#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r n HIS 2 N 0.00 1.42 -1.62 -1.55 1.44 -1.26 -4.82 115.22 108.83 2k2r n HIS 2 Ca 0.00 0.20 -0.50 0.00 -2.01 0.00 0.00 57.72 55.40 2k2r n HIS 2 Cb 0.00 -2.56 -0.05 0.00 0.12 0.00 0.00 29.99 27.49 2k2r n HIS 2 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2k2r n GLU 3 N 8.56 1.50 -2.87 -1.40 1.02 -1.26 -4.88 120.64 121.32 2k2r n GLU 3 Ca 0.43 0.54 -0.42 0.00 -0.02 0.00 0.00 57.16 57.68 2k2r n GLU 3 Cb 0.32 -2.23 -0.04 0.00 -0.02 0.00 0.00 31.44 29.46 2k2r n GLU 3 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2k2r s ARG 4 N 0.91 3.78 0.00 3.49 3.00 -1.26 -4.91 118.95 123.96 2k2r s ARG 4 Ca 0.84 0.44 0.00 0.00 -1.00 0.00 0.00 55.73 56.01 2k2r s ARG 4 Cb -0.87 -3.82 0.00 0.00 0.00 0.00 0.00 34.95 30.27 2k2r s ARG 4 CO 0.45 -0.93 0.00 -3.47 0.00 0.00 0.00 175.30 171.35 2k2r n ASP 5 N 6.66 0.00 -0.06 -2.12 2.03 -1.26 -5.00 116.55 116.80 2k2r n ASP 5 Ca 0.05 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.31 2k2r n ASP 5 Cb 0.48 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.85 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k2r h ALA 6 N 1.00 0.02 -1.36 -1.67 0.00 -2.00 -3.33 119.26 111.92 2k2r h ALA 6 Ca 0.00 -0.30 0.40 0.00 0.00 0.00 0.00 54.91 55.00 2k2r h ALA 6 Cb 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2k2r h ALA 6 CO 0.00 0.19 0.97 0.74 0.00 0.00 0.00 179.25 181.16 2k2r h PHE 7 N -1.00 0.06 0.06 0.00 0.04 -1.97 0.33 116.94 114.46 2k2r h PHE 7 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2k2r h PHE 7 Cb 0.38 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 2k2r h PHE 7 CO -0.01 -0.01 -0.05 0.22 -0.60 0.00 0.00 178.31 177.86 2k2r h ASP 8 N 0.03 -0.13 1.63 2.17 3.58 -1.91 -1.41 116.42 120.38 2k2r h ASP 8 Ca 0.66 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 58.10 2k2r h ASP 8 Cb 2.57 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 43.66 2k2r h ASP 8 CO -0.04 -0.07 -0.08 0.74 -2.88 0.00 0.00 179.24 176.91 2k2r h THR 9 N -0.11 0.15 -0.23 2.25 2.02 -1.45 -2.20 112.91 113.34 2k2r h THR 9 Ca -0.01 -1.05 -0.20 0.00 0.77 0.00 0.00 66.41 65.93 2k2r h THR 9 Cb 0.09 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2k2r h THR 9 CO 0.00 0.08 -0.63 -0.07 0.37 0.00 0.00 175.52 175.27 2k2r h LEU 10 N 0.00 0.94 0.00 2.58 4.07 -0.35 0.55 115.31 123.09 2k2r h LEU 10 Ca -0.00 -0.54 -0.18 0.00 0.08 0.00 0.00 57.88 57.24 2k2r h LEU 10 Cb 0.92 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 2k2r h LEU 10 CO 0.01 1.34 -1.06 -0.26 -1.08 0.00 0.00 178.44 177.39 2k2r h PHE 11 N 0.61 0.00 0.00 1.13 0.04 -1.29 0.50 116.94 117.94 2k2r h PHE 11 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2k2r h PHE 11 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 2k2r h PHE 11 CO 0.08 0.74 -0.63 -0.44 -0.60 0.00 0.00 178.31 177.45 2k2r h ASP 12 N 0.00 0.00 0.00 2.17 3.32 -1.36 -3.40 116.42 117.16 2k2r h ASP 12 Ca -0.09 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2k2r h ASP 12 Cb 1.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.19 2k2r h ASP 12 CO 0.08 0.07 -0.32 1.57 -1.72 0.00 0.00 179.24 178.93 2k2r n HIS 13 N -2.31 0.00 -2.69 4.55 -0.00 0.19 -4.99 115.22 109.97 2k2r n HIS 13 Ca 0.03 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.15 2k2r n HIS 13 Cb 0.47 0.01 0.08 0.00 -0.12 0.00 0.00 29.99 30.43 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k2r n ALA 14 N 0.00 -2.61 0.43 1.57 0.00 0.17 -4.90 120.51 115.18 2k2r n ALA 14 Ca 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 53.44 52.80 2k2r n ALA 14 Cb 0.63 -2.48 0.42 0.00 0.00 0.00 0.00 19.45 18.02 2k2r n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k2r n PRO 15 N 1.22 0.12 -0.05 0.00 -0.05 -1.11 -3.08 135.00 132.05 2k2r n PRO 15 Ca 0.02 0.36 -0.20 0.00 -0.05 0.00 0.00 63.50 63.64 2k2r n PRO 15 Cb 0.70 -1.74 -0.13 0.00 -0.05 0.00 0.00 33.50 32.28 2k2r n PRO 15 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 175.50 175.67 2k2r h ASP 16 N 0.00 0.16 -0.39 3.54 3.58 -1.93 -3.31 116.42 118.07 2k2r h ASP 16 Ca 0.00 -0.77 -0.03 0.00 0.42 0.00 0.00 57.03 56.65 2k2r h ASP 16 Cb 0.32 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2k2r h ASP 16 CO 0.00 1.44 0.15 0.11 -2.88 0.00 0.00 179.24 178.06 2k2r h LYS 17 N -0.70 0.65 -0.66 0.28 1.57 -1.91 -1.18 116.57 114.62 2k2r h LYS 17 Ca -0.25 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.49 2k2r h LYS 17 Cb 1.43 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 2k2r h LYS 17 CO -0.05 0.56 0.44 -0.07 -0.57 0.00 0.00 179.45 179.76 2k2r h LEU 18 N 0.64 0.59 -0.02 2.94 3.38 -1.68 0.31 115.31 121.47 2k2r h LEU 18 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k2r h LEU 18 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k2r h LEU 18 CO -0.01 0.38 0.00 -1.13 0.09 0.00 0.00 178.44 177.78 2k2r h ASN 19 N 0.67 0.02 -0.52 -0.43 -0.73 -1.30 -1.74 115.58 111.55 2k2r h ASN 19 Ca 0.28 -0.22 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2k2r h ASN 19 Cb 0.26 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 2k2r h ASN 19 CO -0.09 0.24 0.27 0.58 -0.37 0.00 0.00 177.43 178.07 2k2r h VAL 20 N -0.19 1.18 -0.22 2.57 2.07 -1.04 -1.35 116.25 119.27 2k2r h VAL 20 Ca 0.00 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2k2r h VAL 20 Cb 0.23 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2k2r h VAL 20 CO 0.00 0.21 0.01 0.58 0.02 0.00 0.00 177.57 178.39 2k2r h VAL 21 N 0.78 1.14 -0.41 2.57 2.07 -0.00 -1.14 116.25 121.24 2k2r h VAL 21 Ca 0.20 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2k2r h VAL 21 Cb 0.07 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2k2r h VAL 21 CO -0.03 0.18 0.03 0.50 0.02 0.00 0.00 177.57 178.27 2k2r h LYS 22 N 0.32 0.70 -0.05 1.57 3.64 -0.36 -1.65 116.57 120.75 2k2r h LYS 22 Ca 0.07 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2k2r h LYS 22 Cb 0.20 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2k2r h LYS 22 CO 0.00 0.77 0.06 0.87 -2.27 0.00 0.00 179.45 178.88 2k2r h LYS 23 N 0.54 0.00 0.03 1.90 1.57 -0.93 0.25 116.57 119.93 2k2r h LYS 23 Ca 0.12 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.68 2k2r h LYS 23 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2k2r h LYS 23 CO 0.01 0.00 -0.97 1.15 -0.57 0.00 0.00 179.45 179.07 2k2r h THR 24 N 0.00 1.50 -0.03 -0.16 2.02 -0.61 -2.40 112.91 113.23 2k2r h THR 24 Ca 0.02 -2.74 -0.09 0.00 0.77 0.00 0.00 66.41 64.37 2k2r h THR 24 Cb 0.14 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 2k2r h THR 24 CO -0.00 0.80 -0.43 -0.07 0.37 0.00 0.00 175.52 176.19 2k2r h LEU 25 N 0.12 0.06 -0.93 2.58 3.38 -0.49 -1.46 115.31 118.56 2k2r h LEU 25 Ca -0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2k2r h LEU 25 Cb 1.63 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 2k2r h LEU 25 CO 0.15 0.48 -0.05 0.40 0.09 0.00 0.00 178.44 179.51 2k2r h ILE 26 N 0.05 1.24 -0.62 1.22 2.04 -0.84 -2.76 117.51 117.84 2k2r h ILE 26 Ca 0.00 -1.04 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 2k2r h ILE 26 Cb 0.78 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2k2r h ILE 26 CO 0.06 0.36 0.19 0.74 0.00 0.00 0.00 178.15 179.50 2k2r h THR 27 N 0.67 1.25 -0.25 -0.27 2.02 -0.78 0.55 112.91 116.09 2k2r h THR 27 Ca 0.13 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 2k2r h THR 27 Cb 0.49 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2k2r h THR 27 CO 0.03 0.32 0.13 0.15 0.37 0.00 0.00 175.52 176.52 2k2r h PHE 28 N 0.89 0.36 -0.46 3.16 3.57 -1.21 -0.97 116.94 122.28 2k2r h PHE 28 Ca 0.20 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2k2r h PHE 28 Cb 0.30 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2k2r h PHE 28 CO 0.02 0.33 -0.02 0.28 -2.23 0.00 0.00 178.31 176.69 2k2r h VAL 29 N 0.29 1.26 0.00 1.41 2.07 -1.40 -1.14 116.25 118.74 2k2r h VAL 29 Ca 0.09 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2k2r h VAL 29 Cb 0.10 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2k2r h VAL 29 CO -0.01 0.38 0.02 -1.13 0.02 0.00 0.00 177.57 176.85 2k2r h ASN 30 N 0.67 0.00 0.11 0.57 -0.73 -0.56 0.17 115.58 115.82 2k2r h ASN 30 Ca 0.13 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 2k2r h ASN 30 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.12 2k2r h ASN 30 CO 0.03 0.00 -0.05 0.50 -0.37 0.00 0.00 177.43 177.54 2k2r h LYS 31 N 0.00 -0.14 0.00 6.67 3.64 0.12 2.18 116.57 129.03 2k2r h LYS 31 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2k2r h LYS 31 Cb 0.04 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2k2r h LYS 31 CO 0.00 0.16 -0.00 0.45 -2.27 0.00 0.00 179.45 177.78 2k2r h HIS 32 N -0.99 0.00 0.09 1.91 3.86 -1.24 -1.88 115.15 116.89 2k2r h HIS 32 Ca -0.01 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.01 2k2r h HIS 32 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2k2r h HIS 32 CO 0.07 0.00 -0.92 -0.07 0.86 0.00 0.00 177.93 177.87 2k2r h LEU 33 N 0.00 0.28 -1.82 2.43 3.38 -0.67 -3.25 115.31 115.67 2k2r h LEU 33 Ca -0.00 -0.87 0.40 0.00 0.09 0.00 0.00 57.88 57.50 2k2r h LEU 33 Cb 0.44 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2k2r h LEU 33 CO 0.00 1.41 0.95 -1.13 0.09 0.00 0.00 178.44 179.76 2k2r h ASN 34 N -0.55 0.10 0.24 -0.43 -1.24 0.44 0.25 115.58 114.39 2k2r h ASN 34 Ca -0.20 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.85 2k2r h ASN 34 Cb 1.52 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.55 2k2r h ASN 34 CO 0.04 -0.02 -0.46 0.11 -1.29 0.00 0.00 177.43 175.81 2k2r h LYS 35 N 0.07 -0.73 0.00 6.67 1.79 -1.49 1.45 116.57 124.33 2k2r h LYS 35 Ca 0.69 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 59.21 2k2r h LYS 35 Cb 2.54 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 33.36 2k2r h LYS 35 CO -0.11 -0.49 0.00 -0.11 -1.08 0.00 0.00 179.45 177.66 2k2r n LEU 36 N -5.15 0.00 -3.31 2.94 7.94 -0.05 -4.84 117.00 114.54 2k2r n LEU 36 Ca -0.09 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.67 2k2r n LEU 36 Cb 0.38 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.34 2k2r n LEU 36 CO 0.17 0.00 0.03 -0.46 -1.11 0.00 0.00 177.39 176.03 2k2r n ASN 37 N -0.62 -6.63 0.00 1.96 0.23 0.50 -5.03 115.26 105.66 2k2r n ASN 37 Ca 0.03 -0.25 0.00 0.00 -0.53 0.00 0.00 54.58 53.83 2k2r n ASN 37 Cb 0.01 -3.74 0.00 0.00 -2.08 0.00 0.00 39.78 33.97 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2k2r n LEU 38 N -1.57 0.00 -3.46 -4.53 4.77 -1.12 -4.94 117.00 106.15 2k2r n LEU 38 Ca -0.09 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.90 2k2r n LEU 38 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 2k2r n LEU 38 CO 0.56 0.00 0.54 -0.70 -1.33 0.00 0.00 177.39 176.45 2k2r s GLU 39 N 1.56 0.36 0.24 3.23 2.12 -1.26 -4.62 118.70 120.33 2k2r s GLU 39 Ca 0.00 0.89 0.08 0.00 0.36 0.00 0.00 54.97 56.29 2k2r s GLU 39 Cb 0.00 0.52 -0.04 0.00 0.26 0.00 0.00 34.13 34.87 2k2r s GLU 39 CO 0.00 -0.12 0.12 0.54 -0.54 0.00 0.00 175.26 175.26 2k2r s VAL 40 N 2.51 4.10 0.00 3.70 0.11 -1.26 -5.03 120.40 124.53 2k2r s VAL 40 Ca -0.03 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 2k2r s VAL 40 Cb -0.07 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2k2r s VAL 40 CO -0.18 -0.32 0.00 0.41 -3.33 0.00 0.00 175.10 171.68 2k2r n THR 41 N -0.96 0.00 -3.84 5.04 -1.04 -1.26 -4.97 114.28 107.25 2k2r n THR 41 Ca -0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.65 2k2r n THR 41 Cb 0.58 0.24 -0.12 0.00 -1.82 0.00 0.00 70.33 69.20 2k2r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k2r s GLU 42 N 0.00 2.12 0.20 -2.82 0.41 -1.26 -4.93 118.70 112.42 2k2r s GLU 42 Ca 0.00 -2.99 -0.10 0.00 -0.41 0.00 0.00 54.97 51.48 2k2r s GLU 42 Cb 0.00 -3.10 0.25 0.00 -1.78 0.00 0.00 34.13 29.50 2k2r s GLU 42 CO 0.00 -1.26 1.76 1.25 -0.49 0.00 0.00 175.26 176.53 2k2r h LEU 43 N 5.72 0.32 0.14 1.80 7.12 -1.94 0.11 115.31 128.58 2k2r h LEU 43 Ca 0.11 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.18 2k2r h LEU 43 Cb 0.81 0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.91 2k2r h LEU 43 CO 0.66 0.20 -0.45 -0.33 -0.13 0.00 0.00 178.44 178.39 2k2r h GLU 44 N 0.48 -0.64 0.00 1.25 5.08 -1.90 -1.25 114.58 117.60 2k2r h GLU 44 Ca 0.29 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 2k2r h GLU 44 Cb 0.30 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k2r h GLU 44 CO -0.25 -0.43 0.00 0.25 -1.00 0.00 0.00 179.01 177.58 2k2r n THR 45 N -5.01 0.07 0.38 1.13 -2.24 -1.03 -2.59 114.28 104.99 2k2r n THR 45 Ca -0.08 0.02 0.14 0.00 -2.27 0.00 0.00 64.05 61.86 2k2r n THR 45 Cb 0.35 -0.65 0.43 0.00 -2.10 0.00 0.00 70.33 68.37 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2k2r h GLN 46 N 0.00 0.00 0.00 -0.78 1.08 0.47 -1.89 115.11 113.99 2k2r h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k2r h GLN 46 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2k2r h GLN 46 CO 0.00 0.00 -1.23 1.19 -0.95 0.00 0.00 178.83 177.84 2k2r n PHE 47 N -2.68 0.16 0.39 2.96 3.01 -1.07 -3.24 117.46 116.99 2k2r n PHE 47 Ca 0.03 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2k2r n PHE 47 Cb 0.38 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2k2r n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2r n ALA 48 N -1.85 1.80 -0.20 4.37 0.00 -0.71 -1.98 120.51 121.93 2k2r n ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k2r n ALA 48 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.65 0.00 0.00 0.00 5.75 -1.26 -4.95 116.55 116.74 2k2r n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k2r n ASP 49 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k2r n GLY 50 N 0.00 0.00 0.31 6.12 0.00 -0.84 -4.74 105.19 106.05 2k2r n GLY 50 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k2r n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k2r h VAL 51 N 0.00 0.00 0.00 1.61 2.07 -1.89 -2.22 116.25 115.82 2k2r h VAL 51 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2k2r h VAL 51 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2k2r h VAL 51 CO 0.00 0.00 0.16 -1.22 0.02 0.00 0.00 177.57 176.53 2k2r n TYR 52 N -4.83 0.12 0.05 1.57 4.01 -1.26 -2.23 117.16 114.60 2k2r n TYR 52 Ca -0.09 0.07 -0.03 0.00 -0.16 0.00 0.00 57.90 57.68 2k2r n TYR 52 Cb 0.30 -0.46 -0.01 0.00 -0.31 0.00 0.00 39.34 38.85 2k2r n TYR 52 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2k2r h LEU 53 N 0.00 -0.17 -2.74 7.72 7.12 -1.63 -2.80 115.31 122.81 2k2r h LEU 53 Ca 0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2k2r h LEU 53 Cb 0.32 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 2k2r h LEU 53 CO 0.00 0.15 0.00 0.58 -0.13 0.00 0.00 178.44 179.04 2k2r h VAL 54 N -0.75 0.00 0.90 1.05 2.07 -1.27 -2.53 116.25 115.73 2k2r h VAL 54 Ca -0.02 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2k2r h VAL 54 Cb 0.16 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2k2r h VAL 54 CO 0.03 0.00 -0.43 0.25 0.02 0.00 0.00 177.57 177.44 2k2r h LEU 55 N 0.00 -1.03 -0.97 2.57 7.12 -1.47 -1.14 115.31 120.39 2k2r h LEU 55 Ca 0.00 0.04 0.18 0.00 0.13 0.00 0.00 57.88 58.23 2k2r h LEU 55 Cb 0.09 0.27 -0.10 0.00 -0.53 0.00 0.00 40.66 40.38 2k2r h LEU 55 CO 0.00 -0.68 0.57 0.17 -0.13 0.00 0.00 178.44 178.38 2k2r h LEU 56 N -1.32 0.73 -2.76 2.25 8.10 -1.18 1.71 115.31 122.85 2k2r h LEU 56 Ca -0.12 0.10 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2k2r h LEU 56 Cb 0.93 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 41.12 2k2r h LEU 56 CO 0.20 0.27 -0.00 0.24 -4.11 0.00 0.00 178.44 175.04 2k2r h MET 57 N 0.74 0.00 0.15 0.17 2.86 -1.22 -2.11 114.93 115.52 2k2r h MET 57 Ca 0.56 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.19 2k2r h MET 57 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2k2r h MET 57 CO -0.38 0.00 -0.07 0.78 1.06 0.00 0.00 176.91 178.30 2k2r h GLY 58 N 0.02 -0.21 1.29 8.32 0.00 0.38 -2.47 103.07 110.40 2k2r h GLY 58 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2k2r h GLY 58 CO 0.00 -0.07 0.33 1.41 0.00 0.00 0.00 176.54 178.20 2k2r h LEU 59 N -1.04 0.00 0.04 3.11 -0.00 -1.15 0.72 115.31 116.98 2k2r h LEU 59 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.74 2k2r h LEU 59 Cb 0.20 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2k2r h LEU 59 CO 0.03 0.00 -0.48 0.25 -0.00 0.00 0.00 178.44 178.24 2k2r h LEU 60 N 0.00 0.35 -1.71 1.67 7.12 -1.34 -3.18 115.31 118.23 2k2r h LEU 60 Ca 0.00 -0.85 -0.04 0.00 0.13 0.00 0.00 57.88 57.12 2k2r h LEU 60 Cb 0.65 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 2k2r h LEU 60 CO 0.00 1.16 -0.18 -0.33 -0.13 0.00 0.00 178.44 178.96 2k2r h GLU 61 N -0.41 0.00 -0.00 1.25 5.08 0.84 -3.46 114.58 117.87 2k2r h GLU 61 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k2r h GLU 61 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2k2r h GLU 61 CO 0.09 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 2k2r n GLY 62 N -0.74 1.54 3.57 -3.84 0.00 -0.11 -5.10 105.19 100.50 2k2r n GLY 62 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2k2r n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2r s TYR 63 N -2.00 -0.67 0.43 1.61 2.02 -1.18 -5.02 117.35 112.53 2k2r s TYR 63 Ca 0.00 1.36 -0.07 0.00 -0.37 0.00 0.00 57.07 57.99 2k2r s TYR 63 Cb 0.00 0.36 0.11 0.00 -0.40 0.00 0.00 41.96 42.03 2k2r s TYR 63 CO 0.00 -0.50 0.30 1.97 -1.57 0.00 0.00 175.55 175.76 2k2r n PHE 64 N 1.55 -2.87 -3.33 2.71 -1.74 -1.26 -3.89 117.46 108.63 2k2r n PHE 64 Ca -0.16 -0.28 -0.10 0.00 -0.56 0.00 0.00 57.45 56.35 2k2r n PHE 64 Cb 0.56 -0.38 -0.07 0.00 1.52 0.00 0.00 39.48 41.11 2k2r n PHE 64 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2k2r s VAL 65 N -1.46 -0.60 1.10 1.97 1.01 -1.26 -4.92 120.40 116.23 2k2r s VAL 65 Ca 0.22 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 2k2r s VAL 65 Cb -0.03 -0.90 0.27 0.00 0.00 0.00 0.00 36.38 35.73 2k2r s VAL 65 CO 0.17 -0.21 0.61 -2.65 0.00 0.00 0.00 175.10 173.03 2k2r n PRO 66 N 5.36 -3.58 0.10 2.72 -0.02 -1.26 -4.89 135.00 133.42 2k2r n PRO 66 Ca -0.02 -1.03 -0.17 0.00 -2.02 0.00 0.00 63.50 60.26 2k2r n PRO 66 Cb 0.50 -1.45 -0.14 0.00 -0.02 0.00 0.00 33.50 32.39 2k2r n PRO 66 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k2r h LEU 67 N 0.00 0.46 -1.73 2.45 4.07 -2.01 -3.21 115.31 115.34 2k2r h LEU 67 Ca -0.28 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.16 2k2r h LEU 67 Cb 0.94 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.53 2k2r h LEU 67 CO 0.17 1.41 0.00 0.45 -1.08 0.00 0.00 178.44 179.39 2k2r h HIS 68 N 0.08 0.00 0.00 1.13 3.86 -1.96 -1.36 115.15 116.90 2k2r h HIS 68 Ca -0.17 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 2k2r h HIS 68 Cb 2.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.47 2k2r h HIS 68 CO 0.07 0.00 -0.16 1.03 0.86 0.00 0.00 177.93 179.73 2k2r h SER 69 N 0.00 0.00 -0.38 2.45 0.87 -1.90 -3.43 113.55 111.17 2k2r h SER 69 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k2r h SER 69 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2k2r h SER 69 CO 0.00 0.16 0.00 0.49 -0.53 0.00 0.00 176.83 176.95 2k2r n PHE 70 N -4.18 0.00 -3.56 2.24 3.01 -0.51 -5.00 117.46 109.46 2k2r n PHE 70 Ca -0.02 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.10 2k2r n PHE 70 Cb 0.23 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 2k2r n PHE 70 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2k2r n PHE 71 N 0.00 3.76 -3.25 1.38 3.01 -1.26 -5.05 117.46 116.05 2k2r n PHE 71 Ca 0.00 -3.98 0.00 0.00 1.01 0.00 0.00 57.45 54.48 2k2r n PHE 71 Cb 0.00 -0.97 0.00 0.00 -0.01 0.00 0.00 39.48 38.50 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2k2r n LEU 72 N 1.85 0.00 -4.74 4.37 4.32 -1.26 -4.66 117.00 116.88 2k2r n LEU 72 Ca 0.24 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.89 2k2r n LEU 72 Cb 0.37 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.09 2k2r n LEU 72 CO 0.40 -0.46 -0.28 0.28 -1.22 0.00 0.00 177.39 176.12 2k2r s THR 73 N 0.00 4.53 0.14 -5.08 -1.32 -1.26 -5.04 115.64 107.60 2k2r s THR 73 Ca 0.00 -0.35 -0.34 0.00 -1.21 0.00 0.00 61.69 59.79 2k2r s THR 73 Cb 0.00 -3.00 -0.16 0.00 -1.51 0.00 0.00 72.50 67.83 2k2r s THR 73 CO 0.00 0.46 1.22 -2.65 -2.21 0.00 0.00 174.62 171.44 2k2r n PRO 74 N 1.60 1.13 -0.06 7.08 -0.02 -1.26 -4.89 135.00 138.58 2k2r n PRO 74 Ca -0.16 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2k2r n PRO 74 Cb 0.53 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 2k2r n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k2r n ASP 75 N 2.20 1.97 -0.72 2.55 2.03 -1.26 -5.06 116.55 118.26 2k2r n ASP 75 Ca 0.16 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2k2r n ASP 75 Cb 0.22 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k2r n SER 76 N -3.22 0.40 0.12 1.67 3.41 -1.26 -5.05 113.62 109.69 2k2r n SER 76 Ca -0.24 -0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 57.68 2k2r n SER 76 Cb 0.70 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 2k2r n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2r h PHE 77 N 0.60 -0.36 -0.90 7.33 3.57 -1.99 -3.05 116.94 122.14 2k2r h PHE 77 Ca 0.00 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.74 2k2r h PHE 77 Cb 0.00 0.12 -0.14 0.00 2.79 0.00 0.00 35.95 38.72 2k2r h PHE 77 CO 0.00 -0.09 0.30 1.49 -2.23 0.00 0.00 178.31 177.78 2k2r h GLU 78 N -1.02 0.24 -0.52 1.11 4.81 -1.98 0.75 114.58 117.96 2k2r h GLU 78 Ca -0.04 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2k2r h GLU 78 Cb 0.44 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2k2r h GLU 78 CO 0.07 0.16 0.17 -0.56 -0.73 0.00 0.00 179.01 178.12 2k2r h GLN 79 N 0.24 0.77 0.46 1.92 -0.00 -1.97 -1.59 115.11 114.95 2k2r h GLN 79 Ca 0.58 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 59.08 2k2r h GLN 79 Cb 1.18 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 28.54 2k2r h GLN 79 CO -0.64 0.66 -0.22 0.87 -0.00 0.00 0.00 178.83 179.50 2k2r h LYS 80 N 0.75 -0.60 -0.95 0.06 1.57 0.51 -0.77 116.57 117.15 2k2r h LYS 80 Ca 0.18 0.04 0.27 0.00 -1.87 0.00 0.00 60.65 59.27 2k2r h LYS 80 Cb 0.21 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2k2r h LYS 80 CO -0.01 -0.29 0.82 0.28 -0.57 0.00 0.00 179.45 179.67 2k2r h VAL 81 N -0.94 0.31 0.15 0.50 2.07 -0.68 0.31 116.25 117.96 2k2r h VAL 81 Ca -0.06 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 2k2r h VAL 81 Cb 0.58 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2k2r h VAL 81 CO 0.10 0.00 -1.60 0.25 0.02 0.00 0.00 177.57 176.34 2k2r h LEU 82 N 0.00 0.49 -1.85 2.57 5.85 -0.91 -1.23 115.31 120.22 2k2r h LEU 82 Ca 0.45 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2k2r h LEU 82 Cb 2.07 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 2k2r h LEU 82 CO -0.00 1.57 0.10 -1.13 -0.34 0.00 0.00 178.44 178.64 2k2r h ASN 83 N 0.08 0.17 0.42 1.25 -0.73 0.11 -0.62 115.58 116.26 2k2r h ASN 83 Ca -0.28 -0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.58 2k2r h ASN 83 Cb 2.05 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 40.58 2k2r h ASN 83 CO 0.17 0.13 -1.65 0.58 -0.37 0.00 0.00 177.43 176.29 2k2r h VAL 84 N 0.20 0.99 0.00 2.57 2.07 -1.39 -2.91 116.25 117.79 2k2r h VAL 84 Ca 0.06 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 64.86 2k2r h VAL 84 Cb -0.02 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2k2r h VAL 84 CO -0.01 0.76 -0.06 -1.28 0.02 0.00 0.00 177.57 177.00 2k2r h SER 85 N 0.05 0.00 0.18 0.57 0.87 -0.53 0.55 113.55 115.25 2k2r h SER 85 Ca -0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2k2r h SER 85 Cb 2.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.97 2k2r h SER 85 CO 0.12 0.06 -0.09 0.15 -0.53 0.00 0.00 176.83 176.55 2k2r h PHE 86 N 0.00 -0.23 -0.60 2.24 3.57 -1.17 -0.52 116.94 120.24 2k2r h PHE 86 Ca -0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 2k2r h PHE 86 Cb 0.14 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2k2r h PHE 86 CO 0.00 0.05 0.41 0.00 -2.23 0.00 0.00 178.31 176.54 2k2r h ALA 87 N -0.75 2.27 0.00 2.41 0.00 -1.28 1.55 119.26 123.45 2k2r h ALA 87 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k2r h ALA 87 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k2r h ALA 87 CO 0.04 -0.43 -0.04 0.35 0.00 0.00 0.00 179.25 179.17 2k2r h PHE 88 N 0.21 0.00 0.11 0.00 3.04 -0.85 -1.70 116.94 117.75 2k2r h PHE 88 Ca 0.29 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.09 2k2r h PHE 88 Cb 0.84 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.36 2k2r h PHE 88 CO -0.00 0.04 -0.65 0.93 -2.02 0.00 0.00 178.31 176.61 2k2r h GLU 89 N 0.00 0.24 0.00 1.11 4.39 0.39 -0.02 114.58 120.69 2k2r h GLU 89 Ca -0.00 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2k2r h GLU 89 Cb 0.74 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2k2r h GLU 89 CO 0.01 1.19 0.00 -0.07 -1.16 0.00 0.00 179.01 178.98 2k2r h LEU 90 N -0.49 0.00 0.05 1.33 3.38 -1.18 -2.35 115.31 116.05 2k2r h LEU 90 Ca -0.11 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 2k2r h LEU 90 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2k2r h LEU 90 CO 0.12 0.00 -1.02 0.24 0.09 0.00 0.00 178.44 177.87 2k2r h MET 91 N 0.00 0.11 -0.40 1.13 2.86 -1.27 -0.54 114.93 116.82 2k2r h MET 91 Ca 0.00 -0.19 0.12 0.00 -2.06 0.00 0.00 59.70 57.57 2k2r h MET 91 Cb 0.46 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2k2r h MET 91 CO 0.00 1.09 0.37 0.37 1.06 0.00 0.00 176.91 179.80 2k2r h GLN 92 N -0.69 0.00 0.00 1.72 -0.00 -0.84 0.36 115.11 115.65 2k2r h GLN 92 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.35 2k2r h GLN 92 Cb 1.43 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.91 2k2r h GLN 92 CO -0.04 0.00 -0.40 0.22 0.00 0.00 0.00 178.83 178.61 2k2r h ASP 93 N 0.00 0.00 0.00 -0.69 1.82 -1.46 -3.25 116.42 112.84 2k2r h ASP 93 Ca 0.19 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 2k2r h ASP 93 Cb 0.92 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.93 2k2r h ASP 93 CO -0.00 0.91 0.00 0.61 -1.61 0.00 0.00 179.24 179.15 2k2r n GLY 94 N 1.62 -0.02 0.00 -0.78 0.00 -0.21 -4.88 105.19 100.93 2k2r n GLY 94 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2k2r n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2r n GLY 95 N -0.94 0.50 5.11 -0.02 0.00 0.12 -5.02 105.19 104.94 2k2r n GLY 95 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2k2r n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k2r n LEU 96 N 0.00 0.00 0.00 0.99 -0.00 -1.23 -3.80 117.00 112.96 2k2r n LEU 96 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 2k2r n LEU 96 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2k2r n LEU 96 CO 0.00 0.00 -0.08 -0.62 -0.00 0.00 0.00 177.39 176.69 2k2r n GLU 97 N 0.00 -0.90 -3.71 1.96 1.02 -1.26 -4.84 120.64 112.91 2k2r n GLU 97 Ca 0.00 0.59 -0.27 0.00 -0.02 0.00 0.00 57.16 57.47 2k2r n GLU 97 Cb 0.00 -1.10 0.02 0.00 -0.02 0.00 0.00 31.44 30.34 2k2r n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k2r n LYS 98 N -1.71 -1.17 -1.52 3.49 5.02 -1.26 -4.94 118.16 116.06 2k2r n LYS 98 Ca 0.00 0.66 -0.30 0.00 -2.02 0.00 0.00 58.31 56.66 2k2r n LYS 98 Cb 0.20 -3.33 0.09 0.00 -0.02 0.00 0.00 35.03 31.98 2k2r n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k2r s PRO 99 N -5.38 2.03 0.05 1.97 0.04 -1.26 -4.99 135.00 127.45 2k2r s PRO 99 Ca 0.22 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2k2r s PRO 99 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2k2r s PRO 99 CO 0.88 -1.66 0.00 1.17 0.04 0.00 0.00 177.00 177.43 2k2r n LYS 100 N -3.47 0.00 0.00 4.56 4.81 -1.26 -5.13 118.16 117.67 2k2r n LYS 100 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2k2r n LYS 100 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2k2r n PRO 101 N -2.62 2.21 -4.06 1.64 -0.04 -1.26 -5.12 135.00 125.75 2k2r n PRO 101 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2k2r n PRO 101 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 2k2r n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2r s ARG 102 N 1.43 0.47 0.59 0.54 0.52 -1.26 -4.99 118.95 116.25 2k2r s ARG 102 Ca 0.00 -0.63 0.35 0.00 -0.52 0.00 0.00 55.73 54.94 2k2r s ARG 102 Cb 0.00 -0.25 1.27 0.00 0.52 0.00 0.00 34.95 36.49 2k2r s ARG 102 CO 0.00 0.05 1.46 -1.35 0.02 0.00 0.00 175.30 175.47 2k2r h PRO 103 N 4.81 0.00 0.04 3.54 0.11 -1.91 0.96 132.00 139.54 2k2r h PRO 103 Ca -0.34 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 2k2r h PRO 103 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k2r h PRO 103 CO 0.42 0.00 -0.49 1.05 -0.21 0.00 0.00 178.00 178.77 2k2r h GLU 104 N 0.00 0.07 -1.66 1.05 4.11 -1.94 -3.04 114.58 113.18 2k2r h GLU 104 Ca 0.63 -0.13 0.48 0.00 0.07 0.00 0.00 59.36 60.41 2k2r h GLU 104 Cb 3.06 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 32.29 2k2r h GLU 104 CO -0.01 1.06 1.19 -0.44 0.07 0.00 0.00 179.01 180.88 2k2r h ASP 105 N -0.83 0.01 0.02 3.06 3.32 0.56 1.00 116.42 123.57 2k2r h ASP 105 Ca -0.11 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 2k2r h ASP 105 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2k2r h ASP 105 CO -0.01 -0.01 -0.01 0.40 -1.72 0.00 0.00 179.24 177.90 2k2r h ILE 106 N 0.01 0.00 -1.64 0.35 1.08 -1.48 -3.22 117.51 112.61 2k2r h ILE 106 Ca 0.80 -0.27 0.47 0.00 -0.39 0.00 0.00 64.86 65.47 2k2r h ILE 106 Cb 3.17 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 36.85 2k2r h ILE 106 CO -0.03 0.00 1.23 0.58 -0.69 0.00 0.00 178.15 179.24 2k2r h VAL 107 N -0.30 0.12 0.00 1.67 2.07 -0.88 0.53 116.25 119.46 2k2r h VAL 107 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k2r h VAL 107 Cb 0.02 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2k2r h VAL 107 CO 0.01 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.40 2k2r n ASN 108 N -3.93 0.00 0.00 0.57 5.15 0.33 -4.49 115.26 112.89 2k2r n ASN 108 Ca 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 2k2r n ASN 108 Cb 1.73 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.98 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k2r s ASP 110 N -1.11 3.12 -0.09 0.00 1.47 -1.25 -4.79 116.67 114.01 2k2r s ASP 110 Ca 0.00 1.41 -0.09 0.00 1.18 0.00 0.00 52.55 55.06 2k2r s ASP 110 Cb 0.00 -2.09 -0.03 0.00 -0.34 0.00 0.00 42.92 40.46 2k2r s ASP 110 CO 0.00 -2.85 -0.17 0.18 0.68 0.00 0.00 175.17 173.01 2k2r n LEU 111 N -4.01 1.07 0.00 2.11 7.99 -1.26 -4.30 117.00 118.59 2k2r n LEU 111 Ca 0.06 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2k2r n LEU 111 Cb 0.56 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 2k2r n LEU 111 CO 0.56 -0.41 0.19 1.17 -1.51 0.00 0.00 177.39 177.39 2k2r n LYS 112 N -3.60 0.00 0.40 3.23 3.00 -1.26 -0.49 118.16 119.44 2k2r n LYS 112 Ca -0.07 0.38 -0.19 0.00 -0.00 0.00 0.00 58.31 58.44 2k2r n LYS 112 Cb 0.25 -0.64 -0.10 0.00 0.00 0.00 0.00 35.03 34.54 2k2r n LYS 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2k2r h SER 113 N 0.00 -1.22 -0.99 3.14 4.64 -1.87 -2.65 113.55 114.59 2k2r h SER 113 Ca 0.00 0.07 0.36 0.00 -0.47 0.00 0.00 61.79 61.75 2k2r h SER 113 Cb 0.00 0.36 -0.17 0.00 -0.31 0.00 0.00 62.40 62.29 2k2r h SER 113 CO 0.00 -0.72 0.49 0.00 -0.87 0.00 0.00 176.83 175.74 2k2r h THR 114 N -1.14 0.13 -0.32 2.95 1.03 -1.63 0.64 112.91 114.56 2k2r h THR 114 Ca -0.10 -0.05 -0.14 0.00 -0.01 0.00 0.00 66.41 66.12 2k2r h THR 114 Cb 0.92 -0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 67.98 2k2r h THR 114 CO 0.08 0.02 -0.36 -0.07 -0.01 0.00 0.00 175.52 175.19 2k2r h LEU 115 N 0.14 0.78 -0.20 0.00 3.38 -0.49 -1.37 115.31 117.55 2k2r h LEU 115 Ca 0.77 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 58.42 2k2r h LEU 115 Cb 1.89 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2k2r h LEU 115 CO -0.71 1.06 0.09 0.03 0.09 0.00 0.00 178.44 179.00 2k2r h ARG 116 N 0.62 0.19 -0.23 1.13 3.08 0.62 -0.59 114.38 119.19 2k2r h ARG 116 Ca 0.06 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2k2r h ARG 116 Cb 0.90 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2k2r h ARG 116 CO 0.08 0.13 -0.05 0.28 -1.07 0.00 0.00 179.97 179.34 2k2r h VAL 117 N 0.20 1.28 -0.75 2.04 2.07 -1.40 -2.80 116.25 116.89 2k2r h VAL 117 Ca 0.08 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2k2r h VAL 117 Cb 0.02 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2k2r h VAL 117 CO -0.06 0.32 0.43 -0.07 0.02 0.00 0.00 177.57 178.21 2k2r h LEU 118 N 0.19 0.93 -0.44 2.57 -0.00 -1.11 -1.31 115.31 116.13 2k2r h LEU 118 Ca 0.06 -0.09 0.09 0.00 -0.00 0.00 0.00 57.88 57.94 2k2r h LEU 118 Cb 0.51 -0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 2k2r h LEU 118 CO 0.02 0.74 -0.19 0.22 -0.00 0.00 0.00 178.44 179.24 2k2r h TYR 119 N 1.03 -0.45 -0.93 1.13 3.20 -1.02 0.53 116.97 120.45 2k2r h TYR 119 Ca 0.27 0.05 0.26 0.00 3.14 0.00 0.00 58.73 62.44 2k2r h TYR 119 Cb 0.01 0.27 -0.14 0.00 1.54 0.00 0.00 36.73 38.41 2k2r h TYR 119 CO -0.00 -0.27 0.41 -0.97 -1.64 0.00 0.00 178.16 175.68 2k2r h ASN 120 N -0.09 0.29 0.39 -2.11 -0.73 -0.98 -1.09 115.58 111.25 2k2r h ASN 120 Ca 0.21 0.18 -0.02 0.00 1.87 0.00 0.00 56.30 58.55 2k2r h ASN 120 Cb 0.42 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.19 2k2r h ASN 120 CO -0.50 -0.10 -0.19 -0.07 -0.37 0.00 0.00 177.43 176.20 2k2r h LEU 121 N 0.32 -0.44 -1.52 0.34 4.07 0.44 -2.79 115.31 115.73 2k2r h LEU 121 Ca 0.62 -0.07 0.38 0.00 0.08 0.00 0.00 57.88 58.89 2k2r h LEU 121 Cb 1.30 0.11 -0.05 0.00 1.08 0.00 0.00 40.66 43.10 2k2r h LEU 121 CO -0.60 0.01 1.20 0.15 -1.08 0.00 0.00 178.44 178.12 2k2r h PHE 122 N -1.07 0.00 0.00 1.13 3.57 -0.21 1.69 116.94 122.05 2k2r h PHE 122 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k2r h PHE 122 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 2k2r h PHE 122 CO 0.02 0.00 -0.00 1.15 -2.23 0.00 0.00 178.31 177.25 2k2r h THR 123 N 0.00 1.54 0.00 4.41 2.02 -1.07 -0.37 112.91 119.45 2k2r h THR 123 Ca 0.63 -1.60 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 2k2r h THR 123 Cb 3.03 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 72.06 2k2r h THR 123 CO -0.01 0.42 -0.31 0.11 0.37 0.00 0.00 175.52 176.10 2k2r h LYS 124 N -0.68 0.00 0.00 6.66 1.57 0.27 -3.27 116.57 121.11 2k2r h LYS 124 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k2r h LYS 124 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2k2r h LYS 124 CO 0.00 0.31 -1.31 0.66 -0.57 0.00 0.00 179.45 178.53 2k2r n TYR 125 N -3.70 0.00 -0.54 -1.35 4.02 -0.32 -4.20 117.16 111.06 2k2r n TYR 125 Ca -0.01 0.00 0.44 0.00 -0.01 0.00 0.00 57.90 58.32 2k2r n TYR 125 Cb 0.41 -0.22 0.73 0.00 -0.02 0.00 0.00 39.34 40.25 2k2r n TYR 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2k2r h ARG 126 N 0.00 0.03 0.00 -0.72 2.43 -1.11 0.21 114.38 115.22 2k2r h ARG 126 Ca 0.00 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 2k2r h ARG 126 Cb 0.55 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 2k2r h ARG 126 CO 0.00 0.02 -1.75 0.09 -1.51 0.00 0.00 179.97 176.82 2k2r n ASN 127 N -4.35 1.96 -4.68 -3.80 3.02 -1.26 -4.95 115.26 101.20 2k2r n ASN 127 Ca 0.39 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.59 2k2r n ASN 127 Cb 1.66 1.12 -0.09 0.00 -0.61 0.00 0.00 39.78 41.86 2k2r n ASN 127 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k2r s VAL 128 N -2.54 4.67 -2.00 2.41 1.01 0.73 -5.21 120.40 119.47 2k2r s VAL 128 Ca -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2k2r s VAL 128 Cb 0.06 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.43 2k2r s VAL 128 CO 0.52 0.54 0.58 -0.62 0.00 0.00 0.00 175.10 176.12