#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 1.61 -0.12 -0.14 5.65 -1.26 -4.89 115.29 116.13 2k2r s HIS 2 Ca 0.00 0.93 -0.32 0.00 0.25 0.00 0.00 55.06 55.92 2k2r s HIS 2 Cb 0.00 -3.95 -0.10 0.00 -1.18 0.00 0.00 32.58 27.35 2k2r s HIS 2 CO 0.00 -2.01 2.00 0.39 -0.65 0.00 0.00 174.74 174.47 2k2r n GLU 3 N 8.99 2.14 -2.91 2.88 4.71 -1.26 -4.92 120.64 130.27 2k2r n GLU 3 Ca 0.33 0.74 -0.41 0.00 -0.01 0.00 0.00 57.16 57.82 2k2r n GLU 3 Cb 0.49 -2.80 -0.04 0.00 -1.01 0.00 0.00 31.44 28.08 2k2r n GLU 3 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2k2r s ARG 4 N 4.83 4.50 0.00 3.49 3.00 -1.26 -5.00 118.95 128.51 2k2r s ARG 4 Ca 0.96 1.11 0.00 0.00 -1.00 0.00 0.00 55.73 56.79 2k2r s ARG 4 Cb -0.60 -3.44 0.00 0.00 0.00 0.00 0.00 34.95 30.91 2k2r s ARG 4 CO 0.47 0.05 0.00 -3.47 0.00 0.00 0.00 175.30 172.35 2k2r n ASP 5 N 3.68 0.00 -0.07 -2.12 2.03 -1.26 -5.02 116.55 113.79 2k2r n ASP 5 Ca 0.01 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.25 2k2r n ASP 5 Cb 0.51 0.00 -0.06 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 0.03 -1.26 -1.67 0.00 -2.01 -3.33 119.26 112.03 2k2r h ALA 6 Ca 0.00 -0.37 0.36 0.00 0.00 0.00 0.00 54.91 54.91 2k2r h ALA 6 Cb 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 2k2r h ALA 6 CO 0.00 0.15 0.87 0.27 0.00 0.00 0.00 179.25 180.54 2k2r h PHE 7 N -1.00 0.25 0.00 0.00 -0.00 -1.97 -2.39 116.94 111.83 2k2r h PHE 7 Ca -0.04 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.94 2k2r h PHE 7 Cb 0.54 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.42 2k2r h PHE 7 CO 0.07 -0.02 0.00 -3.47 -0.00 0.00 0.00 178.31 174.89 2k2r n ASP 8 N -4.35 0.00 -0.16 -0.68 2.03 -1.25 0.33 116.55 112.48 2k2r n ASP 8 Ca 0.29 0.97 -0.11 0.00 0.52 0.00 0.00 54.79 56.47 2k2r n ASP 8 Cb 1.27 -0.47 -0.00 0.00 -0.72 0.00 0.00 41.12 41.19 2k2r n ASP 8 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2k2r h THR 9 N 0.00 1.27 -0.32 5.18 2.02 -1.64 0.45 112.91 119.86 2k2r h THR 9 Ca 0.00 -1.18 0.07 0.00 0.77 0.00 0.00 66.41 66.07 2k2r h THR 9 Cb 0.00 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 2k2r h THR 9 CO 0.00 0.40 -0.11 0.25 0.37 0.00 0.00 175.52 176.43 2k2r h LEU 10 N 0.71 -0.40 0.20 2.58 5.85 -1.06 1.50 115.31 124.69 2k2r h LEU 10 Ca 0.12 0.11 -0.34 0.00 0.84 0.00 0.00 57.88 58.62 2k2r h LEU 10 Cb 0.61 0.24 0.02 0.00 0.37 0.00 0.00 40.66 41.89 2k2r h LEU 10 CO 0.04 -0.15 -1.59 -0.26 -0.34 0.00 0.00 178.44 176.14 2k2r h PHE 11 N -0.05 0.77 -0.00 1.25 0.04 -0.08 0.11 116.94 118.97 2k2r h PHE 11 Ca 0.16 -0.56 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2k2r h PHE 11 Cb 0.29 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2k2r h PHE 11 CO -0.33 1.57 -0.07 -0.25 -0.60 0.00 0.00 178.31 178.64 2k2r n ASP 12 N -3.61 0.42 0.00 2.17 8.00 0.16 -4.18 116.55 119.50 2k2r n ASP 12 Ca -0.20 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2k2r n ASP 12 Cb 1.08 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 2k2r n ASP 12 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2k2r n HIS 13 N -0.91 0.00 -2.72 1.24 -0.00 0.51 -4.94 115.22 108.40 2k2r n HIS 13 Ca 0.16 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.27 2k2r n HIS 13 Cb 0.25 0.04 0.08 0.00 -0.12 0.00 0.00 29.99 30.24 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 -1.69 0.31 1.57 0.00 0.34 -4.92 120.51 116.13 2k2r n ALA 14 Ca 0.00 -1.15 0.16 0.00 0.00 0.00 0.00 53.44 52.45 2k2r n ALA 14 Cb 0.34 -1.75 0.70 0.00 0.00 0.00 0.00 19.45 18.75 2k2r n ALA 14 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k2r h PRO 15 N 3.29 0.00 0.04 0.00 0.14 -1.65 -1.97 132.00 131.86 2k2r h PRO 15 Ca -0.16 0.00 -0.21 0.00 0.14 0.00 0.00 66.00 65.77 2k2r h PRO 15 Cb 1.10 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.23 2k2r h PRO 15 CO 0.15 0.00 -1.09 -0.44 0.14 0.00 0.00 178.00 176.76 2k2r h ASP 16 N 0.00 0.14 -0.14 1.44 5.19 -1.92 -3.32 116.42 117.81 2k2r h ASP 16 Ca 0.00 -0.74 -0.05 0.00 -0.62 0.00 0.00 57.03 55.62 2k2r h ASP 16 Cb 0.37 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2k2r h ASP 16 CO 0.00 1.45 -0.05 0.11 -3.12 0.00 0.00 179.24 177.63 2k2r h LYS 17 N -0.72 0.42 -1.00 3.56 1.57 -1.88 -1.37 116.57 117.15 2k2r h LYS 17 Ca -0.27 -0.09 0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2k2r h LYS 17 Cb 1.43 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.58 2k2r h LYS 17 CO -0.07 0.49 0.62 1.25 -0.57 0.00 0.00 179.45 181.17 2k2r h LEU 18 N 0.41 0.83 0.30 2.94 6.46 -1.49 1.57 115.31 126.33 2k2r h LEU 18 Ca 0.09 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2k2r h LEU 18 Cb 0.35 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2k2r h LEU 18 CO 0.01 0.35 -0.14 -1.13 -0.62 0.00 0.00 178.44 176.91 2k2r h ASN 19 N 0.84 -0.34 -0.07 1.25 -1.24 -1.36 -2.38 115.58 112.28 2k2r h ASN 19 Ca 0.55 -0.19 -0.02 0.00 0.71 0.00 0.00 56.30 57.36 2k2r h ASN 19 Cb 0.76 0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 2k2r h ASN 19 CO -0.35 0.04 0.01 0.58 -1.29 0.00 0.00 177.43 176.43 2k2r h VAL 20 N -0.78 1.08 -0.66 2.57 2.07 -0.91 -1.60 116.25 118.02 2k2r h VAL 20 Ca -0.04 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2k2r h VAL 20 Cb 0.51 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2k2r h VAL 20 CO 0.07 0.10 0.22 0.58 0.02 0.00 0.00 177.57 178.56 2k2r h VAL 21 N 0.19 1.24 -0.65 2.57 2.07 0.24 -1.36 116.25 120.55 2k2r h VAL 21 Ca 0.05 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2k2r h VAL 21 Cb 0.11 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2k2r h VAL 21 CO 0.00 0.32 0.28 0.50 0.02 0.00 0.00 177.57 178.69 2k2r h LYS 22 N 0.98 0.95 0.00 1.57 3.64 -0.77 -1.50 116.57 121.44 2k2r h LYS 22 Ca 0.22 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2k2r h LYS 22 Cb 0.26 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2k2r h LYS 22 CO -0.01 0.78 -0.04 0.87 -2.27 0.00 0.00 179.45 178.78 2k2r h LYS 23 N 0.90 0.00 0.00 1.90 1.57 -0.95 -0.06 116.57 119.93 2k2r h LYS 23 Ca 0.22 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 2k2r h LYS 23 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2k2r h LYS 23 CO -0.02 0.04 -0.75 1.15 -0.57 0.00 0.00 179.45 179.30 2k2r h THR 24 N 0.00 1.46 0.00 -0.16 2.02 -0.33 -2.33 112.91 113.58 2k2r h THR 24 Ca -0.00 -2.64 -0.13 0.00 0.77 0.00 0.00 66.41 64.41 2k2r h THR 24 Cb 0.10 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2k2r h THR 24 CO 0.01 0.74 -0.63 -0.07 0.37 0.00 0.00 175.52 175.93 2k2r h LEU 25 N 0.00 0.00 -1.22 2.58 3.38 -0.64 -2.32 115.31 117.09 2k2r h LEU 25 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2k2r h LEU 25 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2k2r h LEU 25 CO 0.10 0.63 -0.15 0.40 0.09 0.00 0.00 178.44 179.51 2k2r h ILE 26 N 0.00 1.21 0.17 1.22 2.04 -0.58 -2.75 117.51 118.82 2k2r h ILE 26 Ca -0.01 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2k2r h ILE 26 Cb 1.24 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2k2r h ILE 26 CO 0.08 0.30 -0.08 0.74 0.00 0.00 0.00 178.15 179.19 2k2r h THR 27 N 0.32 0.96 -0.84 -0.27 2.02 -0.91 0.40 112.91 114.59 2k2r h THR 27 Ca 0.06 -0.72 0.14 0.00 0.77 0.00 0.00 66.41 66.66 2k2r h THR 27 Cb 0.47 1.39 -0.09 0.00 -1.74 0.00 0.00 68.15 68.17 2k2r h THR 27 CO 0.03 0.16 0.42 0.15 0.37 0.00 0.00 175.52 176.65 2k2r h PHE 28 N -0.59 0.74 -0.21 3.16 3.57 -1.37 0.27 116.94 122.52 2k2r h PHE 28 Ca -0.02 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.37 2k2r h PHE 28 Cb 0.44 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2k2r h PHE 28 CO 0.04 0.17 -0.47 0.28 -2.23 0.00 0.00 178.31 176.10 2k2r h VAL 29 N 0.60 1.31 0.00 1.41 2.07 -1.43 -1.57 116.25 118.64 2k2r h VAL 29 Ca 0.45 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2k2r h VAL 29 Cb 0.64 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2k2r h VAL 29 CO -0.36 0.52 0.00 -1.13 0.02 0.00 0.00 177.57 176.62 2k2r h ASN 30 N 0.43 0.00 0.00 0.57 -0.73 0.18 0.14 115.58 116.16 2k2r h ASN 30 Ca 0.03 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 2k2r h ASN 30 Cb 0.98 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.57 2k2r h ASN 30 CO 0.09 0.00 -0.04 0.50 -0.37 0.00 0.00 177.43 177.61 2k2r h LYS 31 N 0.00 0.00 -0.23 6.67 3.64 -0.18 2.48 116.57 128.95 2k2r h LYS 31 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2k2r h LYS 31 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2k2r h LYS 31 CO 0.00 0.40 0.19 1.12 -2.27 0.00 0.00 179.45 178.89 2k2r h HIS 32 N -1.00 0.00 0.00 1.91 2.07 -1.18 -2.16 115.15 114.79 2k2r h HIS 32 Ca -0.01 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.37 2k2r h HIS 32 Cb 0.42 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.38 2k2r h HIS 32 CO 0.10 0.00 -0.77 -0.07 -3.07 0.00 0.00 177.93 174.12 2k2r h LEU 33 N 0.00 0.00 -1.08 6.12 3.38 -0.76 -3.30 115.31 119.68 2k2r h LEU 33 Ca 0.11 -0.68 0.12 0.00 0.09 0.00 0.00 57.88 57.52 2k2r h LEU 33 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2k2r h LEU 33 CO -0.00 1.29 0.84 -1.13 0.09 0.00 0.00 178.44 179.53 2k2r h ASN 34 N -1.00 0.00 0.99 -0.43 -1.24 0.49 0.45 115.58 114.84 2k2r h ASN 34 Ca -0.21 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.75 2k2r h ASN 34 Cb 1.17 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.23 2k2r h ASN 34 CO -0.13 0.00 -0.49 0.11 -1.29 0.00 0.00 177.43 175.63 2k2r h LYS 35 N 0.00 -1.30 0.00 6.67 6.56 -1.50 0.26 116.57 127.26 2k2r h LYS 35 Ca 0.19 0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 2k2r h LYS 35 Cb 1.88 0.29 0.00 0.00 -0.57 0.00 0.00 32.23 33.83 2k2r h LYS 35 CO -0.00 -0.86 0.00 -0.11 -2.06 0.00 0.00 179.45 176.41 2k2r n LEU 36 N -5.67 0.00 -2.88 2.94 -0.00 0.14 -4.87 117.00 106.66 2k2r n LEU 36 Ca -0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.75 2k2r n LEU 36 Cb 0.53 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 2k2r n LEU 36 CO 0.40 0.00 -0.03 -0.46 -0.00 0.00 0.00 177.39 177.30 2k2r n ASN 37 N -0.82 -7.81 0.00 1.96 6.94 0.90 -5.06 115.26 111.37 2k2r n ASN 37 Ca 0.09 0.59 0.00 0.00 -0.02 0.00 0.00 54.58 55.24 2k2r n ASN 37 Cb 0.04 -5.14 0.00 0.00 -2.36 0.00 0.00 39.78 32.32 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2k2r n LEU 38 N -0.18 0.00 -3.46 -4.53 4.77 -1.20 -4.93 117.00 107.47 2k2r n LEU 38 Ca 0.09 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.08 2k2r n LEU 38 Cb 0.43 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2k2r n LEU 38 CO 0.48 0.00 0.48 -0.70 -1.33 0.00 0.00 177.39 176.32 2k2r s GLU 39 N 1.60 0.39 0.35 3.23 2.12 -1.26 -4.52 118.70 120.61 2k2r s GLU 39 Ca 0.00 0.95 -0.00 0.00 0.36 0.00 0.00 54.97 56.28 2k2r s GLU 39 Cb 0.00 0.57 -0.03 0.00 0.26 0.00 0.00 34.13 34.93 2k2r s GLU 39 CO 0.00 -0.16 0.56 0.54 -0.54 0.00 0.00 175.26 175.66 2k2r s VAL 40 N 2.63 5.09 0.00 3.70 0.11 -1.26 -5.01 120.40 125.66 2k2r s VAL 40 Ca -0.02 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 2k2r s VAL 40 Cb -0.09 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2k2r s VAL 40 CO -0.18 -0.56 0.00 0.41 -3.33 0.00 0.00 175.10 171.44 2k2r n THR 41 N -1.75 0.00 -3.77 5.04 -1.04 -1.26 -4.97 114.28 106.52 2k2r n THR 41 Ca -0.04 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.69 2k2r n THR 41 Cb 0.56 0.25 -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 -1.83 -0.64 0.00 0.00 175.07 172.60 2k2r s GLU 42 N 0.00 1.92 0.21 -2.82 -1.05 -1.26 -4.94 118.70 110.76 2k2r s GLU 42 Ca 0.00 -2.83 -0.10 0.00 -0.15 0.00 0.00 54.97 51.89 2k2r s GLU 42 Cb 0.00 -2.83 0.24 0.00 -0.44 0.00 0.00 34.13 31.10 2k2r s GLU 42 CO 0.00 -1.28 1.79 1.25 0.95 0.00 0.00 175.26 177.97 2k2r h LEU 43 N 5.73 0.44 0.03 1.83 7.12 -1.94 -0.08 115.31 128.44 2k2r h LEU 43 Ca 0.13 0.04 0.01 0.00 0.13 0.00 0.00 57.88 58.20 2k2r h LEU 43 Cb 0.82 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.88 2k2r h LEU 43 CO 0.61 0.28 -0.42 -0.33 -0.13 0.00 0.00 178.44 178.44 2k2r h GLU 44 N 0.58 -0.53 0.00 1.25 5.08 -1.89 -1.24 114.58 117.82 2k2r h GLU 44 Ca 0.29 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2k2r h GLU 44 Cb 0.24 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k2r h GLU 44 CO -0.21 -0.35 0.00 0.25 -1.00 0.00 0.00 179.01 177.69 2k2r n THR 45 N -4.82 0.00 0.29 1.13 -2.24 -1.08 -2.87 114.28 104.69 2k2r n THR 45 Ca -0.06 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.87 2k2r n THR 45 Cb 0.32 -0.56 0.47 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.26 -1.81 115.11 113.85 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 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k2r h GLN 46 CO 0.00 0.00 -1.13 1.19 -0.95 0.00 0.00 178.83 177.94 2k2r n PHE 47 N -2.98 0.09 0.39 2.96 3.01 -1.14 -3.43 117.46 116.37 2k2r n PHE 47 Ca 0.02 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2k2r n PHE 47 Cb 0.39 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 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 -1.73 2.29 0.00 4.37 0.00 -0.68 -2.00 120.51 122.75 2k2r n ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k2r n ALA 48 Cb 0.41 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.93 0.00 0.00 0.00 5.68 -1.26 -4.92 116.55 116.98 2k2r n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k2r n ASP 49 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k2r n GLY 50 N -0.02 0.00 0.27 6.12 0.00 -0.85 -4.75 105.19 105.95 2k2r n GLY 50 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.81 116.25 115.23 2k2r h VAL 51 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2k2r h VAL 51 Cb 0.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2k2r h VAL 51 CO 0.00 0.00 0.17 1.88 0.02 0.00 0.00 177.57 179.64 2k2r h TYR 52 N -1.12 0.00 0.26 1.57 0.05 -1.86 -2.47 116.97 113.41 2k2r h TYR 52 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2k2r h TYR 52 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2k2r h TYR 52 CO 0.01 0.00 -0.12 -0.07 -1.05 0.00 0.00 178.16 176.92 2k2r h LEU 53 N 0.00 -0.29 -2.13 3.88 3.38 -1.75 -2.50 115.31 115.90 2k2r h LEU 53 Ca 0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2k2r h LEU 53 Cb 0.33 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k2r h LEU 53 CO 0.00 0.10 0.25 0.58 0.09 0.00 0.00 178.44 179.46 2k2r h VAL 54 N -0.95 0.57 -0.45 1.22 2.07 -1.27 0.19 116.25 117.63 2k2r h VAL 54 Ca -0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2k2r h VAL 54 Cb 0.26 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2k2r h VAL 54 CO 0.06 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.76 2k2r h LEU 55 N 0.00 0.61 -0.09 2.57 3.38 -1.45 -2.64 115.31 117.70 2k2r h LEU 55 Ca 0.13 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2k2r h LEU 55 Cb 0.62 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2k2r h LEU 55 CO -0.00 0.61 -0.43 0.25 0.09 0.00 0.00 178.44 178.96 2k2r h LEU 56 N 0.58 -1.34 -0.93 1.67 5.85 -0.15 0.42 115.31 121.41 2k2r h LEU 56 Ca 0.15 0.17 0.26 0.00 0.84 0.00 0.00 57.88 59.30 2k2r h LEU 56 Cb 0.19 0.54 -0.16 0.00 0.37 0.00 0.00 40.66 41.59 2k2r h LEU 56 CO -0.01 -0.44 0.14 0.24 -0.34 0.00 0.00 178.44 178.03 2k2r h MET 57 N -0.53 0.08 0.01 1.25 2.86 -1.31 -1.01 114.93 116.29 2k2r h MET 57 Ca 0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2k2r h MET 57 Cb 0.64 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2k2r h MET 57 CO -0.38 0.06 -0.00 0.78 1.06 0.00 0.00 176.91 178.43 2k2r h GLY 58 N 0.09 -0.01 1.74 8.32 0.00 -0.78 -2.86 103.07 109.57 2k2r h GLY 58 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2k2r h GLY 58 CO -0.79 -0.00 0.11 1.41 0.00 0.00 0.00 176.54 177.26 2k2r h LEU 59 N -0.99 0.00 0.00 3.11 3.38 -0.75 2.00 115.31 122.05 2k2r h LEU 59 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k2r h LEU 59 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k2r h LEU 59 CO 0.00 0.00 -0.00 0.25 0.09 0.00 0.00 178.44 178.78 2k2r h LEU 60 N 0.00 -0.00 -1.33 1.67 7.12 -1.24 -3.29 115.31 118.23 2k2r h LEU 60 Ca 0.00 -0.37 -0.03 0.00 0.13 0.00 0.00 57.88 57.61 2k2r h LEU 60 Cb 0.21 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 2k2r h LEU 60 CO 0.00 0.68 -0.13 -0.33 -0.13 0.00 0.00 178.44 178.53 2k2r h GLU 61 N -1.00 0.00 -2.24 1.25 5.08 -0.81 -3.48 114.58 113.38 2k2r h GLU 61 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k2r h GLU 61 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k2r h GLU 61 CO 0.00 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 2k2r n GLY 62 N 0.02 -0.25 3.68 -3.84 0.00 0.66 -5.09 105.19 100.38 2k2r n GLY 62 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2k2r n GLY 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k2r s TYR 63 N -1.29 0.22 -0.54 1.61 5.04 -1.12 -5.00 117.35 116.27 2k2r s TYR 63 Ca 0.00 -0.62 -0.23 0.00 -2.44 0.00 0.00 57.07 53.77 2k2r s TYR 63 Cb 0.00 0.38 0.04 0.00 0.35 0.00 0.00 41.96 42.73 2k2r s TYR 63 CO 0.00 -1.12 0.90 -0.06 -1.34 0.00 0.00 175.55 173.93 2k2r s PHE 64 N -3.81 2.83 -0.55 4.97 0.40 -1.26 -4.56 117.98 116.01 2k2r s PHE 64 Ca 0.19 -0.07 -0.00 0.00 -0.60 0.00 0.00 56.93 56.44 2k2r s PHE 64 Cb -0.03 -3.99 0.14 0.00 0.51 0.00 0.00 43.02 39.65 2k2r s PHE 64 CO 0.09 -1.30 0.33 0.14 0.70 0.00 0.00 175.22 175.18 2k2r s VAL 65 N 3.75 3.21 0.73 -0.44 -7.23 -1.26 -5.09 120.40 114.07 2k2r s VAL 65 Ca 0.28 -2.92 -0.16 0.00 -1.81 0.00 0.00 61.98 57.37 2k2r s VAL 65 Cb -0.13 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.67 2k2r s VAL 65 CO 0.18 -0.81 1.15 -2.65 -0.31 0.00 0.00 175.10 172.66 2k2r n PRO 66 N 3.55 0.60 0.23 4.82 -0.02 -1.26 -4.86 135.00 138.07 2k2r n PRO 66 Ca 0.05 0.27 0.16 0.00 -2.02 0.00 0.00 63.50 61.96 2k2r n PRO 66 Cb 0.37 -2.39 0.73 0.00 -0.02 0.00 0.00 33.50 32.18 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 -0.21 0.00 -4.41 2.45 4.07 -1.98 -3.01 115.31 112.23 2k2r h LEU 67 Ca -0.48 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 56.89 2k2r h LEU 67 Cb 1.32 0.00 -0.42 0.00 1.08 0.00 0.00 40.66 42.65 2k2r h LEU 67 CO 0.49 0.00 -0.70 0.00 -1.08 0.00 0.00 178.44 177.14 2k2r n HIS 68 N -2.74 3.31 -0.02 1.13 1.44 -1.26 -4.63 115.22 112.44 2k2r n HIS 68 Ca 0.00 -2.97 -0.02 0.00 -2.01 0.00 0.00 57.72 52.72 2k2r n HIS 68 Cb 0.20 -0.15 -0.04 0.00 0.12 0.00 0.00 29.99 30.12 2k2r n HIS 68 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2k2r n SER 69 N -0.52 3.67 0.00 4.39 2.88 -1.14 -4.99 113.62 117.91 2k2r n SER 69 Ca 0.40 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2k2r n SER 69 Cb 0.70 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 2k2r n SER 69 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k2r n PHE 70 N -2.15 0.00 -0.96 0.66 3.72 -1.26 -4.99 117.46 112.48 2k2r n PHE 70 Ca -0.08 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.03 2k2r n PHE 70 Cb 0.62 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.36 2k2r n PHE 70 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2k2r s PHE 71 N 0.31 1.87 0.58 1.38 5.36 -1.26 -4.98 117.98 121.24 2k2r s PHE 71 Ca 0.00 1.09 -0.09 0.00 -0.96 0.00 0.00 56.93 56.97 2k2r s PHE 71 Cb 0.00 -3.20 0.14 0.00 -0.34 0.00 0.00 43.02 39.61 2k2r s PHE 71 CO 0.00 -3.18 0.31 1.28 -1.46 0.00 0.00 175.22 172.17 2k2r n LEU 72 N -4.40 0.00 -4.73 6.12 4.77 -1.26 -4.91 117.00 112.59 2k2r n LEU 72 Ca 0.05 -0.31 -0.39 0.00 -0.03 0.00 0.00 56.01 55.32 2k2r n LEU 72 Cb 0.56 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2k2r n LEU 72 CO 0.57 -1.98 0.37 0.28 -1.33 0.00 0.00 177.39 175.31 2k2r s THR 73 N -1.37 4.97 0.08 -5.08 -1.32 -1.26 -5.00 115.64 106.66 2k2r s THR 73 Ca 0.24 1.41 -0.31 0.00 -1.21 0.00 0.00 61.69 61.81 2k2r s THR 73 Cb -0.04 -4.02 -0.11 0.00 -1.51 0.00 0.00 72.50 66.82 2k2r s THR 73 CO 0.20 0.31 1.87 -0.81 -2.21 0.00 0.00 174.62 173.98 2k2r n PRO 74 N 3.38 2.72 -0.09 7.08 -0.04 -1.26 -4.86 135.00 141.92 2k2r n PRO 74 Ca -0.03 0.99 -0.17 0.00 -0.04 0.00 0.00 63.50 64.25 2k2r n PRO 74 Cb 0.51 -2.89 -0.07 0.00 -0.04 0.00 0.00 33.50 31.01 2k2r n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k2r n ASP 75 N 6.12 1.82 -2.16 3.54 -0.08 -1.26 -4.95 116.55 119.58 2k2r n ASP 75 Ca 0.19 0.11 -0.03 0.00 -1.51 0.00 0.00 54.79 53.55 2k2r n ASP 75 Cb 0.37 -0.46 -0.01 0.00 2.34 0.00 0.00 41.12 43.36 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2k2r n SER 76 N -3.54 1.90 0.38 1.67 3.41 -1.26 -5.03 113.62 111.15 2k2r n SER 76 Ca -0.35 -1.22 -0.16 0.00 -0.26 0.00 0.00 58.87 56.87 2k2r n SER 76 Cb 0.79 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.03 -0.91 -0.96 7.33 3.57 -1.99 -2.32 116.94 122.69 2k2r h PHE 77 Ca -0.04 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.68 2k2r h PHE 77 Cb 0.13 0.30 -0.13 0.00 2.79 0.00 0.00 35.95 39.04 2k2r h PHE 77 CO 0.00 -0.54 0.51 1.49 -2.23 0.00 0.00 178.31 177.53 2k2r h GLU 78 N -1.17 0.46 0.00 1.11 4.81 -1.98 0.96 114.58 118.76 2k2r h GLU 78 Ca -0.10 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2k2r h GLU 78 Cb 0.77 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2k2r h GLU 78 CO 0.16 0.30 -0.24 1.96 -0.73 0.00 0.00 179.01 180.46 2k2r h GLN 79 N 0.47 0.00 0.00 1.92 4.20 -1.92 -1.31 115.11 118.47 2k2r h GLN 79 Ca 0.62 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.33 2k2r h GLN 79 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2k2r h GLN 79 CO -0.52 0.24 -0.00 0.87 -0.67 0.00 0.00 178.83 178.76 2k2r h LYS 80 N 0.00 -0.00 -0.57 1.46 1.57 0.14 -2.59 116.57 116.58 2k2r h LYS 80 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 2k2r h LYS 80 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2k2r h LYS 80 CO 0.03 0.98 0.53 0.28 -0.57 0.00 0.00 179.45 180.71 2k2r h VAL 81 N -0.99 0.41 0.20 0.50 2.07 -0.60 -1.24 116.25 116.60 2k2r h VAL 81 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k2r h VAL 81 Cb 0.98 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2k2r h VAL 81 CO 0.00 0.00 -0.10 0.25 0.02 0.00 0.00 177.57 177.74 2k2r h LEU 82 N 0.00 -0.23 -1.89 2.57 7.12 -1.20 -0.99 115.31 120.69 2k2r h LEU 82 Ca 0.27 0.01 0.39 0.00 0.13 0.00 0.00 57.88 58.68 2k2r h LEU 82 Cb 1.34 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 41.47 2k2r h LEU 82 CO -0.00 0.21 1.04 -1.13 -0.13 0.00 0.00 178.44 178.43 2k2r h ASN 83 N -1.02 0.00 0.41 1.25 -0.73 -0.84 0.54 115.58 115.18 2k2r h ASN 83 Ca -0.03 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.83 2k2r h ASN 83 Cb 0.21 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 2k2r h ASN 83 CO 0.05 0.00 -1.65 0.58 -0.37 0.00 0.00 177.43 176.03 2k2r h VAL 84 N 0.00 0.99 0.00 2.57 2.07 -1.34 -2.64 116.25 117.90 2k2r h VAL 84 Ca 0.64 -2.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 2k2r h VAL 84 Cb 2.72 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 35.12 2k2r h VAL 84 CO -0.01 0.77 -0.18 0.28 0.02 0.00 0.00 177.57 178.45 2k2r h SER 85 N 0.05 0.00 0.11 0.57 0.02 0.14 -0.81 113.55 113.62 2k2r h SER 85 Ca -0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2k2r h SER 85 Cb 2.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.55 2k2r h SER 85 CO 0.13 0.18 -0.05 0.15 -1.14 0.00 0.00 176.83 176.09 2k2r h PHE 86 N 0.00 -0.13 -0.98 3.45 3.57 -0.87 -0.77 116.94 121.20 2k2r h PHE 86 Ca -0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2k2r h PHE 86 Cb 0.39 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 2k2r h PHE 86 CO 0.00 0.37 0.62 0.00 -2.23 0.00 0.00 178.31 177.07 2k2r h ALA 87 N -0.18 1.66 0.00 2.41 0.00 -1.16 1.68 119.26 123.67 2k2r h ALA 87 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2k2r h ALA 87 Cb 0.57 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k2r h ALA 87 CO 0.02 0.05 -0.12 0.35 0.00 0.00 0.00 179.25 179.55 2k2r h PHE 88 N 0.84 0.00 0.02 0.00 3.57 -1.06 -0.64 116.94 119.67 2k2r h PHE 88 Ca 0.52 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.02 2k2r h PHE 88 Cb 0.70 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2k2r h PHE 88 CO -0.00 0.12 -0.01 0.93 -2.23 0.00 0.00 178.31 177.12 2k2r h GLU 89 N 0.00 -0.03 0.00 1.11 4.39 0.40 -0.40 114.58 120.05 2k2r h GLU 89 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k2r h GLU 89 Cb 0.37 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2k2r h GLU 89 CO 0.02 0.67 0.00 -0.07 -1.16 0.00 0.00 179.01 178.47 2k2r h LEU 90 N -0.94 0.00 0.00 1.33 3.38 -1.15 -2.65 115.31 115.28 2k2r h LEU 90 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2k2r h LEU 90 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2k2r h LEU 90 CO 0.01 0.00 -0.45 0.24 0.09 0.00 0.00 178.44 178.32 2k2r h MET 91 N 0.00 0.00 -1.20 1.13 2.86 -1.11 0.17 114.93 116.78 2k2r h MET 91 Ca 0.00 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.98 2k2r h MET 91 Cb 0.35 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 2k2r h MET 91 CO 0.00 0.87 0.85 0.37 1.06 0.00 0.00 176.91 180.06 2k2r h GLN 92 N -1.00 0.06 0.00 1.72 4.15 -0.85 2.34 115.11 121.53 2k2r h GLN 92 Ca -0.12 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 2k2r h GLN 92 Cb 1.00 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 2k2r h GLN 92 CO -0.07 0.04 -0.31 0.22 -1.93 0.00 0.00 178.83 176.77 2k2r h ASP 93 N 0.06 0.00 0.00 -0.69 1.82 -1.50 -3.23 116.42 112.88 2k2r h ASP 93 Ca 0.59 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2k2r h ASP 93 Cb 2.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.24 2k2r h ASP 93 CO -0.06 0.91 0.00 0.61 -1.61 0.00 0.00 179.24 179.09 2k2r n GLY 94 N 1.63 -0.38 0.00 -0.78 0.00 0.62 -4.92 105.19 101.35 2k2r n GLY 94 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.15 0.25 4.91 -0.02 0.00 0.76 -4.97 105.19 105.98 2k2r n GLY 95 Ca 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 7.94 -1.25 -2.70 117.00 121.98 2k2r n LEU 96 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k2r n LEU 96 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k2r n LEU 96 CO 0.00 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 2k2r n GLU 97 N -0.36 0.00 -3.14 1.96 1.02 -1.26 -4.37 120.64 114.50 2k2r n GLU 97 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 2k2r n GLU 97 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2k2r n GLU 97 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k2r s LYS 98 N 0.00 3.61 0.92 3.49 1.02 -1.26 -4.51 119.74 123.01 2k2r s LYS 98 Ca 0.00 -0.05 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 2k2r s LYS 98 Cb 0.00 -3.83 0.11 0.00 -0.52 0.00 0.00 37.83 33.59 2k2r s LYS 98 CO 0.00 -0.75 0.92 -2.30 -0.92 0.00 0.00 175.35 172.30 2k2r n PRO 99 N 6.00 -0.35 0.03 -1.68 -0.02 -1.26 -4.97 135.00 132.76 2k2r n PRO 99 Ca -0.02 -0.04 -0.05 0.00 -2.02 0.00 0.00 63.50 61.37 2k2r n PRO 99 Cb 0.49 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2k2r n PRO 99 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2k2r h LYS 100 N -1.69 -0.18 0.00 -0.52 1.79 -1.95 -3.46 116.57 110.56 2k2r h LYS 100 Ca -0.43 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2k2r h LYS 100 Cb 1.28 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2k2r h LYS 100 CO 0.39 0.01 0.00 -0.35 -1.08 0.00 0.00 179.45 178.43 2k2r n PRO 101 N -4.89 0.94 -4.30 3.15 -0.04 -1.26 -5.09 135.00 123.51 2k2r n PRO 101 Ca -0.04 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.19 2k2r n PRO 101 Cb 0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.12 1.08 0.51 0.54 0.52 -1.26 -5.00 118.95 115.23 2k2r s ARG 102 Ca 0.00 -1.08 0.46 0.00 -0.52 0.00 0.00 55.73 54.60 2k2r s ARG 102 Cb 0.00 -1.27 1.60 0.00 0.52 0.00 0.00 34.95 35.81 2k2r s ARG 102 CO 0.00 0.30 1.45 -2.30 0.02 0.00 0.00 175.30 174.76 2k2r n PRO 103 N 1.25 -0.00 0.11 3.54 -0.02 -1.26 0.72 135.00 139.33 2k2r n PRO 103 Ca -0.20 1.01 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 2k2r n PRO 103 Cb 0.54 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 2k2r n PRO 103 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k2r h GLU 104 N 0.00 -0.36 -0.91 -0.52 5.08 -1.95 -2.51 114.58 113.41 2k2r h GLU 104 Ca 0.87 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 59.52 2k2r h GLU 104 Cb 3.49 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 32.78 2k2r h GLU 104 CO -0.02 -0.17 1.08 -0.44 -1.00 0.00 0.00 179.01 178.46 2k2r h ASP 105 N -1.07 0.00 0.00 1.42 5.19 -0.10 0.82 116.42 122.69 2k2r h ASP 105 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2k2r h ASP 105 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2k2r h ASP 105 CO 0.06 0.00 -0.01 0.40 -3.12 0.00 0.00 179.24 176.57 2k2r h ILE 106 N 0.00 0.00 -1.07 0.35 1.08 -1.37 -3.32 117.51 113.18 2k2r h ILE 106 Ca 0.43 -0.07 0.31 0.00 -0.39 0.00 0.00 64.86 65.15 2k2r h ILE 106 Cb 2.59 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 36.30 2k2r h ILE 106 CO -0.00 0.00 0.97 0.58 -0.69 0.00 0.00 178.15 179.01 2k2r h VAL 107 N -0.07 0.19 0.00 1.67 2.07 -0.66 -0.48 116.25 118.97 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 0.01 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2k2r h VAL 107 CO 0.00 0.00 0.00 -3.20 0.02 0.00 0.00 177.57 174.39 2k2r n ASN 108 N -3.70 0.00 0.00 0.57 2.85 0.27 -4.56 115.26 110.69 2k2r n ASN 108 Ca 0.23 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 2k2r n ASN 108 Cb 1.32 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.34 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r s ASP 110 N -1.23 5.15 -0.21 0.00 1.47 -1.26 -4.76 116.67 115.84 2k2r s ASP 110 Ca 0.00 1.71 -0.16 0.00 1.18 0.00 0.00 52.55 55.29 2k2r s ASP 110 Cb 0.00 -2.51 -0.09 0.00 -0.34 0.00 0.00 42.92 39.98 2k2r s ASP 110 CO 0.00 -1.60 -0.24 0.18 0.68 0.00 0.00 175.17 174.19 2k2r n LEU 111 N -3.11 1.91 0.00 2.11 4.32 -1.26 -4.29 117.00 116.68 2k2r n LEU 111 Ca 0.08 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 2k2r n LEU 111 Cb 0.53 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 2k2r n LEU 111 CO 0.54 0.04 0.14 1.17 -1.22 0.00 0.00 177.39 178.06 2k2r n LYS 112 N -4.42 0.00 0.51 3.23 4.81 -1.26 -0.14 118.16 120.89 2k2r n LYS 112 Ca -0.28 0.28 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 2k2r n LYS 112 Cb 0.61 -0.49 -0.10 0.00 0.02 0.00 0.00 35.03 35.08 2k2r n LYS 112 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k2r h SER 113 N 0.00 -1.11 -1.59 3.14 4.64 -1.85 -2.58 113.55 114.19 2k2r h SER 113 Ca 0.00 0.04 0.48 0.00 -0.47 0.00 0.00 61.79 61.83 2k2r h SER 113 Cb 0.00 0.29 -0.09 0.00 -0.31 0.00 0.00 62.40 62.29 2k2r h SER 113 CO 0.00 -0.79 1.12 0.74 -0.87 0.00 0.00 176.83 177.03 2k2r h THR 114 N -1.30 0.14 -0.09 2.95 2.02 -1.60 0.83 112.91 115.87 2k2r h THR 114 Ca -0.13 -0.01 -0.24 0.00 0.77 0.00 0.00 66.41 66.79 2k2r h THR 114 Cb 1.00 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2k2r h THR 114 CO 0.22 0.01 -0.89 -0.07 0.37 0.00 0.00 175.52 175.15 2k2r h LEU 115 N 0.03 0.92 -0.95 2.58 3.38 -0.15 -1.32 115.31 119.80 2k2r h LEU 115 Ca 0.81 -0.66 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2k2r h LEU 115 Cb 3.05 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 43.47 2k2r h LEU 115 CO -0.13 1.46 0.62 -0.09 0.09 0.00 0.00 178.44 180.39 2k2r h ARG 116 N 0.47 1.18 -0.03 1.13 2.43 0.91 -0.65 114.38 119.82 2k2r h ARG 116 Ca -0.08 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 2k2r h ARG 116 Cb 1.53 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2k2r h ARG 116 CO 0.18 0.78 -0.12 0.28 -1.51 0.00 0.00 179.97 179.58 2k2r h VAL 117 N 1.21 1.49 -0.95 0.20 2.07 -1.47 -2.80 116.25 115.99 2k2r h VAL 117 Ca 0.38 -1.62 0.16 0.00 0.82 0.00 0.00 66.70 66.45 2k2r h VAL 117 Cb -0.01 2.49 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 2k2r h VAL 117 CO -0.12 0.44 0.60 -0.07 0.02 0.00 0.00 177.57 178.44 2k2r h LEU 118 N -0.47 0.71 0.07 2.57 -0.00 -0.99 0.31 115.31 117.51 2k2r h LEU 118 Ca -0.01 0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.95 2k2r h LEU 118 Cb 0.78 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.34 2k2r h LEU 118 CO 0.02 0.32 -0.14 0.22 -0.00 0.00 0.00 178.44 178.86 2k2r h TYR 119 N 0.72 -0.37 -0.95 1.13 3.20 -1.06 -0.41 116.97 119.23 2k2r h TYR 119 Ca 0.50 0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.67 2k2r h TYR 119 Cb 0.82 0.16 -0.15 0.00 1.54 0.00 0.00 36.73 39.10 2k2r h TYR 119 CO -0.00 -0.22 0.43 -0.97 -1.64 0.00 0.00 178.16 175.76 2k2r h ASN 120 N -0.28 0.29 0.36 -2.11 -0.73 -0.14 -0.84 115.58 112.13 2k2r h ASN 120 Ca 0.03 0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.37 2k2r h ASN 120 Cb 0.30 0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.09 2k2r h ASN 120 CO -0.09 -0.15 -0.17 -0.07 -0.37 0.00 0.00 177.43 176.58 2k2r h LEU 121 N 0.27 -0.41 -1.69 0.34 4.07 -0.45 -2.90 115.31 114.55 2k2r h LEU 121 Ca 0.66 0.01 0.47 0.00 0.08 0.00 0.00 57.88 59.10 2k2r h LEU 121 Cb 1.45 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 43.23 2k2r h LEU 121 CO -0.63 -0.02 1.32 0.15 -1.08 0.00 0.00 178.44 178.17 2k2r h PHE 122 N -1.02 0.00 0.11 1.13 3.57 -0.37 1.35 116.94 121.70 2k2r h PHE 122 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2k2r h PHE 122 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2k2r h PHE 122 CO 0.01 0.00 -0.05 1.15 -2.23 0.00 0.00 178.31 177.19 2k2r h THR 123 N 0.00 1.11 0.00 4.41 2.02 -1.10 -0.92 112.91 118.43 2k2r h THR 123 Ca 0.76 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2k2r h THR 123 Cb 3.39 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 71.59 2k2r h THR 123 CO -0.01 0.26 -0.08 0.11 0.37 0.00 0.00 175.52 176.18 2k2r h LYS 124 N -0.71 0.00 0.00 6.66 1.57 0.19 -3.29 116.57 120.99 2k2r h LYS 124 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2k2r h LYS 124 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2k2r h LYS 124 CO 0.02 0.08 -1.57 0.66 -0.57 0.00 0.00 179.45 178.07 2k2r n TYR 125 N -3.15 0.00 -0.33 -1.35 4.02 -0.19 -3.91 117.16 112.24 2k2r n TYR 125 Ca 0.02 0.00 0.22 0.00 -0.01 0.00 0.00 57.90 58.13 2k2r n TYR 125 Cb 0.44 -0.31 0.49 0.00 -0.02 0.00 0.00 39.34 39.95 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 0.41 0.00 -0.72 2.43 -1.22 -1.51 114.38 113.77 2k2r h ARG 126 Ca 0.00 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.92 2k2r h ARG 126 Cb 0.70 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 2k2r h ARG 126 CO 0.00 0.27 -2.15 0.09 -1.51 0.00 0.00 179.97 176.67 2k2r n ASN 127 N -4.66 0.43 -4.70 -3.80 3.02 -1.26 -4.90 115.26 99.39 2k2r n ASN 127 Ca 0.26 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.45 2k2r n ASN 127 Cb 0.86 1.27 -0.08 0.00 -0.61 0.00 0.00 39.78 41.22 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 -2.76 5.37 -1.50 2.41 1.01 -0.57 -5.20 120.40 119.16 2k2r s VAL 128 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2k2r s VAL 128 Cb 0.08 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2k2r s VAL 128 CO 0.78 0.39 0.38 -0.62 0.00 0.00 0.00 175.10 176.03