#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4k s VAL 2 N 0.00 4.15 0.17 3.15 -7.23 -1.26 -1.31 120.40 118.07 2d4k s VAL 2 Ca 0.00 -0.27 -0.09 0.00 -1.81 0.00 0.00 61.98 59.81 2d4k s VAL 2 Cb 0.00 -2.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 2d4k s VAL 2 CO 0.00 0.51 0.47 -0.36 -0.31 0.00 0.00 175.10 175.42 2d4k s PHE 3 N 0.08 3.49 0.68 2.82 0.40 -0.58 -5.02 117.98 119.84 2d4k s PHE 3 Ca 0.01 0.79 -0.11 0.00 -0.60 0.00 0.00 56.93 57.02 2d4k s PHE 3 Cb -0.13 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.23 2d4k s PHE 3 CO 0.02 0.38 1.07 0.20 0.70 0.00 0.00 175.22 177.58 2d4k s GLY 4 N -2.21 1.63 0.06 4.36 0.00 -1.26 -4.85 107.32 105.06 2d4k s GLY 4 Ca 0.42 -0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.52 2d4k s GLY 4 CO 0.21 -0.01 1.60 -0.09 0.00 0.00 0.00 173.10 174.81 2d4k h ARG 5 N -0.56 -0.30 -0.08 2.90 2.43 -1.99 0.41 114.38 117.18 2d4k h ARG 5 Ca -0.45 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.61 2d4k h ARG 5 Cb 1.25 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2d4k h ARG 5 CO 0.63 -0.14 -0.52 0.00 -1.51 0.00 0.00 179.97 178.43 2d4k h GLU 7 N 0.18 0.95 -0.25 0.00 4.81 -1.89 -1.33 114.58 117.06 2d4k h GLU 7 Ca 0.00 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 2d4k h GLU 7 Cb 0.99 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2d4k h GLU 7 CO 0.08 0.64 -0.23 1.25 -0.73 0.00 0.00 179.01 180.02 2d4k h LEU 8 N 0.98 0.64 -0.59 1.64 5.85 -0.76 -2.08 115.31 120.98 2d4k h LEU 8 Ca 0.26 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 58.62 2d4k h LEU 8 Cb -0.10 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.67 2d4k h LEU 8 CO -0.06 0.97 0.17 0.00 -0.34 0.00 0.00 178.44 179.19 2d4k h ALA 9 N 0.68 0.73 -0.45 1.25 0.00 -0.96 0.14 119.26 120.65 2d4k h ALA 9 Ca 0.04 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2d4k h ALA 9 Cb 0.79 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2d4k h ALA 9 CO 0.06 -0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.35 2d4k h ALA 10 N 1.44 0.57 -0.62 0.00 0.00 -1.19 0.34 119.26 119.80 2d4k h ALA 10 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2d4k h ALA 10 Cb 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2d4k h ALA 10 CO -0.35 0.01 0.18 0.00 0.00 0.00 0.00 179.25 179.10 2d4k h ALA 11 N 1.17 0.81 -0.21 0.00 0.00 -0.62 -0.60 119.26 119.81 2d4k h ALA 11 Ca 0.17 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2d4k h ALA 11 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2d4k h ALA 11 CO -0.04 0.49 -0.43 0.52 0.00 0.00 0.00 179.25 179.79 2d4k h MET 12 N 0.89 0.51 -0.18 0.00 2.86 -0.42 -2.11 114.93 116.48 2d4k h MET 12 Ca 0.20 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2d4k h MET 12 Cb 0.31 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2d4k h MET 12 CO -0.00 0.85 0.02 -0.22 1.06 0.00 0.00 176.91 178.61 2d4k h LYS 13 N 0.42 0.08 0.00 1.72 3.64 -0.68 -1.99 116.57 119.76 2d4k h LYS 13 Ca 0.03 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2d4k h LYS 13 Cb 0.92 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2d4k h LYS 13 CO 0.08 0.05 -0.12 0.00 -2.27 0.00 0.00 179.45 177.19 2d4k h ARG 14 N 0.08 0.00 -0.21 1.90 3.08 -0.61 -0.87 114.38 117.75 2d4k h ARG 14 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2d4k h ARG 14 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2d4k h ARG 14 CO -0.12 0.12 0.00 0.72 -1.07 0.00 0.00 179.97 179.62 2d4k n HIS 15 N -3.40 0.28 -2.18 3.04 8.25 -0.84 -4.94 115.22 115.42 2d4k n HIS 15 Ca -0.01 -0.14 -0.09 0.00 -0.26 0.00 0.00 57.72 57.23 2d4k n HIS 15 Cb 0.30 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 2d4k n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2d4k n GLY 16 N 0.88 0.01 0.09 -1.41 0.00 -0.33 -4.96 105.19 99.47 2d4k n GLY 16 Ca 0.09 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.72 2d4k n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d4k h LEU 17 N -0.02 0.00 -9.26 0.99 3.38 -1.55 -3.40 115.31 105.44 2d4k h LEU 17 Ca -0.21 -0.09 -0.55 0.00 0.09 0.00 0.00 57.88 57.13 2d4k h LEU 17 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2d4k h LEU 17 CO 0.25 0.04 1.13 -0.62 0.09 0.00 0.00 178.44 179.33 2d4k s ASP 18 N -4.50 6.57 -0.62 -0.43 2.15 -1.26 -1.78 116.67 116.79 2d4k s ASP 18 Ca 0.09 2.27 0.00 0.00 0.43 0.00 0.00 52.55 55.34 2d4k s ASP 18 Cb 0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2d4k s ASP 18 CO 0.65 -1.00 0.00 0.59 -0.17 0.00 0.00 175.17 175.24 2d4k n ASN 19 N 7.43 -3.97 -4.64 -0.34 3.02 0.25 -4.88 115.26 112.14 2d4k n ASN 19 Ca 0.18 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 2d4k n ASN 19 Cb 0.43 -1.98 -0.03 0.00 -0.61 0.00 0.00 39.78 37.58 2d4k n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2d4k s TYR 20 N -2.13 1.57 -1.51 3.10 6.14 -0.73 -1.78 117.35 122.01 2d4k s TYR 20 Ca 0.00 0.15 0.00 0.00 0.64 0.00 0.00 57.07 57.86 2d4k s TYR 20 Cb 0.00 -4.05 0.00 0.00 0.42 0.00 0.00 41.96 38.33 2d4k s TYR 20 CO 0.00 -4.26 0.00 0.54 0.64 0.00 0.00 175.55 172.47 2d4k n ARG 21 N 7.82 -1.82 -0.33 4.97 5.12 -1.26 -2.15 116.66 128.99 2d4k n ARG 21 Ca 0.22 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.99 2d4k n ARG 21 Cb 0.43 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.31 2d4k n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d4k n GLY 22 N -0.79 0.78 3.34 -0.13 0.00 -0.73 -5.05 105.19 102.59 2d4k n GLY 22 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2d4k n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d4k s TYR 23 N -2.23 3.22 0.84 1.61 2.02 -0.92 -4.89 117.35 117.00 2d4k s TYR 23 Ca 0.00 -1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 55.48 2d4k s TYR 23 Cb 0.00 -2.34 0.10 0.00 -0.40 0.00 0.00 41.96 39.33 2d4k s TYR 23 CO 0.00 -0.65 1.16 -1.54 -1.57 0.00 0.00 175.55 172.96 2d4k s SER 24 N 1.49 3.45 0.21 2.29 1.04 -1.26 -0.58 113.70 120.34 2d4k s SER 24 Ca 0.01 2.22 -0.10 0.00 0.48 0.00 0.00 55.95 58.56 2d4k s SER 24 Cb -0.19 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.65 2d4k s SER 24 CO 0.04 -2.76 1.70 0.25 0.98 0.00 0.00 173.24 173.46 2d4k h LEU 25 N -1.31 -0.04 -1.39 2.42 5.85 -1.90 -1.34 115.31 117.61 2d4k h LEU 25 Ca -0.45 0.12 0.24 0.00 0.84 0.00 0.00 57.88 58.63 2d4k h LEU 25 Cb 1.28 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.39 2d4k h LEU 25 CO 0.45 -0.01 0.65 1.23 -0.34 0.00 0.00 178.44 180.42 2d4k h GLY 26 N 0.24 1.12 0.49 3.75 0.00 -1.92 -1.23 103.07 105.52 2d4k h GLY 26 Ca 0.31 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.50 2d4k h GLY 26 CO -0.42 -0.08 0.08 3.43 0.00 0.00 0.00 176.54 179.55 2d4k h ASN 27 N 0.42 0.00 -0.40 0.19 2.35 -1.49 -0.89 115.58 115.77 2d4k h ASN 27 Ca 0.55 0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 56.22 2d4k h ASN 27 Cb 1.36 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 2d4k h ASN 27 CO -0.26 0.04 -0.37 -0.50 -1.65 0.00 0.00 177.43 174.69 2d4k h TRP 28 N 0.21 1.14 -0.41 1.19 4.06 -1.34 -0.88 115.95 119.91 2d4k h TRP 28 Ca 0.20 -0.33 -0.06 0.00 2.06 0.00 0.00 58.89 60.76 2d4k h TRP 28 Cb 0.24 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 2d4k h TRP 28 CO -0.21 1.17 0.03 0.28 -3.56 0.00 0.00 178.44 176.15 2d4k h VAL 29 N 0.78 1.25 -0.56 1.49 2.07 -1.37 -1.91 116.25 118.01 2d4k h VAL 29 Ca 0.07 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2d4k h VAL 29 Cb 0.96 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2d4k h VAL 29 CO 0.09 0.32 0.35 0.00 0.02 0.00 0.00 177.57 178.36 2d4k h ALA 31 N 1.23 0.32 -0.68 0.00 0.00 -0.99 -2.29 119.26 116.85 2d4k h ALA 31 Ca 0.22 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2d4k h ALA 31 Cb -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2d4k h ALA 31 CO -0.08 -0.29 0.25 0.00 0.00 0.00 0.00 179.25 179.12 2d4k h ALA 32 N 1.17 1.15 -0.08 0.00 0.00 -1.11 0.34 119.26 120.73 2d4k h ALA 32 Ca 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2d4k h ALA 32 Cb 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2d4k h ALA 32 CO -0.11 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.51 2d4k h LYS 33 N 1.00 0.02 0.00 0.00 1.63 -0.72 -1.67 116.57 116.82 2d4k h LYS 33 Ca 0.23 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.96 2d4k h LYS 33 Cb 0.23 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2d4k h LYS 33 CO -0.02 0.01 -0.67 0.74 -3.45 0.00 0.00 179.45 176.07 2d4k h PHE 34 N 0.02 0.00 0.04 1.91 -1.00 -1.25 -0.62 116.94 116.04 2d4k h PHE 34 Ca 0.03 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.71 2d4k h PHE 34 Cb 0.05 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.61 2d4k h PHE 34 CO -0.12 0.26 -0.42 0.93 -1.61 0.00 0.00 178.31 177.35 2d4k h GLU 35 N 0.00 0.22 0.00 1.51 4.39 -0.89 -3.42 114.58 116.39 2d4k h GLU 35 Ca -0.03 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2d4k h GLU 35 Cb 1.23 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2d4k h GLU 35 CO 0.03 1.05 0.00 -1.13 -1.16 0.00 0.00 179.01 177.80 2d4k n SER 36 N -4.37 0.53 -4.03 1.42 3.41 -0.66 -4.89 113.62 105.04 2d4k n SER 36 Ca -0.11 -1.14 -0.30 0.00 -0.26 0.00 0.00 58.87 57.06 2d4k n SER 36 Cb 0.61 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 2d4k n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2d4k n ASN 37 N -0.07 -2.37 -1.84 4.04 5.15 -0.24 -2.39 115.26 117.54 2d4k n ASN 37 Ca 0.00 -0.95 -0.17 0.00 -0.60 0.00 0.00 54.58 52.86 2d4k n ASN 37 Cb 0.24 -3.17 -0.02 0.00 -0.53 0.00 0.00 39.78 36.31 2d4k n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2d4k n PHE 38 N -4.44 -0.66 -3.79 1.20 3.72 -1.20 -4.85 117.46 107.43 2d4k n PHE 38 Ca -0.10 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.94 2d4k n PHE 38 Cb 0.58 -3.35 -0.13 0.00 -0.94 0.00 0.00 39.48 35.64 2d4k n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2d4k s ASN 39 N -2.34 5.05 0.54 4.37 3.84 -1.01 -1.52 114.94 123.87 2d4k s ASN 39 Ca 0.00 -0.87 0.35 0.00 0.21 0.00 0.00 52.86 52.56 2d4k s ASN 39 Cb 0.00 -1.84 1.69 0.00 -0.55 0.00 0.00 41.25 40.55 2d4k s ASN 39 CO 0.00 -0.22 2.06 0.71 -2.79 0.00 0.00 177.10 176.86 2d4k h THR 40 N 6.01 0.00 -0.19 -5.21 1.35 -1.51 -2.94 112.91 110.41 2d4k h THR 40 Ca -0.29 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2d4k h THR 40 Cb 1.11 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2d4k h THR 40 CO 0.60 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.87 2d4k n GLN 41 N -2.90 2.15 -1.83 4.72 1.13 -1.26 -4.07 117.38 115.31 2d4k n GLN 41 Ca -0.01 -1.70 -0.41 0.00 -1.94 0.00 0.00 57.00 52.94 2d4k n GLN 41 Cb 0.19 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.06 2d4k n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d4k s ALA 42 N -1.76 3.61 0.03 -1.58 0.00 -1.11 -4.79 121.76 116.15 2d4k s ALA 42 Ca 0.34 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.86 2d4k s ALA 42 Cb 0.20 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2d4k s ALA 42 CO 0.30 -0.99 -0.08 0.95 0.00 0.00 0.00 175.76 175.95 2d4k s THR 43 N -0.79 0.56 -0.07 0.00 -4.23 -1.26 -0.90 115.64 108.94 2d4k s THR 43 Ca 0.55 -0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 60.22 2d4k s THR 43 Cb -0.46 -0.57 0.03 0.00 1.34 0.00 0.00 72.50 72.84 2d4k s THR 43 CO 0.58 -0.20 0.04 0.21 -0.54 0.00 0.00 174.62 174.71 2d4k s ASN 44 N -1.11 1.54 -0.29 3.99 2.47 -0.72 -4.97 114.94 115.84 2d4k s ASN 44 Ca -0.05 -0.11 -0.17 0.00 0.42 0.00 0.00 52.86 52.95 2d4k s ASN 44 Cb -0.07 -0.29 -0.02 0.00 -1.45 0.00 0.00 41.25 39.41 2d4k s ASN 44 CO 0.00 -0.24 0.45 -0.13 -3.72 0.00 0.00 177.10 173.46 2d4k s ARG 45 N 2.07 3.92 0.42 0.43 0.52 -1.26 -1.00 118.95 124.04 2d4k s ARG 45 Ca 0.04 0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.32 2d4k s ARG 45 Cb -0.13 -3.70 -0.01 0.00 0.52 0.00 0.00 34.95 31.63 2d4k s ARG 45 CO -0.05 -0.40 0.63 -0.80 0.02 0.00 0.00 175.30 174.70 2d4k s ASN 46 N 1.64 5.97 0.55 0.23 0.01 -0.21 -5.01 114.94 118.12 2d4k s ASN 46 Ca 0.18 0.32 0.32 0.00 -0.71 0.00 0.00 52.86 52.96 2d4k s ASN 46 Cb -0.16 -1.66 1.55 0.00 0.41 0.00 0.00 41.25 41.40 2d4k s ASN 46 CO 0.11 -0.58 2.08 0.71 -1.51 0.00 0.00 177.10 177.91 2d4k h THR 47 N 0.51 0.33 -0.16 1.60 1.35 -1.98 -2.31 112.91 112.25 2d4k h THR 47 Ca -0.47 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 2d4k h THR 47 Cb 1.24 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2d4k h THR 47 CO 0.58 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.03 2d4k n ASP 48 N -3.39 1.02 0.00 5.36 3.85 -1.26 -4.87 116.55 117.27 2d4k n ASP 48 Ca -0.01 -1.86 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 2d4k n ASP 48 Cb 0.24 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 2d4k n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2d4k n GLY 49 N 0.87 1.07 3.94 6.12 0.00 -0.87 -4.62 105.19 111.70 2d4k n GLY 49 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2d4k n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d4k s SER 50 N -2.97 5.81 0.02 1.61 1.04 -1.26 -4.40 113.70 113.55 2d4k s SER 50 Ca 0.00 0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.93 2d4k s SER 50 Cb 0.00 -1.65 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 2d4k s SER 50 CO 0.00 -0.78 -0.13 -0.89 0.98 0.00 0.00 173.24 172.42 2d4k s THR 51 N -2.69 1.00 -0.19 2.02 2.01 -1.26 -1.05 115.64 115.48 2d4k s THR 51 Ca 0.50 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 2d4k s THR 51 Cb -0.10 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 2d4k s THR 51 CO 0.40 0.12 0.21 -1.81 -0.69 0.00 0.00 174.62 172.85 2d4k s ASP 52 N -0.73 6.28 -0.05 3.53 -0.00 -0.17 -1.21 116.67 124.32 2d4k s ASP 52 Ca 0.03 0.32 0.06 0.00 -0.00 0.00 0.00 52.55 52.95 2d4k s ASP 52 Cb -0.06 -2.13 -0.01 0.00 -0.00 0.00 0.00 42.92 40.71 2d4k s ASP 52 CO 0.00 0.11 -0.24 -0.31 -0.00 0.00 0.00 175.17 174.74 2d4k s TYR 53 N 0.60 2.32 0.00 4.23 1.51 0.15 -1.76 117.35 124.39 2d4k s TYR 53 Ca 0.11 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 2d4k s TYR 53 Cb -0.12 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 2d4k s TYR 53 CO 0.02 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.67 2d4k n GLY 54 N 2.92 -1.97 0.29 0.71 0.00 -0.07 -1.80 105.19 105.26 2d4k n GLY 54 Ca -0.17 -1.40 0.16 0.00 0.00 0.00 0.00 46.02 44.61 2d4k n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2d4k h ILE 55 N 0.00 0.36 -0.19 -0.61 2.10 -1.70 -1.70 117.51 115.77 2d4k h ILE 55 Ca 0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2d4k h ILE 55 Cb 0.00 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2d4k h ILE 55 CO 0.00 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 177.31 2d4k n LEU 56 N -3.46 2.94 -3.86 2.19 4.77 -1.26 -4.19 117.00 114.13 2d4k n LEU 56 Ca -0.02 -2.50 -0.32 0.00 -0.03 0.00 0.00 56.01 53.14 2d4k n LEU 56 Cb 0.20 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2d4k n LEU 56 CO 0.27 0.66 -0.16 0.00 -1.33 0.00 0.00 177.39 176.84 2d4k n GLN 57 N -0.33 -1.66 -2.73 3.23 1.13 -0.64 -4.90 117.38 111.47 2d4k n GLN 57 Ca 0.13 0.36 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 2d4k n GLN 57 Cb 0.57 -3.94 -0.04 0.00 0.11 0.00 0.00 30.24 26.94 2d4k n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2d4k s ILE 58 N -3.67 4.51 0.06 5.09 1.01 -0.75 -4.44 121.20 123.03 2d4k s ILE 58 Ca 0.32 2.07 -0.19 0.00 0.00 0.00 0.00 60.65 62.85 2d4k s ILE 58 Cb -0.13 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2d4k s ILE 58 CO 0.90 0.31 0.55 0.21 0.00 0.00 0.00 174.94 176.91 2d4k s ASN 59 N 0.02 7.03 0.08 3.58 3.84 -1.26 -0.67 114.94 127.56 2d4k s ASN 59 Ca 0.47 1.22 0.24 0.00 0.21 0.00 0.00 52.86 55.01 2d4k s ASN 59 Cb -0.23 -2.35 0.97 0.00 -0.55 0.00 0.00 41.25 39.09 2d4k s ASN 59 CO 0.30 0.28 1.77 -1.54 -2.79 0.00 0.00 177.10 175.11 2d4k n SER 60 N 1.74 0.27 -0.07 -4.21 3.41 -0.35 -2.44 113.62 111.97 2d4k n SER 60 Ca -0.11 0.54 -0.07 0.00 -0.26 0.00 0.00 58.87 58.97 2d4k n SER 60 Cb 0.51 -0.61 0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2d4k n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2d4k h ARG 61 N 0.00 0.73 0.00 4.33 2.43 -1.84 -3.38 114.38 116.65 2d4k h ARG 61 Ca 0.00 -0.29 -0.17 0.00 -0.81 0.00 0.00 59.98 58.71 2d4k h ARG 61 Cb 0.48 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2d4k h ARG 61 CO 0.00 0.89 -1.65 0.91 -1.51 0.00 0.00 179.97 178.62 2d4k n TRP 62 N -4.11 0.00 -0.02 2.20 7.02 -1.23 -1.03 117.44 120.27 2d4k n TRP 62 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 2d4k n TRP 62 Cb 0.43 -0.46 -0.08 0.00 -2.42 0.00 0.00 31.31 28.78 2d4k n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2d4k n TRP 63 N -2.41 0.00 -4.03 -5.99 7.02 -1.02 -1.24 117.44 109.76 2d4k n TRP 63 Ca -0.16 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.23 2d4k n TRP 63 Cb 0.79 -0.32 -0.09 0.00 -2.42 0.00 0.00 31.31 29.27 2d4k n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2d4k s ASN 65 N -2.96 5.22 0.00 0.00 2.47 -0.58 -4.67 114.94 114.43 2d4k s ASN 65 Ca 0.14 -0.11 0.03 0.00 0.42 0.00 0.00 52.86 53.33 2d4k s ASN 65 Cb 0.06 -1.91 0.03 0.00 -1.45 0.00 0.00 41.25 37.98 2d4k s ASN 65 CO -0.04 0.06 0.71 -0.90 -3.72 0.00 0.00 177.10 173.21 2d4k n ASP 66 N 4.31 1.49 0.00 -4.21 5.68 -1.26 -0.88 116.55 121.69 2d4k n ASP 66 Ca -0.16 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 2d4k n ASP 66 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 2d4k n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d4k n GLY 67 N 0.04 1.06 0.19 6.12 0.00 -1.26 -4.79 105.19 106.55 2d4k n GLY 67 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 2d4k n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2d4k n ARG 68 N -2.00 0.40 -3.85 1.61 1.85 -1.26 -5.04 116.66 108.37 2d4k n ARG 68 Ca 0.00 -0.96 -0.36 0.00 -1.00 0.00 0.00 57.85 55.53 2d4k n ARG 68 Cb 0.00 -0.63 -0.12 0.00 -1.05 0.00 0.00 32.46 30.66 2d4k n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2d4k s THR 69 N -0.34 4.50 0.36 8.89 2.01 -1.26 -4.87 115.64 124.93 2d4k s THR 69 Ca 0.03 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.63 2d4k s THR 69 Cb 0.02 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.35 2d4k s THR 69 CO 0.00 0.37 1.35 -2.84 -0.69 0.00 0.00 174.62 172.82 2d4k s PRO 70 N 1.23 4.20 -1.40 4.92 0.02 -1.26 -2.99 135.00 139.72 2d4k s PRO 70 Ca 0.05 2.30 -0.06 0.00 0.02 0.00 0.00 61.00 63.30 2d4k s PRO 70 Cb -0.14 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.44 2d4k s PRO 70 CO 0.04 -0.35 0.86 0.41 -0.33 0.00 0.00 177.00 177.63 2d4k n GLY 71 N 0.68 -0.40 3.78 0.52 0.00 -1.26 -4.94 105.19 103.57 2d4k n GLY 71 Ca 0.01 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2d4k n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d4k s SER 72 N -3.85 7.39 0.41 1.61 0.15 -1.16 -4.92 113.70 113.33 2d4k s SER 72 Ca 0.32 1.74 0.07 0.00 0.70 0.00 0.00 55.95 58.78 2d4k s SER 72 Cb -0.16 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.56 2d4k s SER 72 CO 0.81 0.10 0.12 -0.13 1.20 0.00 0.00 173.24 175.35 2d4k s ARG 73 N -1.51 2.14 -0.42 5.44 1.81 -0.19 -5.02 118.95 121.20 2d4k s ARG 73 Ca 0.42 -1.91 0.08 0.00 -1.72 0.00 0.00 55.73 52.59 2d4k s ARG 73 Cb -0.22 -1.88 0.24 0.00 -0.45 0.00 0.00 34.95 32.64 2d4k s ARG 73 CO 0.26 -0.08 0.53 -1.71 -0.68 0.00 0.00 175.30 173.62 2d4k n ASN 74 N -1.15 0.49 0.13 0.23 5.15 -1.22 -3.84 115.26 115.05 2d4k n ASN 74 Ca -0.02 -2.74 0.13 0.00 -0.60 0.00 0.00 54.58 51.34 2d4k n ASN 74 Cb 0.65 -0.64 0.40 0.00 -0.53 0.00 0.00 39.78 39.67 2d4k n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2d4k h LEU 75 N 4.14 0.00 -0.37 1.20 4.07 -1.22 -2.18 115.31 120.94 2d4k h LEU 75 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2d4k h LEU 75 Cb 0.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2d4k h LEU 75 CO 0.49 0.00 -0.33 0.00 -1.08 0.00 0.00 178.44 177.52 2d4k n ASN 77 N -0.86 -2.92 -3.87 0.00 5.15 -0.82 -4.98 115.26 106.96 2d4k n ASN 77 Ca 0.10 -0.58 -0.11 0.00 -0.60 0.00 0.00 54.58 53.40 2d4k n ASN 77 Cb 0.35 -4.91 -0.09 0.00 -0.53 0.00 0.00 39.78 34.59 2d4k n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2d4k s ILE 78 N -3.34 0.10 0.46 -1.44 -4.36 -1.26 -5.09 121.20 106.27 2d4k s ILE 78 Ca 0.12 -0.81 -0.23 0.00 -0.26 0.00 0.00 60.65 59.47 2d4k s ILE 78 Cb -0.05 -0.64 -0.07 0.00 1.25 0.00 0.00 42.46 42.95 2d4k s ILE 78 CO 0.70 -0.44 1.21 -2.16 0.24 0.00 0.00 174.94 174.48 2d4k s PRO 79 N -1.88 3.73 0.43 0.37 0.04 -1.26 -1.52 135.00 134.90 2d4k s PRO 79 Ca -0.11 1.89 0.12 0.00 0.04 0.00 0.00 61.00 62.94 2d4k s PRO 79 Cb -0.05 -2.46 0.93 0.00 0.04 0.00 0.00 34.50 32.96 2d4k s PRO 79 CO -0.01 -0.61 1.98 0.00 0.04 0.00 0.00 177.00 178.41 2d4k h SER 81 N 0.13 0.00 0.27 0.00 4.64 -1.91 -0.49 113.55 116.19 2d4k h SER 81 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2d4k h SER 81 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2d4k h SER 81 CO 0.02 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.91 2d4k h ALA 82 N 1.99 1.28 -0.00 5.18 0.00 -1.65 -1.95 119.26 124.10 2d4k h ALA 82 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2d4k h ALA 82 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2d4k h ALA 82 CO -0.00 0.08 -0.02 1.28 0.00 0.00 0.00 179.25 180.59 2d4k n LEU 83 N -3.56 0.13 -2.04 0.00 4.77 -0.19 -3.75 117.00 112.36 2d4k n LEU 83 Ca -0.02 0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 55.84 2d4k n LEU 83 Cb 0.18 -0.16 0.14 0.00 -2.33 0.00 0.00 43.42 41.24 2d4k n LEU 83 CO 0.28 0.02 1.12 0.18 -1.33 0.00 0.00 177.39 177.66 2d4k n LEU 84 N -1.09 6.38 -4.98 2.23 4.77 -0.73 -4.03 117.00 119.56 2d4k n LEU 84 Ca 0.18 -3.98 -0.21 0.00 -0.03 0.00 0.00 56.01 51.97 2d4k n LEU 84 Cb 0.21 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 2d4k n LEU 84 CO 0.21 1.33 -0.00 -0.94 -1.33 0.00 0.00 177.39 176.67 2d4k s SER 85 N -1.94 6.21 0.50 -1.43 1.04 -1.25 -4.77 113.70 112.07 2d4k s SER 85 Ca 0.57 0.01 0.29 0.00 0.48 0.00 0.00 55.95 57.29 2d4k s SER 85 Cb 0.47 -1.68 0.91 0.00 0.10 0.00 0.00 66.02 65.82 2d4k s SER 85 CO 0.04 -0.19 1.82 0.77 0.98 0.00 0.00 173.24 176.66 2d4k h SER 86 N 1.07 0.00 -3.31 7.02 4.64 -1.94 -3.42 113.55 117.61 2d4k h SER 86 Ca -0.50 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 2d4k h SER 86 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 2d4k h SER 86 CO 0.59 0.00 0.73 -0.62 -0.87 0.00 0.00 176.83 176.66 2d4k s ASP 87 N -5.93 6.89 0.00 4.97 3.68 -1.26 -4.91 116.67 120.11 2d4k s ASP 87 Ca 0.04 1.00 0.24 0.00 2.13 0.00 0.00 52.55 55.96 2d4k s ASP 87 Cb 0.07 -2.51 1.09 0.00 -1.45 0.00 0.00 42.92 40.12 2d4k s ASP 87 CO 0.60 -0.79 1.74 2.30 0.13 0.00 0.00 175.17 179.16 2d4k n ILE 88 N 5.71 0.08 -0.06 4.11 -5.35 -1.26 -4.43 119.36 118.16 2d4k n ILE 88 Ca 0.10 -0.19 -0.07 0.00 -0.27 0.00 0.00 62.75 62.31 2d4k n ILE 88 Cb 0.47 0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.48 2d4k n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2d4k h THR 89 N 1.41 0.52 -0.79 7.28 2.02 -1.95 -0.56 112.91 120.84 2d4k h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2d4k h THR 89 Cb 0.30 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2d4k h THR 89 CO 0.00 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.37 2d4k h ALA 90 N 1.01 1.01 -0.48 6.16 0.00 -1.86 0.50 119.26 125.60 2d4k h ALA 90 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2d4k h ALA 90 Cb 0.36 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2d4k h ALA 90 CO -0.35 0.47 0.27 0.77 0.00 0.00 0.00 179.25 180.41 2d4k h SER 91 N 1.08 0.60 -0.43 0.00 0.02 -1.69 -1.13 113.55 112.00 2d4k h SER 91 Ca 0.28 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2d4k h SER 91 Cb -0.04 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2d4k h SER 91 CO -0.05 0.51 0.04 0.58 -1.14 0.00 0.00 176.83 176.76 2d4k h VAL 92 N 0.64 1.25 -0.59 2.27 2.07 -0.64 0.01 116.25 121.26 2d4k h VAL 92 Ca 0.17 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 2d4k h VAL 92 Cb 0.04 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2d4k h VAL 92 CO -0.03 0.33 0.08 0.78 0.02 0.00 0.00 177.57 178.75 2d4k h ASN 93 N 0.59 0.93 -0.23 0.57 2.35 -0.79 -1.04 115.58 117.96 2d4k h ASN 93 Ca 0.13 -0.21 -0.19 0.00 -0.55 0.00 0.00 56.30 55.48 2d4k h ASN 93 Cb 0.43 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2d4k h ASN 93 CO 0.02 0.94 -0.57 0.00 -1.65 0.00 0.00 177.43 176.16 2d4k h ALA 95 N 0.72 1.60 -0.64 0.00 0.00 -0.62 -0.45 119.26 119.86 2d4k h ALA 95 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2d4k h ALA 95 Cb 1.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2d4k h ALA 95 CO 0.12 0.27 0.24 0.87 0.00 0.00 0.00 179.25 180.76 2d4k h LYS 96 N 0.91 0.94 -0.36 0.00 1.57 -1.14 -0.54 116.57 117.95 2d4k h LYS 96 Ca 0.36 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 2d4k h LYS 96 Cb 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2d4k h LYS 96 CO -0.13 0.78 -0.27 0.87 -0.57 0.00 0.00 179.45 180.13 2d4k h LYS 97 N 0.92 0.81 -0.16 3.15 1.57 -1.09 -3.00 116.57 118.77 2d4k h LYS 97 Ca 0.21 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2d4k h LYS 97 Cb 0.20 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2d4k h LYS 97 CO -0.02 1.03 0.01 0.82 -0.57 0.00 0.00 179.45 180.72 2d4k h ILE 98 N 0.60 1.24 0.00 1.86 2.04 -0.63 -2.96 117.51 119.66 2d4k h ILE 98 Ca 0.07 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 2d4k h ILE 98 Cb 0.84 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 2d4k h ILE 98 CO 0.07 0.24 -0.07 1.62 0.00 0.00 0.00 178.15 180.01 2d4k h VAL 99 N 0.03 0.26 0.00 1.67 3.04 -1.14 -0.85 116.25 119.26 2d4k h VAL 99 Ca 0.05 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2d4k h VAL 99 Cb 0.35 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2d4k h VAL 99 CO 0.01 0.07 -0.18 -1.20 -1.01 0.00 0.00 177.57 175.25 2d4k n SER 100 N -3.30 0.72 -0.04 3.17 7.64 -1.14 -3.66 113.62 117.01 2d4k n SER 100 Ca -0.01 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2d4k n SER 100 Cb 0.26 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2d4k n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2d4k n ASP 101 N -2.15 0.03 0.00 6.43 2.03 -0.32 -4.83 116.55 117.74 2d4k n ASP 101 Ca 0.05 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.58 2d4k n ASP 101 Cb 0.42 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 2d4k n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d4k n GLY 102 N -0.08 1.85 0.33 0.27 0.00 -1.26 -4.88 105.19 101.44 2d4k n GLY 102 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2d4k n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d4k n ASN 103 N 0.00 2.15 0.00 1.61 3.02 -1.26 -5.08 115.26 115.70 2d4k n ASN 103 Ca 0.00 -3.43 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 2d4k n ASN 103 Cb 0.00 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2d4k n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d4k n GLY 104 N -1.28 1.79 0.02 7.41 0.00 -1.24 -1.29 105.19 110.60 2d4k n GLY 104 Ca 0.18 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.97 2d4k n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d4k n MET 105 N 13.14 1.02 0.00 1.61 2.81 -1.26 -3.21 117.12 131.23 2d4k n MET 105 Ca 0.00 -0.04 0.08 0.00 -1.81 0.00 0.00 57.70 55.94 2d4k n MET 105 Cb 0.00 -1.34 0.42 0.00 -0.71 0.00 0.00 33.22 31.59 2d4k n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2d4k n ASN 106 N -0.80 0.00 0.28 7.83 3.02 -0.41 -1.48 115.26 123.70 2d4k n ASN 106 Ca 0.16 0.02 0.19 0.00 -0.03 0.00 0.00 54.58 54.92 2d4k n ASN 106 Cb 0.08 -0.27 0.97 0.00 -0.61 0.00 0.00 39.78 39.96 2d4k n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d4k h ALA 107 N 2.80 1.00 -2.89 5.41 0.00 -1.68 -3.40 119.26 120.50 2d4k h ALA 107 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2d4k h ALA 107 Cb 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.69 2d4k h ALA 107 CO 0.00 0.00 -0.55 -1.58 0.00 0.00 0.00 179.25 177.12 2d4k s TRP 108 N -3.90 3.21 0.21 0.00 0.51 -0.55 -4.99 118.94 113.42 2d4k s TRP 108 Ca -0.03 -0.86 -0.10 0.00 -2.12 0.00 0.00 56.10 52.98 2d4k s TRP 108 Cb 0.11 -2.37 0.16 0.00 -0.81 0.00 0.00 33.47 30.56 2d4k s TRP 108 CO 0.39 -0.58 1.86 0.28 -0.51 0.00 0.00 176.95 178.39 2d4k h VAL 109 N 5.82 1.15 -0.51 4.03 2.07 -1.86 -1.69 116.25 125.26 2d4k h VAL 109 Ca -0.28 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 2d4k h VAL 109 Cb 1.12 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2d4k h VAL 109 CO 0.63 0.17 -0.05 0.00 0.02 0.00 0.00 177.57 178.34 2d4k h ALA 110 N 1.28 0.95 0.04 1.67 0.00 -1.93 -2.02 119.26 119.25 2d4k h ALA 110 Ca 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2d4k h ALA 110 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2d4k h ALA 110 CO -0.08 0.62 -0.02 2.35 0.00 0.00 0.00 179.25 182.12 2d4k h TRP 111 N 0.81 -0.05 0.00 0.00 7.01 -1.73 0.11 115.95 122.09 2d4k h TRP 111 Ca 0.14 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.09 2d4k h TRP 111 Cb 0.56 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 2d4k h TRP 111 CO 0.03 -0.03 -0.23 0.07 -2.79 0.00 0.00 178.44 175.50 2d4k h ARG 112 N -0.06 0.00 0.03 2.65 0.11 -1.07 0.71 114.38 116.75 2d4k h ARG 112 Ca -0.01 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.72 2d4k h ARG 112 Cb 0.05 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.08 2d4k h ARG 112 CO 0.01 0.23 -2.12 0.09 0.10 0.00 0.00 179.97 178.28 2d4k n ASN 113 N -3.91 1.27 -0.00 0.08 4.13 -0.78 -4.40 115.26 111.64 2d4k n ASN 113 Ca -0.02 0.14 0.04 0.00 1.68 0.00 0.00 54.58 56.42 2d4k n ASN 113 Cb 0.31 -0.12 -0.06 0.00 -1.54 0.00 0.00 39.78 38.38 2d4k n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2d4k n ARG 114 N -3.15 0.68 -0.05 3.52 5.12 0.38 -4.79 116.66 118.37 2d4k n ARG 114 Ca -0.31 -0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 55.46 2d4k n ARG 114 Cb 1.06 -1.14 -0.04 0.00 -1.16 0.00 0.00 32.46 31.18 2d4k n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2d4k n LYS 116 N -3.14 1.87 0.00 0.00 4.81 0.07 -1.94 118.16 119.83 2d4k n LYS 116 Ca -0.19 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2d4k n LYS 116 Cb 0.66 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.33 2d4k n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d4k n GLY 117 N 2.97 3.42 4.00 3.14 0.00 -1.26 -4.92 105.19 112.54 2d4k n GLY 117 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 2d4k n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d4k s THR 118 N -2.78 3.08 -0.80 2.61 -4.23 -0.82 -5.02 115.64 107.69 2d4k s THR 118 Ca 0.00 -1.02 -0.26 0.00 -1.18 0.00 0.00 61.69 59.23 2d4k s THR 118 Cb 0.00 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.82 2d4k s THR 118 CO 0.00 -0.02 1.44 -0.62 -0.54 0.00 0.00 174.62 174.89 2d4k s ASP 119 N -4.32 6.06 0.00 3.99 3.68 -1.26 -4.82 116.67 120.00 2d4k s ASP 119 Ca 0.54 -0.60 0.29 0.00 2.13 0.00 0.00 52.55 54.91 2d4k s ASP 119 Cb -0.10 -2.56 1.30 0.00 -1.45 0.00 0.00 42.92 40.11 2d4k s ASP 119 CO 0.32 -1.89 1.94 1.33 0.13 0.00 0.00 175.17 177.00 2d4k n VAL 120 N 6.71 0.00 0.29 1.11 0.24 -1.26 -3.06 118.33 122.36 2d4k n VAL 120 Ca 0.15 -0.01 0.15 0.00 -2.04 0.00 0.00 64.34 62.59 2d4k n VAL 120 Cb 0.50 -0.42 0.89 0.00 -1.47 0.00 0.00 33.84 33.35 2d4k n VAL 120 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2d4k h GLN 121 N 0.05 0.00 -0.13 7.34 4.20 -1.91 -1.57 115.11 123.09 2d4k h GLN 121 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2d4k h GLN 121 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2d4k h GLN 121 CO 0.00 0.01 0.14 0.00 -0.67 0.00 0.00 178.83 178.32 2d4k h ALA 122 N 1.99 1.76 0.00 3.87 0.00 -1.95 -1.45 119.26 123.48 2d4k h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d4k h ALA 122 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2d4k h ALA 122 CO 0.00 -0.21 0.00 0.91 0.00 0.00 0.00 179.25 179.95 2d4k n TRP 123 N -3.87 0.66 -0.78 0.00 7.02 -0.59 -2.11 117.44 117.77 2d4k n TRP 123 Ca 0.00 0.26 0.08 0.00 -1.02 0.00 0.00 57.50 56.82 2d4k n TRP 123 Cb 0.26 -0.92 0.18 0.00 -2.42 0.00 0.00 31.31 28.41 2d4k n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2d4k n ILE 124 N -2.10 1.83 -1.98 -0.99 -5.35 -0.55 -4.78 119.36 105.45 2d4k n ILE 124 Ca 0.02 -1.77 -0.40 0.00 -0.27 0.00 0.00 62.75 60.34 2d4k n ILE 124 Cb 0.22 -0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.06 2d4k n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2d4k s ARG 125 N -2.36 4.01 0.00 6.28 1.70 -0.90 -2.47 118.95 125.22 2d4k s ARG 125 Ca 0.32 2.29 0.00 0.00 -0.47 0.00 0.00 55.73 57.86 2d4k s ARG 125 Cb 0.25 -2.83 0.00 0.00 -0.57 0.00 0.00 34.95 31.80 2d4k s ARG 125 CO 0.07 -0.50 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 2d4k n GLY 126 N 0.64 0.69 0.12 3.88 0.00 -1.26 -4.87 105.19 104.39 2d4k n GLY 126 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 2d4k n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d4k n ARG 128 N -3.69 -5.07 0.00 0.00 5.12 -1.26 -5.06 116.66 106.70 2d4k n ARG 128 Ca -0.02 0.65 0.02 0.00 -1.93 0.00 0.00 57.85 56.58 2d4k n ARG 128 Cb 0.72 -5.26 0.14 0.00 -1.16 0.00 0.00 32.46 26.90 2d4k n ARG 128 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98