#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m n ALA 2 N 0.00 0.00 -3.66 3.04 0.00 -1.26 -4.53 120.51 114.10 2k8m n ALA 2 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2k8m n ALA 2 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2k8m n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k8m n ALA 3 N -3.00 -1.51 -1.80 0.00 0.00 -1.26 -4.97 120.51 107.97 2k8m n ALA 3 Ca 0.00 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 2k8m n ALA 3 Cb 0.00 -4.30 -0.07 0.00 0.00 0.00 0.00 19.45 15.09 2k8m n ALA 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k8m s GLU 4 N -6.19 4.35 0.66 0.00 1.03 -1.26 -5.05 118.70 112.25 2k8m s GLU 4 Ca 0.44 1.23 -0.12 0.00 0.03 0.00 0.00 54.97 56.55 2k8m s GLU 4 Cb -0.20 -2.44 -0.01 0.00 -0.80 0.00 0.00 34.13 30.68 2k8m s GLU 4 CO 0.77 0.07 1.05 -1.25 -1.33 0.00 0.00 175.26 174.57 2k8m s PRO 5 N -2.71 3.13 0.00 -4.83 0.04 -1.26 -5.09 135.00 124.28 2k8m s PRO 5 Ca 0.57 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2k8m s PRO 5 Cb -0.14 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2k8m s PRO 5 CO 0.18 -0.95 0.00 1.28 0.04 0.00 0.00 177.00 177.55 2k8m n LEU 6 N -2.82 0.00 -4.77 -3.56 4.77 -1.26 -5.09 117.00 104.27 2k8m n LEU 6 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 2k8m n LEU 6 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2k8m n LEU 6 CO 0.54 -0.19 0.77 -0.89 -1.33 0.00 0.00 177.39 176.29 2k8m s THR 7 N 1.07 3.16 0.17 -5.08 2.01 -1.26 -4.80 115.64 110.91 2k8m s THR 7 Ca 0.00 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.37 2k8m s THR 7 Cb 0.00 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.33 2k8m s THR 7 CO 0.00 -0.24 1.56 -0.33 -0.69 0.00 0.00 174.62 174.92 2k8m h GLU 8 N 0.67 -0.16 -0.02 4.92 5.08 -2.00 0.13 114.58 123.19 2k8m h GLU 8 Ca -0.49 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 2k8m h GLU 8 Cb 1.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2k8m h GLU 8 CO 0.55 -0.11 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.17 2k8m h LEU 9 N -0.17 0.03 -1.14 1.33 4.07 -1.99 -2.06 115.31 115.38 2k8m h LEU 9 Ca 0.18 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 2k8m h LEU 9 Cb 0.54 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2k8m h LEU 9 CO -0.78 0.26 -0.28 -0.33 -1.08 0.00 0.00 178.44 176.23 2k8m h GLU 10 N 0.03 0.25 0.04 1.13 5.08 -1.15 -1.37 114.58 118.59 2k8m h GLU 10 Ca 0.00 -0.09 -0.24 0.00 -1.00 0.00 0.00 59.36 58.04 2k8m h GLU 10 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k8m h GLU 10 CO 0.03 0.51 -1.02 0.93 -1.00 0.00 0.00 179.01 178.46 2k8m h GLU 11 N 0.22 0.39 -0.32 2.33 5.08 -0.58 -2.44 114.58 119.27 2k8m h GLU 11 Ca 0.03 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2k8m h GLU 11 Cb 0.61 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2k8m h GLU 11 CO 0.04 1.14 -0.10 0.77 -1.00 0.00 0.00 179.01 179.86 2k8m h SER 12 N 0.20 0.52 1.59 1.42 0.02 -0.98 -2.31 113.55 114.01 2k8m h SER 12 Ca -0.10 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 2k8m h SER 12 Cb 1.68 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.07 2k8m h SER 12 CO 0.18 0.67 -0.42 0.16 -1.14 0.00 0.00 176.83 176.27 2k8m h ILE 13 N 0.50 0.46 -0.09 3.27 3.07 -1.27 -3.25 117.51 120.19 2k8m h ILE 13 Ca 0.09 -1.66 -0.02 0.00 1.55 0.00 0.00 64.86 64.82 2k8m h ILE 13 Cb 0.49 2.17 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 2k8m h ILE 13 CO 0.03 0.26 -0.04 -0.33 -1.05 0.00 0.00 178.15 177.02 2k8m h GLU 14 N 0.00 0.19 -0.55 0.16 4.39 -0.91 -2.08 114.58 115.78 2k8m h GLU 14 Ca -0.01 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2k8m h GLU 14 Cb 1.23 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 2k8m h GLU 14 CO 0.04 0.53 0.30 0.00 -1.16 0.00 0.00 179.01 178.71 2k8m h THR 15 N -0.16 1.18 -0.57 1.13 1.03 -1.56 -0.57 112.91 113.39 2k8m h THR 15 Ca 0.02 -0.48 -0.11 0.00 -0.01 0.00 0.00 66.41 65.84 2k8m h THR 15 Cb 0.47 0.50 -0.02 0.00 -1.07 0.00 0.00 68.15 68.04 2k8m h THR 15 CO 0.01 0.20 -0.06 -0.37 -0.01 0.00 0.00 175.52 175.29 2k8m h VAL 16 N 0.73 1.27 -0.54 0.00 -1.51 -1.59 -1.81 116.25 112.80 2k8m h VAL 16 Ca 0.19 -1.22 -0.06 0.00 -1.23 0.00 0.00 66.70 64.38 2k8m h VAL 16 Cb 0.06 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 30.08 2k8m h VAL 16 CO -0.03 0.44 0.08 0.58 -1.23 0.00 0.00 177.57 177.40 2k8m h VAL 17 N 0.94 1.24 0.35 7.19 2.07 -1.14 0.99 116.25 127.89 2k8m h VAL 17 Ca 0.15 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2k8m h VAL 17 Cb 0.63 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2k8m h VAL 17 CO 0.04 0.34 -0.17 0.74 0.02 0.00 0.00 177.57 178.54 2k8m h THR 18 N 0.81 0.67 -0.85 2.57 2.02 -0.77 0.16 112.91 117.52 2k8m h THR 18 Ca 0.17 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.30 2k8m h THR 18 Cb 0.38 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 2k8m h THR 18 CO 0.01 0.01 0.54 0.74 0.37 0.00 0.00 175.52 177.20 2k8m h THR 19 N -0.49 1.23 -0.17 3.16 2.02 -1.13 0.31 112.91 117.82 2k8m h THR 19 Ca -0.05 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.71 2k8m h THR 19 Cb 0.37 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2k8m h THR 19 CO 0.08 0.22 0.04 0.15 0.37 0.00 0.00 175.52 176.39 2k8m h PHE 20 N 1.16 0.08 -0.15 3.16 3.57 -0.50 -2.03 116.94 122.23 2k8m h PHE 20 Ca 0.31 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.72 2k8m h PHE 20 Cb -0.10 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2k8m h PHE 20 CO -0.01 0.03 -0.33 0.35 -2.23 0.00 0.00 178.31 176.12 2k8m h PHE 21 N 0.12 0.35 0.00 0.41 3.57 -0.29 0.16 116.94 121.25 2k8m h PHE 21 Ca 0.08 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2k8m h PHE 21 Cb 0.06 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2k8m h PHE 21 CO -0.12 0.61 -0.26 1.15 -2.23 0.00 0.00 178.31 177.45 2k8m h THR 22 N 0.26 1.18 0.00 4.41 2.02 -0.45 -2.84 112.91 117.49 2k8m h THR 22 Ca 0.03 -0.91 -0.30 0.00 0.77 0.00 0.00 66.41 66.01 2k8m h THR 22 Cb 0.72 1.49 -0.05 0.00 -1.74 0.00 0.00 68.15 68.57 2k8m h THR 22 CO 0.05 0.26 -1.78 0.49 0.37 0.00 0.00 175.52 174.91 2k8m n PHE 23 N -4.21 0.89 -0.88 3.16 3.01 -0.81 -4.28 117.46 114.34 2k8m n PHE 23 Ca -0.02 0.32 -0.09 0.00 1.01 0.00 0.00 57.45 58.67 2k8m n PHE 23 Cb 0.32 -1.17 -0.13 0.00 -0.01 0.00 0.00 39.48 38.49 2k8m n PHE 23 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k8m n ALA 24 N -2.58 5.81 -2.21 4.37 0.00 0.01 -3.18 120.51 122.72 2k8m n ALA 24 Ca -0.19 -1.39 -0.04 0.00 0.00 0.00 0.00 53.44 51.82 2k8m n ALA 24 Cb 1.06 -2.01 0.01 0.00 0.00 0.00 0.00 19.45 18.52 2k8m n ALA 24 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k8m n ARG 25 N 2.27 0.47 -0.13 0.00 1.85 -1.25 -3.82 116.66 116.04 2k8m n ARG 25 Ca 0.33 -0.88 -0.22 0.00 -1.00 0.00 0.00 57.85 56.08 2k8m n ARG 25 Cb 0.82 0.43 -0.11 0.00 -1.05 0.00 0.00 32.46 32.55 2k8m n ARG 25 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2k8m n GLN 26 N -0.53 0.63 -0.04 2.89 -0.06 -1.19 -4.84 117.38 114.24 2k8m n GLN 26 Ca -0.19 0.21 -0.05 0.00 -2.00 0.00 0.00 57.00 54.96 2k8m n GLN 26 Cb 0.69 -1.52 -0.02 0.00 -4.06 0.00 0.00 30.24 25.33 2k8m n GLN 26 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2k8m n GLU 27 N -3.65 0.29 0.00 3.69 1.02 -1.26 -5.13 120.64 115.61 2k8m n GLU 27 Ca -0.48 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2k8m n GLU 27 Cb 0.95 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 2k8m n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8m n GLY 28 N 2.09 0.43 2.54 0.62 0.00 -1.26 -5.09 105.19 104.52 2k8m n GLY 28 Ca -0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 2k8m n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8m n ARG 29 N -0.02 -2.10 -1.71 1.61 1.74 -1.26 -4.80 116.66 110.11 2k8m n ARG 29 Ca 0.00 1.92 -0.34 0.00 -0.77 0.00 0.00 57.85 58.65 2k8m n ARG 29 Cb 0.00 -4.73 -0.06 0.00 -1.02 0.00 0.00 32.46 26.65 2k8m n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2k8m n LYS 30 N -0.13 1.55 0.00 5.56 2.85 -1.25 -2.14 118.16 124.60 2k8m n LYS 30 Ca 0.07 -2.22 0.00 0.00 -1.05 0.00 0.00 58.31 55.11 2k8m n LYS 30 Cb 0.28 -3.41 0.00 0.00 -0.65 0.00 0.00 35.03 31.24 2k8m n LYS 30 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k8m n ASP 31 N 11.76 0.00 -4.18 -5.58 2.03 -1.26 -5.06 116.55 114.26 2k8m n ASP 31 Ca 0.47 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.65 2k8m n ASP 31 Cb 0.44 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.74 2k8m n ASP 31 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2k8m s SER 32 N 0.00 1.35 -0.21 1.67 0.01 -0.91 -3.07 113.70 112.55 2k8m s SER 32 Ca 0.00 -0.94 -0.05 0.00 1.31 0.00 0.00 55.95 56.27 2k8m s SER 32 Cb 0.00 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 2k8m s SER 32 CO 0.00 -0.37 0.01 -0.76 0.41 0.00 0.00 173.24 172.53 2k8m s LEU 33 N -2.85 3.28 1.08 2.44 2.01 0.90 -4.71 118.68 120.83 2k8m s LEU 33 Ca 0.10 -0.20 -0.17 0.00 0.01 0.00 0.00 54.13 53.87 2k8m s LEU 33 Cb 0.02 -1.84 0.23 0.00 0.01 0.00 0.00 46.19 44.61 2k8m s LEU 33 CO -0.02 0.05 1.18 -0.44 1.01 0.00 0.00 176.35 178.13 2k8m s SER 34 N 1.10 2.05 0.10 2.29 0.01 -1.26 -0.30 113.70 117.68 2k8m s SER 34 Ca 0.03 0.59 -0.26 0.00 1.31 0.00 0.00 55.95 57.61 2k8m s SER 34 Cb -0.14 -0.83 -0.13 0.00 0.21 0.00 0.00 66.02 65.13 2k8m s SER 34 CO 0.02 -3.42 1.68 0.58 0.41 0.00 0.00 173.24 172.50 2k8m h VAL 35 N -2.10 0.64 -0.48 3.43 2.07 -2.00 0.13 116.25 117.93 2k8m h VAL 35 Ca -0.46 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 2k8m h VAL 35 Cb 1.28 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2k8m h VAL 35 CO 0.40 0.00 0.05 -1.13 0.02 0.00 0.00 177.57 176.92 2k8m h ASN 36 N -0.37 0.78 -0.78 0.57 -1.24 -1.95 -1.92 115.58 110.65 2k8m h ASN 36 Ca -0.00 -0.28 0.01 0.00 0.71 0.00 0.00 56.30 56.74 2k8m h ASN 36 Cb 0.34 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 2k8m h ASN 36 CO -0.03 0.86 0.52 -0.33 -1.29 0.00 0.00 177.43 177.16 2k8m h GLU 37 N 0.67 1.02 -0.71 6.67 5.08 -1.87 0.13 114.58 125.56 2k8m h GLU 37 Ca 0.14 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k8m h GLU 37 Cb 0.43 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2k8m h GLU 37 CO 0.01 0.67 0.28 0.35 -1.00 0.00 0.00 179.01 179.33 2k8m h PHE 38 N 1.05 1.08 -0.46 4.33 3.57 -0.57 -2.58 116.94 123.37 2k8m h PHE 38 Ca 0.29 -0.08 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 2k8m h PHE 38 Cb -0.10 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.30 2k8m h PHE 38 CO -0.02 0.83 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.57 2k8m h LYS 39 N 1.02 0.82 0.00 1.11 3.64 -0.67 -2.47 116.57 120.02 2k8m h LYS 39 Ca 0.24 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2k8m h LYS 39 Cb 0.21 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2k8m h LYS 39 CO -0.02 0.89 -0.06 0.93 -2.27 0.00 0.00 179.45 178.92 2k8m h GLU 40 N 0.74 0.00 0.21 1.90 5.08 -0.60 0.16 114.58 122.07 2k8m h GLU 40 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2k8m h GLU 40 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k8m h GLU 40 CO 0.04 0.06 -0.10 1.25 -1.00 0.00 0.00 179.01 179.26 2k8m h LEU 41 N 0.00 -0.24 -0.48 1.33 7.12 -1.17 -3.23 115.31 118.64 2k8m h LEU 41 Ca -0.00 -0.29 -0.15 0.00 0.13 0.00 0.00 57.88 57.57 2k8m h LEU 41 Cb 0.16 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 2k8m h LEU 41 CO 0.01 0.27 -0.32 -0.37 -0.13 0.00 0.00 178.44 177.90 2k8m h VAL 42 N -0.86 1.27 -0.13 1.05 -1.51 -1.44 -0.84 116.25 113.80 2k8m h VAL 42 Ca -0.03 -1.49 -0.07 0.00 -1.23 0.00 0.00 66.70 63.88 2k8m h VAL 42 Cb 0.51 1.30 -0.04 0.00 -2.13 0.00 0.00 31.29 30.94 2k8m h VAL 42 CO 0.05 0.50 0.09 0.41 -1.23 0.00 0.00 177.57 177.38 2k8m n THR 43 N -4.07 1.37 0.09 7.19 -1.04 0.03 -2.19 114.28 115.66 2k8m n THR 43 Ca -0.01 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2k8m n THR 43 Cb 0.51 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2k8m n THR 43 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2k8m n GLN 44 N 0.38 0.00 -0.34 -2.82 7.27 -1.13 -4.94 117.38 115.80 2k8m n GLN 44 Ca 0.08 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.23 2k8m n GLN 44 Cb 0.64 0.00 0.21 0.00 2.41 0.00 0.00 30.24 33.50 2k8m n GLN 44 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2k8m n GLN 45 N -2.96 2.26 -2.70 3.69 6.02 -0.33 -4.70 117.38 118.66 2k8m n GLN 45 Ca 0.00 -2.79 -0.06 0.00 -0.01 0.00 0.00 57.00 54.14 2k8m n GLN 45 Cb 0.00 -1.72 0.08 0.00 1.02 0.00 0.00 30.24 29.62 2k8m n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2k8m n LEU 46 N -0.88 -0.21 -1.83 1.08 7.94 -0.93 -4.93 117.00 117.25 2k8m n LEU 46 Ca 0.20 -3.48 -0.10 0.00 -1.11 0.00 0.00 56.01 51.53 2k8m n LEU 46 Cb 0.81 0.23 0.21 0.00 0.53 0.00 0.00 43.42 45.20 2k8m n LEU 46 CO 0.10 1.65 0.98 -0.81 -1.11 0.00 0.00 177.39 178.21 2k8m n PRO 47 N -0.51 2.74 0.10 1.96 -0.04 -1.24 -4.03 135.00 133.98 2k8m n PRO 47 Ca 0.01 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 2k8m n PRO 47 Cb 0.84 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2k8m n PRO 47 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2k8m n HIS 48 N -0.33 -1.39 0.25 0.54 -0.00 -1.26 -4.86 115.22 108.18 2k8m n HIS 48 Ca 0.38 0.25 -0.14 0.00 -0.00 0.00 0.00 57.72 58.20 2k8m n HIS 48 Cb 1.27 0.33 -0.08 0.00 -0.00 0.00 0.00 29.99 31.51 2k8m n HIS 48 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2k8m h LEU 49 N 0.00 -0.54 -7.76 0.27 5.85 -1.95 -3.39 115.31 107.78 2k8m h LEU 49 Ca 0.00 -0.08 -0.70 0.00 0.84 0.00 0.00 57.88 57.94 2k8m h LEU 49 Cb 0.03 0.14 -0.34 0.00 0.37 0.00 0.00 40.66 40.86 2k8m h LEU 49 CO 0.00 -0.21 -0.47 -0.22 -0.34 0.00 0.00 178.44 177.20 2k8m s LEU 50 N -9.64 5.32 -1.27 2.25 0.20 -1.26 -4.98 118.68 109.30 2k8m s LEU 50 Ca -0.15 -2.27 -0.14 0.00 0.69 0.00 0.00 54.13 52.26 2k8m s LEU 50 Cb 0.02 -1.86 0.13 0.00 -0.43 0.00 0.00 46.19 44.05 2k8m s LEU 50 CO 0.53 -0.51 1.65 2.29 -0.29 0.00 0.00 176.35 180.02 2k8m n LYS 51 N 4.29 3.32 -3.34 1.98 -0.00 -1.26 -4.64 118.16 118.52 2k8m n LYS 51 Ca 0.00 -3.54 -0.12 0.00 -0.00 0.00 0.00 58.31 54.64 2k8m n LYS 51 Cb 0.40 -3.17 -0.07 0.00 -0.00 0.00 0.00 35.03 32.20 2k8m n LYS 51 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2k8m s ASP 52 N 2.91 0.79 0.00 -5.58 -1.08 -1.26 -4.97 116.67 107.47 2k8m s ASP 52 Ca 0.46 -0.82 0.12 0.00 -0.52 0.00 0.00 52.55 51.78 2k8m s ASP 52 Cb 0.02 0.87 0.16 0.00 -1.46 0.00 0.00 42.92 42.51 2k8m s ASP 52 CO 0.02 -0.33 0.99 1.33 0.52 0.00 0.00 175.17 177.70 2k8m n VAL 53 N 4.98 0.29 -0.11 1.11 0.24 -1.26 -4.65 118.33 118.93 2k8m n VAL 53 Ca 0.03 -0.64 -0.23 0.00 -2.04 0.00 0.00 64.34 61.46 2k8m n VAL 53 Cb 0.48 1.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 2k8m n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8m n GLY 54 N 0.64 -0.35 2.55 7.63 0.00 -1.26 -4.69 105.19 109.71 2k8m n GLY 54 Ca 0.08 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2k8m n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k8m n SER 55 N -3.96 7.75 0.08 1.61 7.64 -1.26 -4.63 113.62 120.85 2k8m n SER 55 Ca -0.42 -3.37 -0.01 0.00 1.01 0.00 0.00 58.87 56.08 2k8m n SER 55 Cb 0.79 -1.28 0.26 0.00 -1.01 0.00 0.00 64.21 62.97 2k8m n SER 55 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k8m h LEU 56 N 4.97 0.30 -1.44 -3.43 -0.00 -1.83 -2.56 115.31 111.32 2k8m h LEU 56 Ca 0.63 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 58.38 2k8m h LEU 56 Cb 0.31 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2k8m h LEU 56 CO 1.35 0.60 0.06 -2.24 -0.00 0.00 0.00 178.44 178.21 2k8m h ASP 57 N 0.26 0.39 -0.11 -0.43 2.03 -1.99 -0.33 116.42 116.24 2k8m h ASP 57 Ca 0.04 -0.05 -0.06 0.00 -0.73 0.00 0.00 57.03 56.23 2k8m h ASP 57 Cb 0.67 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 2k8m h ASP 57 CO 0.05 0.41 -0.10 -0.08 -1.03 0.00 0.00 179.24 178.49 2k8m h GLU 58 N 0.43 0.44 0.01 4.15 4.81 -1.83 0.44 114.58 123.02 2k8m h GLU 58 Ca 0.10 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 2k8m h GLU 58 Cb 0.19 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.52 2k8m h GLU 58 CO -0.00 0.54 -0.33 0.87 -0.73 0.00 0.00 179.01 179.36 2k8m h LYS 59 N 0.41 0.20 -0.20 1.92 6.56 -1.31 -3.21 116.57 120.94 2k8m h LYS 59 Ca 0.08 -0.23 0.04 0.00 -1.06 0.00 0.00 60.65 59.48 2k8m h LYS 59 Cb 0.43 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.12 2k8m h LYS 59 CO 0.02 0.98 -0.05 1.98 -2.06 0.00 0.00 179.45 180.32 2k8m h MET 60 N -0.47 -0.00 -0.03 3.15 4.05 -0.89 0.84 114.93 121.57 2k8m h MET 60 Ca -0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2k8m h MET 60 Cb 1.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 2k8m h MET 60 CO 0.06 -0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.83 2k8m n LYS 61 N -5.20 0.82 -0.00 0.39 5.02 0.13 -1.10 118.16 118.21 2k8m n LYS 61 Ca -0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.26 2k8m n LYS 61 Cb 0.13 -1.02 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 2k8m n LYS 61 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2k8m n SER 62 N -0.48 4.32 0.09 4.39 7.64 -0.49 -4.74 113.62 124.35 2k8m n SER 62 Ca 0.00 -0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2k8m n SER 62 Cb 0.01 0.23 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 2k8m n SER 62 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k8m h LEU 63 N 0.00 0.62 -8.57 -3.43 3.38 -0.76 -3.42 115.31 103.11 2k8m h LEU 63 Ca -0.02 -0.83 -0.63 0.00 0.09 0.00 0.00 57.88 56.50 2k8m h LEU 63 Cb 1.04 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 2k8m h LEU 63 CO -0.00 1.68 0.41 -0.62 0.09 0.00 0.00 178.44 180.00 2k8m s ASP 64 N -7.29 6.38 0.00 -0.43 2.15 -0.26 -4.84 116.67 112.39 2k8m s ASP 64 Ca -0.12 -0.23 0.24 0.00 0.43 0.00 0.00 52.55 52.86 2k8m s ASP 64 Cb 0.05 -2.40 0.53 0.00 -0.30 0.00 0.00 42.92 40.81 2k8m s ASP 64 CO 0.88 -1.01 1.45 1.33 -0.17 0.00 0.00 175.17 177.64 2k8m n VAL 65 N 6.14 0.23 -0.09 1.11 0.24 -1.26 -4.04 118.33 120.66 2k8m n VAL 65 Ca 0.02 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 2k8m n VAL 65 Cb 0.48 0.91 -0.12 0.00 -1.47 0.00 0.00 33.84 33.64 2k8m n VAL 65 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2k8m n ASN 66 N 1.00 1.46 -2.73 -1.34 0.23 -1.26 -5.05 115.26 107.56 2k8m n ASN 66 Ca 0.17 -0.03 -0.11 0.00 -0.53 0.00 0.00 54.58 54.08 2k8m n ASN 66 Cb 0.50 0.52 0.05 0.00 -2.08 0.00 0.00 39.78 38.78 2k8m n ASN 66 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2k8m n GLN 67 N -2.75 -2.53 -0.04 -3.83 7.27 -1.26 -4.96 117.38 109.28 2k8m n GLN 67 Ca -0.29 0.61 0.02 0.00 0.07 0.00 0.00 57.00 57.41 2k8m n GLN 67 Cb 0.98 -4.67 0.04 0.00 2.41 0.00 0.00 30.24 29.00 2k8m n GLN 67 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2k8m n ASP 68 N -2.66 1.89 -0.34 1.69 5.75 -1.26 -4.97 116.55 116.65 2k8m n ASP 68 Ca -0.10 -1.63 -0.04 0.00 -0.01 0.00 0.00 54.79 53.01 2k8m n ASP 68 Cb 0.60 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.62 2k8m n ASP 68 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2k8m n SER 69 N 0.02 -4.48 -4.00 -1.12 7.64 -1.26 -4.97 113.62 105.44 2k8m n SER 69 Ca 0.03 0.11 -0.31 0.00 1.01 0.00 0.00 58.87 59.71 2k8m n SER 69 Cb 0.22 -2.37 -0.15 0.00 -1.01 0.00 0.00 64.21 60.90 2k8m n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k8m s GLU 70 N -1.81 1.71 -1.01 1.43 2.02 -1.26 -3.98 118.70 115.80 2k8m s GLU 70 Ca 0.00 -1.50 -0.23 0.00 0.02 0.00 0.00 54.97 53.26 2k8m s GLU 70 Cb 0.00 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.33 2k8m s GLU 70 CO 0.00 -0.76 1.68 -0.51 0.02 0.00 0.00 175.26 175.69 2k8m s LEU 71 N 1.10 3.38 1.09 1.80 2.01 0.58 -4.81 118.68 123.84 2k8m s LEU 71 Ca 0.01 -1.28 -0.13 0.00 0.01 0.00 0.00 54.13 52.75 2k8m s LEU 71 Cb -0.19 -2.57 0.24 0.00 0.01 0.00 0.00 46.19 43.68 2k8m s LEU 71 CO -0.08 -2.02 1.06 -0.54 1.01 0.00 0.00 176.35 175.78 2k8m s LYS 72 N 5.73 -0.35 0.27 1.70 3.01 -1.26 -0.07 119.74 128.77 2k8m s LYS 72 Ca 0.57 0.75 -0.01 0.00 -1.01 0.00 0.00 55.97 56.27 2k8m s LYS 72 Cb -0.02 -1.63 0.59 0.00 -1.01 0.00 0.00 37.83 35.76 2k8m s LYS 72 CO -0.04 -3.32 1.69 0.35 0.51 0.00 0.00 175.35 174.55 2k8m h PHE 73 N -2.33 0.47 -0.19 3.18 3.57 -1.92 0.52 116.94 120.24 2k8m h PHE 73 Ca -0.58 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 60.94 2k8m h PHE 73 Cb 1.33 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2k8m h PHE 73 CO 0.29 -0.06 0.04 -0.97 -2.23 0.00 0.00 178.31 175.38 2k8m h ASN 74 N 0.34 0.30 -0.09 0.41 -1.24 -1.92 -1.02 115.58 112.36 2k8m h ASN 74 Ca 0.49 -0.24 -0.09 0.00 0.71 0.00 0.00 56.30 57.16 2k8m h ASN 74 Cb 0.87 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 2k8m h ASN 74 CO -0.52 0.46 -0.22 -0.33 -1.29 0.00 0.00 177.43 175.53 2k8m h GLU 75 N 0.12 0.51 -0.50 6.67 3.07 -1.48 -2.80 114.58 120.16 2k8m h GLU 75 Ca 0.06 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.36 58.61 2k8m h GLU 75 Cb 0.28 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2k8m h GLU 75 CO 0.00 0.70 -0.17 -0.92 -1.40 0.00 0.00 179.01 177.22 2k8m h TYR 76 N 0.45 1.12 0.00 4.33 3.20 0.12 -2.60 116.97 123.60 2k8m h TYR 76 Ca 0.07 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 2k8m h TYR 76 Cb 0.64 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2k8m h TYR 76 CO 0.02 1.07 -0.07 2.35 -1.64 0.00 0.00 178.16 179.89 2k8m h TRP 77 N 0.87 0.00 -0.07 -3.82 2.91 -0.93 -1.66 115.95 113.25 2k8m h TRP 77 Ca 0.12 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 2k8m h TRP 77 Cb 0.74 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 2k8m h TRP 77 CO 0.05 0.07 -0.13 0.00 -1.03 0.00 0.00 178.44 177.40 2k8m h ARG 78 N 0.00 0.10 -0.38 2.65 3.08 -1.23 -2.11 114.38 116.49 2k8m h ARG 78 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2k8m h ARG 78 Cb 0.31 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2k8m h ARG 78 CO 0.01 0.24 0.15 1.25 -1.07 0.00 0.00 179.97 180.55 2k8m h LEU 79 N 0.10 0.52 -1.65 3.04 5.85 -1.38 -2.20 115.31 119.59 2k8m h LEU 79 Ca 0.02 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2k8m h LEU 79 Cb 0.30 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2k8m h LEU 79 CO 0.02 0.55 -0.05 0.40 -0.34 0.00 0.00 178.44 179.01 2k8m h ILE 80 N 0.47 1.11 -0.41 4.05 2.04 -1.48 -0.85 117.51 122.44 2k8m h ILE 80 Ca 0.13 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2k8m h ILE 80 Cb 0.18 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2k8m h ILE 80 CO -0.01 0.14 0.22 1.23 0.00 0.00 0.00 178.15 179.73 2k8m h GLY 81 N 0.47 0.61 2.00 5.37 0.00 -0.90 -0.36 103.07 110.26 2k8m h GLY 81 Ca 0.04 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 2k8m h GLY 81 CO 0.01 0.27 -0.64 0.83 0.00 0.00 0.00 176.54 177.01 2k8m h GLU 82 N 0.53 0.00 -0.41 4.80 4.39 -1.17 -3.10 114.58 119.62 2k8m h GLU 82 Ca 0.14 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 2k8m h GLU 82 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2k8m h GLU 82 CO -0.02 0.64 0.02 -0.07 -1.16 0.00 0.00 179.01 178.42 2k8m h LEU 83 N 0.00 0.69 -1.92 1.33 3.38 -0.72 0.12 115.31 118.19 2k8m h LEU 83 Ca -0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2k8m h LEU 83 Cb 1.26 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2k8m h LEU 83 CO 0.08 0.81 -0.06 0.00 0.09 0.00 0.00 178.44 179.36 2k8m h ALA 84 N 0.90 1.09 0.06 1.53 0.00 -1.07 -2.02 119.26 119.75 2k8m h ALA 84 Ca 0.12 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 2k8m h ALA 84 Cb 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2k8m h ALA 84 CO 0.02 0.08 -1.58 -0.22 0.00 0.00 0.00 179.25 177.54 2k8m h LYS 85 N 0.00 0.12 0.00 0.00 3.64 -1.35 -3.32 116.57 115.66 2k8m h LYS 85 Ca -0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2k8m h LYS 85 Cb 0.36 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2k8m h LYS 85 CO 0.01 0.88 0.00 0.39 -2.27 0.00 0.00 179.45 178.45 2k8m n GLU 86 N -3.29 0.02 0.09 1.90 -0.58 0.38 -0.10 120.64 119.06 2k8m n GLU 86 Ca -0.16 0.18 0.12 0.00 -0.42 0.00 0.00 57.16 56.87 2k8m n GLU 86 Cb 1.03 -1.53 0.11 0.00 -0.57 0.00 0.00 31.44 30.48 2k8m n GLU 86 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2k8m h ILE 87 N 0.00 0.00 0.00 -3.67 2.10 -1.56 -3.30 117.51 111.09 2k8m h ILE 87 Ca 0.00 -0.72 0.00 0.00 1.08 0.00 0.00 64.86 65.22 2k8m h ILE 87 Cb 0.35 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 2k8m h ILE 87 CO 0.00 0.00 -0.44 -1.14 -1.08 0.00 0.00 178.15 175.49 2k8m n ARG 88 N -2.40 0.00 0.07 2.19 0.63 -1.05 -4.79 116.66 111.31 2k8m n ARG 88 Ca 0.02 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.83 2k8m n ARG 88 Cb 0.49 -0.46 -0.08 0.00 0.45 0.00 0.00 32.46 32.86 2k8m n ARG 88 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2k8m h LYS 89 N 0.00 -0.22 0.00 -0.14 3.11 -0.76 -3.46 116.57 115.10 2k8m h LYS 89 Ca 0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2k8m h LYS 89 Cb 0.44 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 2k8m h LYS 89 CO 0.00 0.19 0.00 1.17 -2.81 0.00 0.00 179.45 178.00 2k8m n LYS 90 N -4.98 0.00 -2.66 1.90 4.81 -1.00 -0.79 118.16 115.44 2k8m n LYS 90 Ca -0.08 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.24 2k8m n LYS 90 Cb 0.26 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.34 2k8m n LYS 90 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k8m n LYS 91 N 0.00 1.37 -1.60 1.64 4.01 -1.22 -4.93 118.16 117.43 2k8m n LYS 91 Ca 0.00 -3.38 -0.14 0.00 -0.51 0.00 0.00 58.31 54.28 2k8m n LYS 91 Cb 0.00 -1.35 -0.08 0.00 -0.51 0.00 0.00 35.03 33.08 2k8m n LYS 91 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2k8m s ASP 92 N -3.15 3.75 0.00 4.39 2.15 0.03 -1.80 116.67 122.03 2k8m s ASP 92 Ca 0.29 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.95 2k8m s ASP 92 Cb 0.45 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 2k8m s ASP 92 CO 0.01 -4.17 0.00 -0.11 -0.17 0.00 0.00 175.17 170.73 2k8m n LEU 93 N 18.96 0.00 0.11 -1.34 7.94 -1.26 -5.01 117.00 136.40 2k8m n LEU 93 Ca 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 2k8m n LEU 93 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2k8m n LEU 93 CO 0.56 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 177.13 2k8m n LYS 94 N -0.13 0.00 -5.09 1.96 4.76 -0.75 -5.11 118.16 113.80 2k8m n LYS 94 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2k8m n LYS 94 Cb 0.00 -0.12 -0.16 0.00 -1.84 0.00 0.00 35.03 32.91 2k8m n LYS 94 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2k8m s ILE 95 N -1.88 1.78 0.06 -0.18 1.01 -1.12 -5.04 121.20 115.82 2k8m s ILE 95 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 2k8m s ILE 95 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.96 2k8m s ILE 95 CO 0.00 0.50 -0.04 0.54 0.00 0.00 0.00 174.94 175.94 2k8m n ARG 96 N 2.88 0.06 0.00 2.79 1.74 -1.26 -3.41 116.66 119.45 2k8m n ARG 96 Ca -0.17 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2k8m n ARG 96 Cb 0.52 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 2k8m n ARG 96 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k8m n LYS 97 N -3.51 0.00 -0.56 5.56 4.76 -1.26 -4.82 118.16 118.33 2k8m n LYS 97 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2k8m n LYS 97 Cb 0.06 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 2k8m n LYS 97 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66