 -0.62 -4.94 121.76 125.45 2k4b s ALA 50 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2k4b s ALA 50 Cb -0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2k4b s ALA 50 CO -0.07 0.11 1.06 1.03 0.00 0.00 0.00 175.76 177.89 2k4b s ARG 51 N -1.20 3.09 0.25 0.00 3.00 -1.26 -0.52 118.95 122.30 2k4b s ARG 51 Ca -0.03 1.14 -0.05 0.00 0.00 0.00 0.00 55.73 56.79 2k4b s ARG 51 Cb -0.08 -2.00 0.46 0.00 0.00 0.00 0.00 34.95 33.33 2k4b s ARG 51 CO 0.01 -0.99 1.67 -0.24 0.00 0.00 0.00 175.30 175.74 2k4b h VAL 52 N -0.05 0.46 0.00 3.52 3.04 -1.96 -0.97 116.25 120.29 2k4b h VAL 52 Ca -0.46 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2k4b h VAL 52 Cb 1.22 0.23 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2k4b h VAL 52 CO 0.56 0.04 -0.01 -2.24 -1.01 0.00 0.00 177.57 174.92 2k4b h ASP 53 N 0.21 0.00 0.03 3.17 2.03 -1.93 -2.28 116.42 117.65 2k4b h ASP 53 Ca 0.42 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.72 2k4b h ASP 53 Cb 0.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 2k4b h ASP 53 CO -0.56 0.01 -0.02 -0.33 -1.03 0.00 0.00 179.24 177.31 2k4b h GLU 54 N 0.00 -0.04 -0.84 4.15 4.39 -1.58 -2.36 114.58 118.30 2k4b h GLU 54 Ca -0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2k4b h GLU 54 Cb 0.65 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 2k4b h GLU 54 CO 0.00 0.62 0.55 -0.84 -1.16 0.00 0.00 179.01 178.18 2k4b h ILE 55 N -0.78 1.06 -0.57 3.13 3.07 -1.34 -0.20 117.51 121.87 2k4b h ILE 55 Ca -0.00 -0.32 -0.03 0.00 1.55 0.00 0.00 64.86 66.06 2k4b h ILE 55 Cb 0.68 0.04 -0.03 0.00 -0.27 0.00 0.00 36.82 37.24 2k4b h ILE 55 CO 0.01 0.17 0.26 0.22 -1.05 0.00 0.00 178.15 177.76 2k4b h TYR 56 N 0.94 0.85 -0.01 0.16 3.20 -1.52 -3.30 116.97 117.27 2k4b h TYR 56 Ca 0.36 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2k4b h TYR 56 Cb 0.20 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 2k4b h TYR 56 CO -0.00 0.66 0.02 0.00 -1.64 0.00 0.00 178.16 177.20 2k4b h ALA 57 N 1.10 1.47 0.00 1.82 0.00 -0.46 -0.45 119.26 122.74 2k4b h ALA 57 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k4b h ALA 57 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k4b h ALA 57 CO -0.02 -0.02 0.00 1.96 0.00 0.00 0.00 179.25 181.16 2k4b h GLN 58 N 0.00 0.00 -4.04 0.00 7.50 -1.62 -3.43 115.11 113.53 2k4b h GLN 58 Ca 0.01 0.00 -0.74 0.00 0.50 0.00 0.00 58.65 58.41 2k4b h GLN 58 Cb 0.04 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 27.29 2k4b h GLN 58 CO -0.00 0.00 -0.23 0.42 -1.50 0.00 0.00 178.83 177.52 2k4b s ILE 59 N -3.29 4.67 -0.12 2.54 1.01 -0.18 -5.07 121.20 120.77 2k4b s ILE 59 Ca 0.06 -2.07 -0.29 0.00 0.00 0.00 0.00 60.65 58.35 2k4b s ILE 59 Cb 0.10 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2k4b s ILE 59 CO 0.49 -0.87 1.94 -2.16 0.00 0.00 0.00 174.94 174.35 2k4b s PRO 60 N 0.90 3.73 0.31 2.79 0.04 -1.26 -4.87 135.00 136.64 2k4b s PRO 60 Ca 0.10 2.16 0.23 0.00 0.04 0.00 0.00 61.00 63.53 2k4b s PRO 60 Cb -0.22 -4.19 1.13 0.00 0.04 0.00 0.00 34.50 31.26 2k4b s PRO 60 CO -0.02 -1.41 1.69 0.00 0.04 0.00 0.00 177.00 177.29 2k4b n GLN 61 N 7.95 0.16 0.06 4.56 -0.00 -1.26 -2.61 117.38 126.23 2k4b n GLN 61 Ca 0.23 0.58 0.11 0.00 -0.00 0.00 0.00 57.00 57.91 2k4b n GLN 61 Cb 0.43 -1.94 0.44 0.00 -0.00 0.00 0.00 30.24 29.17 2k4b n GLN 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2k4b n GLU 62 N -2.27 0.11 0.20 2.61 1.02 -1.26 -3.28 120.64 117.76 2k4b n GLU 62 Ca -0.00 0.26 -0.15 0.00 -0.02 0.00 0.00 57.16 57.25 2k4b n GLU 62 Cb 0.10 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 29.76 2k4b n GLU 62 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k4b h LEU 63 N 0.00 -1.22 0.00 -4.62 3.38 -1.91 -3.47 115.31 107.47 2k4b h LEU 63 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2k4b h LEU 63 Cb 0.41 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2k4b h LEU 63 CO 0.00 -0.53 0.00 -1.84 0.09 0.00 0.00 178.44 176.16 2k4b n GLU 64 N -4.99 0.00 -2.56 1.13 0.28 -1.21 -5.19 120.64 108.10 2k4b n GLU 64 Ca -0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.75 2k4b n GLU 64 Cb 0.37 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.30 2k4b n GLU 64 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 2k4b n TRP 65 N 0.00 -2.49 -4.27 -1.84 8.01 -1.23 -5.13 117.44 110.50 2k4b n TRP 65 Ca 0.00 -1.69 -0.15 0.00 -1.31 0.00 0.00 57.50 54.35 2k4b n TRP 65 Cb 0.00 -0.47 -0.10 0.00 -2.01 0.00 0.00 31.31 28.73 2k4b n TRP 65 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2k4b s SER 66 N -3.97 0.79 0.23 -0.99 0.01 -1.26 -4.73 113.70 103.78 2k4b s SER 66 Ca 0.50 -1.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.28 2k4b s SER 66 Cb -0.04 0.29 0.39 0.00 0.21 0.00 0.00 66.02 66.87 2k4b s SER 66 CO 0.32 -0.80 1.70 0.25 0.41 0.00 0.00 173.24 175.12 2k4b h LEU 67 N 2.46 0.06 -1.60 2.44 6.46 -1.98 -0.61 115.31 122.53 2k4b h LEU 67 Ca -0.36 0.12 0.17 0.00 -0.12 0.00 0.00 57.88 57.69 2k4b h LEU 67 Cb 1.25 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 41.28 2k4b h LEU 67 CO 0.56 0.01 0.53 0.00 -0.62 0.00 0.00 178.44 178.92 2k4b h ALA 68 N 1.54 2.20 0.15 1.25 0.00 -1.99 -1.42 119.26 121.00 2k4b h ALA 68 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2k4b h ALA 68 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k4b h ALA 68 CO -0.45 -0.43 -0.07 1.15 0.00 0.00 0.00 179.25 179.46 2k4b h THR 69 N 0.37 0.94 -0.62 0.00 2.02 -1.50 -1.54 112.91 112.57 2k4b h THR 69 Ca 0.40 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 2k4b h THR 69 Cb 1.00 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 2k4b h THR 69 CO -0.12 0.09 0.01 1.62 0.37 0.00 0.00 175.52 177.48 2k4b h VAL 70 N -0.37 1.27 -0.72 3.16 3.04 -1.30 0.91 116.25 122.24 2k4b h VAL 70 Ca -0.02 -1.16 0.13 0.00 -1.01 0.00 0.00 66.70 64.64 2k4b h VAL 70 Cb 0.30 0.78 -0.09 0.00 -2.01 0.00 0.00 31.29 30.27 2k4b h VAL 70 CO 0.03 0.42 0.28 0.11 -1.01 0.00 0.00 177.57 177.41 2k4b h LYS 71 N 0.99 0.43 0.15 4.17 1.79 -1.24 -0.11 116.57 122.76 2k4b h LYS 71 Ca 0.18 -0.03 -0.29 0.00 -2.18 0.00 0.00 60.65 58.33 2k4b h LYS 71 Cb 0.56 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2k4b h LYS 71 CO 0.03 0.28 -1.36 0.00 -1.08 0.00 0.00 179.45 177.33 2k4b h THR 72 N 0.44 1.38 -0.41 -0.16 1.03 -1.14 -3.26 112.91 110.79 2k4b h THR 72 Ca 0.38 -2.93 -0.01 0.00 -0.01 0.00 0.00 66.41 63.83 2k4b h THR 72 Cb 0.55 2.92 -0.02 0.00 -1.07 0.00 0.00 68.15 70.53 2k4b h THR 72 CO -0.37 0.86 0.20 0.25 -0.01 0.00 0.00 175.52 176.45 2k4b h LEU 73 N 0.09 0.53 -0.10 0.00 6.46 -0.41 -2.66 115.31 119.23 2k4b h LEU 73 Ca -0.18 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.50 2k4b h LEU 73 Cb 2.02 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 41.76 2k4b h LEU 73 CO 0.21 0.50 -0.30 -0.07 -0.62 0.00 0.00 178.44 178.16 2k4b h LEU 74 N 0.52 -0.93 -1.93 2.25 3.38 -1.16 -0.27 115.31 117.17 2k4b h LEU 74 Ca 0.14 0.13 0.19 0.00 0.09 0.00 0.00 57.88 58.43 2k4b h LEU 74 Cb 0.11 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2k4b h LEU 74 CO -0.02 -0.35 0.57 1.23 0.09 0.00 0.00 178.44 179.96 2k4b h GLY 75 N -0.40 0.00 0.84 0.83 0.00 -1.56 0.22 103.07 103.00 2k4b h GLY 75 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 2k4b h GLY 75 CO -0.32 0.00 -0.68 3.21 0.00 0.00 0.00 176.54 178.75 2k4b h ARG 76 N 0.00 0.44 -0.32 4.80 2.47 -0.73 -1.57 114.38 119.47 2k4b h ARG 76 Ca 0.31 -0.49 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 2k4b h ARG 76 Cb 1.45 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.89 2k4b h ARG 76 CO -0.00 1.14 0.17 -0.07 0.56 0.00 0.00 179.97 181.77 2k4b h LEU 77 N -0.05 0.41 -0.39 3.04 3.38 0.20 -2.15 115.31 119.75 2k4b h LEU 77 Ca -0.09 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2k4b h LEU 77 Cb 1.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2k4b h LEU 77 CO 0.13 0.39 -0.18 -0.37 0.09 0.00 0.00 178.44 178.50 2k4b h VAL 78 N 0.39 1.28 0.00 1.22 -1.51 -0.92 -2.32 116.25 114.39 2k4b h VAL 78 Ca 0.11 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 2k4b h VAL 78 Cb 0.08 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2k4b h VAL 78 CO -0.02 0.44 0.00 0.29 -1.23 0.00 0.00 177.57 177.05 2k4b n LYS 79 N -4.26 0.16 0.00 5.19 4.76 -0.59 -4.41 118.16 119.01 2k4b n LYS 79 Ca -0.02 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2k4b n LYS 79 Cb 0.42 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2k4b n LYS 79 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4b n LYS 80 N -2.03 0.00 -0.07 1.97 5.02 -0.81 -5.06 118.16 117.18 2k4b n LYS 80 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2k4b n LYS 80 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 2k4b n LYS 80 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2k4b n GLU 81 N 0.00 0.00 -0.13 1.97 2.13 -0.92 -5.02 120.64 118.68 2k4b n GLU 81 Ca 0.00 -0.04 -0.19 0.00 0.66 0.00 0.00 57.16 57.59 2k4b n GLU 81 Cb 0.00 -0.04 -0.12 0.00 0.27 0.00 0.00 31.44 31.56 2k4b n GLU 81 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k4b n MET 82 N 0.00 0.63 -3.26 5.31 2.81 -0.94 -5.07 117.12 116.60 2k4b n MET 82 Ca 0.00 0.16 -0.09 0.00 -1.81 0.00 0.00 57.70 55.97 2k4b n MET 82 Cb 0.50 -1.51 0.01 0.00 -0.71 0.00 0.00 33.22 31.51 2k4b n MET 82 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2k4b n LEU 83 N -3.36 0.00 -4.39 4.03 -0.00 -1.26 -4.60 117.00 107.42 2k4b n LEU 83 Ca -0.46 -2.09 -0.20 0.00 -0.00 0.00 0.00 56.01 53.25 2k4b n LEU 83 Cb 0.97 2.64 -0.09 0.00 -0.00 0.00 0.00 43.42 46.94 2k4b n LEU 83 CO 0.23 -0.62 -0.22 -0.44 -0.00 0.00 0.00 177.39 176.34 2k4b s SER 84 N -2.64 1.88 -0.15 1.45 0.01 -0.51 -4.21 113.70 109.52 2k4b s SER 84 Ca 0.16 -1.52 -0.20 0.00 1.31 0.00 0.00 55.95 55.71 2k4b s SER 84 Cb -0.03 0.28 0.05 0.00 0.21 0.00 0.00 66.02 66.54 2k4b s SER 84 CO 0.12 -0.82 0.52 0.28 0.41 0.00 0.00 173.24 173.76 2k4b s THR 85 N -3.50 0.01 0.23 1.44 -1.32 -1.26 -1.25 115.64 109.99 2k4b s THR 85 Ca 0.34 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 2k4b s THR 85 Cb 0.06 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.23 2k4b s THR 85 CO 0.16 -0.04 0.09 -1.61 -2.21 0.00 0.00 174.62 171.01 2k4b s GLU 86 N -0.18 1.31 -0.15 7.08 2.02 0.16 -4.97 118.70 123.97 2k4b s GLU 86 Ca -0.04 -1.69 -0.07 0.00 0.02 0.00 0.00 54.97 53.19 2k4b s GLU 86 Cb -0.03 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 34.01 2k4b s GLU 86 CO 0.03 -0.29 0.10 0.15 0.02 0.00 0.00 175.26 175.27 2k4b s LYS 87 N -4.04 3.74 -0.03 1.61 1.02 -1.26 -0.33 119.74 120.45 2k4b s LYS 87 Ca 0.35 -0.23 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 2k4b s LYS 87 Cb 0.07 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 2k4b s LYS 87 CO 0.11 0.51 0.05 -1.21 -0.92 0.00 0.00 175.35 173.90 2k4b s GLU 88 N -0.28 0.01 4.32 1.68 0.41 -0.41 -4.95 118.70 119.48 2k4b s GLU 88 Ca 0.10 0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.85 2k4b s GLU 88 Cb -0.12 -0.16 0.00 0.00 -1.78 0.00 0.00 34.13 32.07 2k4b s GLU 88 CO 0.01 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 2k4b n GLY 89 N 3.89 3.16 0.06 -1.39 0.00 -1.26 -1.46 105.19 108.19 2k4b n GLY 89 Ca -0.23 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.91 2k4b n GLY 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k4b n ARG 90 N 14.00 0.13 -4.71 1.61 0.63 -1.26 -4.97 116.66 122.10 2k4b n ARG 90 Ca 0.00 0.13 -0.31 0.00 -0.92 0.00 0.00 57.85 56.75 2k4b n ARG 90 Cb 0.00 -1.66 -0.08 0.00 0.45 0.00 0.00 32.46 31.17 2k4b n ARG 90 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2k4b s LYS 91 N -3.06 2.13 0.22 -0.14 1.02 -0.53 -5.16 119.74 114.22 2k4b s LYS 91 Ca 0.12 -2.34 0.03 0.00 0.02 0.00 0.00 55.97 53.79 2k4b s LYS 91 Cb 0.15 -1.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 2k4b s LYS 91 CO 0.55 -0.35 0.37 -0.06 -0.92 0.00 0.00 175.35 174.93 2k4b s PHE 92 N -2.92 3.47 -0.06 3.18 0.08 -1.26 -1.28 117.98 119.19 2k4b s PHE 92 Ca 0.11 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.31 2k4b s PHE 92 Cb 0.02 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 2k4b s PHE 92 CO 0.06 0.41 -0.13 0.08 -0.10 0.00 0.00 175.22 175.54 2k4b s VAL 93 N -1.94 1.15 -0.18 -0.44 1.01 0.55 -3.41 120.40 117.14 2k4b s VAL 93 Ca 0.36 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2k4b s VAL 93 Cb -0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2k4b s VAL 93 CO 0.30 0.35 -0.08 -0.31 0.00 0.00 0.00 175.10 175.36 2k4b s TYR 94 N 0.53 2.90 0.09 5.22 1.51 0.32 -0.66 117.35 127.26 2k4b s TYR 94 Ca -0.12 -0.84 0.04 0.00 -1.01 0.00 0.00 57.07 55.13 2k4b s TYR 94 Cb -0.15 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 2k4b s TYR 94 CO 0.03 -0.42 -0.10 1.03 -1.11 0.00 0.00 175.55 174.98 2k4b s ARG 95 N 1.02 0.80 0.88 -0.62 0.52 -0.38 -1.60 118.95 119.57 2k4b s ARG 95 Ca -0.00 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.00 2k4b s ARG 95 Cb -0.15 -0.53 0.12 0.00 0.52 0.00 0.00 34.95 34.92 2k4b s ARG 95 CO -0.01 0.09 1.10 -1.25 0.02 0.00 0.00 175.30 175.25 2k4b s PRO 96 N -2.54 1.36 0.24 3.54 0.04 -1.26 -1.43 135.00 134.96 2k4b s PRO 96 Ca 0.03 0.67 0.24 0.00 0.04 0.00 0.00 61.00 61.97 2k4b s PRO 96 Cb -0.04 -1.83 0.41 0.00 0.04 0.00 0.00 34.50 33.07 2k4b s PRO 96 CO 0.00 -2.13 1.46 1.25 0.04 0.00 0.00 177.00 177.62 2k4b h LEU 97 N -1.46 0.00 -3.18 -3.56 7.12 -1.93 -3.44 115.31 108.86 2k4b h LEU 97 Ca -0.50 -0.06 -0.32 0.00 0.13 0.00 0.00 57.88 57.13 2k4b h LEU 97 Cb 1.29 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 41.44 2k4b h LEU 97 CO 0.57 0.03 -0.70 0.23 -0.13 0.00 0.00 178.44 178.44 2k4b n MET 98 N -2.50 -1.36 0.00 1.25 2.81 -1.26 -5.11 117.12 110.94 2k4b n MET 98 Ca 0.03 0.91 0.02 0.00 -1.81 0.00 0.00 57.70 56.86 2k4b n MET 98 Cb 0.48 -3.86 0.02 0.00 -0.71 0.00 0.00 33.22 29.14 2k4b n MET 98 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87