#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 -0.05 0.33 -1.55 3.76 -1.26 -5.15 115.29 111.37 2k2r s HIS 2 Ca 0.00 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 2k2r s HIS 2 Cb 0.00 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 2k2r s HIS 2 CO 0.00 -0.18 0.53 -1.83 -0.85 0.00 0.00 174.74 172.41 2k2r s GLU 3 N 1.76 3.49 -0.27 1.40 1.03 -1.26 -5.06 118.70 119.80 2k2r s GLU 3 Ca -0.01 -0.34 -0.18 0.00 0.03 0.00 0.00 54.97 54.46 2k2r s GLU 3 Cb -0.12 -2.68 -0.02 0.00 -0.80 0.00 0.00 34.13 30.50 2k2r s GLU 3 CO -0.04 0.18 0.54 0.50 -1.33 0.00 0.00 175.26 175.11 2k2r s ARG 4 N -4.22 4.04 0.00 -4.83 3.00 -1.26 -4.88 118.95 110.80 2k2r s ARG 4 Ca 0.40 0.33 0.00 0.00 -1.00 0.00 0.00 55.73 55.46 2k2r s ARG 4 Cb -0.10 -3.67 0.00 0.00 0.00 0.00 0.00 34.95 31.19 2k2r s ARG 4 CO 0.35 -0.40 0.00 -3.47 0.00 0.00 0.00 175.30 171.79 2k2r n ASP 5 N 5.61 0.04 -0.01 -2.12 -0.08 -1.26 -5.00 116.55 113.73 2k2r n ASP 5 Ca -0.03 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.19 2k2r n ASP 5 Cb 0.49 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.91 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2r h ALA 6 N 1.02 -0.10 -1.21 -1.67 0.00 -2.00 -3.22 119.26 112.09 2k2r h ALA 6 Ca 0.00 -0.16 0.36 0.00 0.00 0.00 0.00 54.91 55.11 2k2r h ALA 6 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 2k2r h ALA 6 CO 0.00 -0.11 0.78 0.27 0.00 0.00 0.00 179.25 180.20 2k2r h PHE 7 N -1.00 0.54 0.00 0.00 -0.00 -1.97 0.39 116.94 114.91 2k2r h PHE 7 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 2k2r h PHE 7 Cb 0.35 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 2k2r h PHE 7 CO 0.07 -0.08 0.00 -3.47 -0.00 0.00 0.00 178.31 174.83 2k2r n ASP 8 N -4.62 0.00 0.29 -0.68 2.03 -1.24 -0.87 116.55 111.45 2k2r n ASP 8 Ca 0.32 0.88 0.13 0.00 0.52 0.00 0.00 54.79 56.64 2k2r n ASP 8 Cb 1.20 -0.43 0.83 0.00 -0.72 0.00 0.00 41.12 42.00 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 0.67 0.13 5.18 2.02 -1.39 1.27 112.91 120.79 2k2r h THR 9 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2k2r h THR 9 Cb 0.00 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2k2r h THR 9 CO 0.00 0.01 -0.06 -0.07 0.37 0.00 0.00 175.52 175.76 2k2r h LEU 10 N 0.00 -0.15 0.00 2.58 -0.00 -0.20 0.24 115.31 117.79 2k2r h LEU 10 Ca -0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2k2r h LEU 10 Cb 0.01 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2k2r h LEU 10 CO 0.00 0.38 -0.24 -0.26 -0.00 0.00 0.00 178.44 178.32 2k2r h PHE 11 N -0.74 0.00 0.00 1.13 -1.00 -0.66 0.87 116.94 116.55 2k2r h PHE 11 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2k2r h PHE 11 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 2k2r h PHE 11 CO 0.09 0.00 -1.05 -0.25 -1.61 0.00 0.00 178.31 175.48 2k2r n ASP 12 N -2.29 0.75 -0.86 2.17 9.92 0.44 -4.58 116.55 122.09 2k2r n ASP 12 Ca 0.04 -0.65 -0.01 0.00 -0.53 0.00 0.00 54.79 53.64 2k2r n ASP 12 Cb 0.44 0.98 -0.02 0.00 -0.64 0.00 0.00 41.12 41.89 2k2r n ASP 12 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2k2r n HIS 13 N -1.67 0.00 -2.70 1.24 -0.00 0.84 -4.95 115.22 107.98 2k2r n HIS 13 Ca 0.03 -0.26 -0.06 0.00 0.46 0.00 0.00 57.72 57.89 2k2r n HIS 13 Cb 0.38 0.20 0.08 0.00 -0.12 0.00 0.00 29.99 30.52 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 0.10 -2.35 0.42 1.57 0.00 0.30 -4.89 120.51 115.65 2k2r n ALA 14 Ca -0.08 -0.85 0.13 0.00 0.00 0.00 0.00 53.44 52.64 2k2r n ALA 14 Cb 0.73 -2.29 0.49 0.00 0.00 0.00 0.00 19.45 18.38 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 3.14 0.00 0.02 0.00 0.14 -1.85 -2.78 132.00 130.66 2k2r h PRO 15 Ca -0.20 0.00 -0.19 0.00 0.14 0.00 0.00 66.00 65.75 2k2r h PRO 15 Cb 1.14 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.26 2k2r h PRO 15 CO 0.05 0.00 -1.00 0.22 0.14 0.00 0.00 178.00 177.41 2k2r h ASP 16 N 0.00 0.07 -0.32 1.44 1.82 -1.93 -3.33 116.42 114.18 2k2r h ASP 16 Ca 0.00 -0.69 -0.04 0.00 -0.39 0.00 0.00 57.03 55.90 2k2r h ASP 16 Cb 0.46 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 2k2r h ASP 16 CO 0.00 1.40 0.07 0.11 -1.61 0.00 0.00 179.24 179.22 2k2r h LYS 17 N -0.86 0.60 -0.74 0.28 1.57 -1.93 -1.20 116.57 114.29 2k2r h LYS 17 Ca -0.26 -0.11 0.14 0.00 -1.87 0.00 0.00 60.65 58.55 2k2r h LYS 17 Cb 1.33 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2k2r h LYS 17 CO -0.11 0.58 0.50 -0.07 -0.57 0.00 0.00 179.45 179.77 2k2r h LEU 18 N 0.59 0.41 0.14 2.94 3.38 -1.64 1.20 115.31 122.32 2k2r h LEU 18 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2k2r h LEU 18 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2k2r h LEU 18 CO 0.00 0.22 -0.07 -1.13 0.09 0.00 0.00 178.44 177.55 2k2r h ASN 19 N 0.44 -0.16 -0.20 -0.43 -1.24 -1.33 -2.28 115.58 110.36 2k2r h ASN 19 Ca 0.36 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 2k2r h ASN 19 Cb 0.80 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 2k2r h ASN 19 CO -0.12 0.32 0.04 0.58 -1.29 0.00 0.00 177.43 176.96 2k2r h VAL 20 N -0.70 1.16 -0.47 2.57 2.07 -0.99 -2.02 116.25 117.87 2k2r h VAL 20 Ca -0.02 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 2k2r h VAL 20 Cb 0.51 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2k2r h VAL 20 CO 0.03 0.21 0.07 0.58 0.02 0.00 0.00 177.57 178.48 2k2r h VAL 21 N 0.43 1.22 -0.60 2.57 2.07 0.15 -1.47 116.25 120.62 2k2r h VAL 21 Ca 0.10 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 2k2r h VAL 21 Cb 0.23 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2k2r h VAL 21 CO 0.00 0.30 0.22 0.50 0.02 0.00 0.00 177.57 178.61 2k2r h LYS 22 N 0.70 0.91 0.00 1.57 3.64 -0.77 -1.39 116.57 121.24 2k2r h LYS 22 Ca 0.15 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2k2r h LYS 22 Cb 0.34 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2k2r h LYS 22 CO 0.01 0.79 -0.03 0.87 -2.27 0.00 0.00 179.45 178.81 2k2r h LYS 23 N 0.84 0.00 0.00 1.90 1.57 -1.00 -0.00 116.57 119.88 2k2r h LYS 23 Ca 0.20 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 2k2r h LYS 23 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2k2r h LYS 23 CO -0.01 0.03 -0.72 1.15 -0.57 0.00 0.00 179.45 179.33 2k2r h THR 24 N 0.00 1.41 0.00 -0.16 2.02 -0.38 -2.23 112.91 113.57 2k2r h THR 24 Ca -0.00 -2.57 -0.14 0.00 0.77 0.00 0.00 66.41 64.47 2k2r h THR 24 Cb 0.08 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 2k2r h THR 24 CO 0.00 0.71 -0.65 -0.07 0.37 0.00 0.00 175.52 175.88 2k2r h LEU 25 N 0.00 0.00 -1.27 2.58 3.38 -0.57 -2.36 115.31 117.06 2k2r h LEU 25 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k2r h LEU 25 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2k2r h LEU 25 CO 0.09 0.65 -0.26 0.40 0.09 0.00 0.00 178.44 179.41 2k2r h ILE 26 N 0.00 1.23 0.15 1.22 2.04 -0.57 -2.36 117.51 119.22 2k2r h ILE 26 Ca -0.01 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2k2r h ILE 26 Cb 1.29 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2k2r h ILE 26 CO 0.08 0.32 -0.07 0.74 0.00 0.00 0.00 178.15 179.22 2k2r h THR 27 N 0.14 1.00 -1.00 -0.27 2.02 -0.89 0.03 112.91 113.93 2k2r h THR 27 Ca 0.02 -0.92 0.14 0.00 0.77 0.00 0.00 66.41 66.42 2k2r h THR 27 Cb 0.55 1.54 -0.09 0.00 -1.74 0.00 0.00 68.15 68.40 2k2r h THR 27 CO 0.04 0.21 0.63 0.15 0.37 0.00 0.00 175.52 176.91 2k2r h PHE 28 N -0.67 1.12 -0.16 3.16 3.57 -1.35 0.35 116.94 122.96 2k2r h PHE 28 Ca -0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2k2r h PHE 28 Cb 0.49 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2k2r h PHE 28 CO 0.06 0.39 -0.46 0.28 -2.23 0.00 0.00 178.31 176.36 2k2r h VAL 29 N 0.93 1.32 0.00 1.41 2.07 -1.36 -1.39 116.25 119.23 2k2r h VAL 29 Ca 0.52 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2k2r h VAL 29 Cb 0.61 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2k2r h VAL 29 CO -0.30 0.51 0.00 -1.13 0.02 0.00 0.00 177.57 176.67 2k2r h ASN 30 N 0.33 0.00 0.00 0.57 -0.73 0.17 -0.70 115.58 115.22 2k2r h ASN 30 Ca 0.02 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 2k2r h ASN 30 Cb 0.94 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 2k2r h ASN 30 CO 0.08 0.00 -0.01 0.50 -0.37 0.00 0.00 177.43 177.63 2k2r h LYS 31 N 0.00 0.00 -0.06 6.67 1.63 -0.07 2.51 116.57 127.25 2k2r h LYS 31 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 2k2r h LYS 31 Cb 0.17 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2k2r h LYS 31 CO 0.00 0.29 0.06 1.12 -3.45 0.00 0.00 179.45 177.47 2k2r h HIS 32 N -1.00 0.00 0.00 1.91 2.07 -1.36 -2.08 115.15 114.69 2k2r h HIS 32 Ca -0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 2k2r h HIS 32 Cb 0.30 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.26 2k2r h HIS 32 CO 0.08 0.00 -0.67 -0.07 -3.07 0.00 0.00 177.93 174.20 2k2r h LEU 33 N 0.00 0.00 -1.10 6.12 3.38 -1.14 -3.32 115.31 119.25 2k2r h LEU 33 Ca 0.03 -0.57 0.21 0.00 0.09 0.00 0.00 57.88 57.64 2k2r h LEU 33 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2k2r h LEU 33 CO -0.00 1.17 1.02 -1.13 0.09 0.00 0.00 178.44 179.59 2k2r h ASN 34 N -1.00 0.00 -0.03 -0.43 -0.00 0.50 1.10 115.58 115.72 2k2r h ASN 34 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.12 2k2r h ASN 34 Cb 1.02 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.33 2k2r h ASN 34 CO -0.10 0.00 -0.02 0.11 -0.00 0.00 0.00 177.43 177.42 2k2r h LYS 35 N 0.00 0.06 0.00 6.67 1.57 -1.57 -0.70 116.57 122.60 2k2r h LYS 35 Ca 0.35 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2k2r h LYS 35 Cb 2.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.70 2k2r h LYS 35 CO -0.00 0.49 0.00 -0.11 -0.57 0.00 0.00 179.45 179.26 2k2r n LEU 36 N -4.82 0.00 -3.18 2.94 7.94 0.35 -4.88 117.00 115.34 2k2r n LEU 36 Ca -0.08 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.67 2k2r n LEU 36 Cb 0.25 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.21 2k2r n LEU 36 CO 0.34 0.00 0.02 -0.46 -1.11 0.00 0.00 177.39 176.18 2k2r n ASN 37 N -0.65 -6.94 0.00 1.96 6.94 0.32 -5.03 115.26 111.85 2k2r n ASN 37 Ca 0.06 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 2k2r n ASN 37 Cb 0.03 -4.04 0.00 0.00 -2.36 0.00 0.00 39.78 33.41 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 -1.00 0.00 -3.46 -4.53 4.77 -1.19 -4.95 117.00 106.64 2k2r n LEU 38 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2k2r n LEU 38 Cb 0.55 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2k2r n LEU 38 CO 0.53 0.00 0.50 -0.70 -1.33 0.00 0.00 177.39 176.40 2k2r s GLU 39 N 1.73 0.37 0.38 3.23 2.56 -1.26 -4.56 118.70 121.14 2k2r s GLU 39 Ca 0.00 0.93 -0.02 0.00 0.00 0.00 0.00 54.97 55.88 2k2r s GLU 39 Cb 0.00 0.56 -0.04 0.00 2.00 0.00 0.00 34.13 36.65 2k2r s GLU 39 CO 0.00 -0.14 0.62 0.54 -0.56 0.00 0.00 175.26 175.72 2k2r s VAL 40 N 2.59 5.03 0.00 3.70 0.11 -1.26 -5.00 120.40 125.57 2k2r s VAL 40 Ca -0.03 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2k2r s VAL 40 Cb -0.08 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2k2r s VAL 40 CO -0.18 -0.60 0.00 0.41 -3.33 0.00 0.00 175.10 171.40 2k2r n THR 41 N -1.77 0.00 -3.83 5.04 -1.04 -1.26 -4.98 114.28 106.44 2k2r n THR 41 Ca -0.03 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.70 2k2r n THR 41 Cb 0.55 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.67 2.10 0.23 -2.82 2.02 -1.26 -4.94 118.70 113.36 2k2r s GLU 42 Ca 0.00 -2.96 -0.07 0.00 0.02 0.00 0.00 54.97 51.96 2k2r s GLU 42 Cb 0.00 -3.08 0.35 0.00 0.10 0.00 0.00 34.13 31.50 2k2r s GLU 42 CO 0.00 -1.26 1.76 1.25 0.02 0.00 0.00 175.26 177.03 2k2r h LEU 43 N 5.74 0.35 0.24 1.80 7.12 -1.94 0.48 115.31 129.10 2k2r h LEU 43 Ca 0.11 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.19 2k2r h LEU 43 Cb 0.81 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.94 2k2r h LEU 43 CO 0.65 0.19 -0.43 -0.33 -0.13 0.00 0.00 178.44 178.38 2k2r h GLU 44 N 0.51 -0.70 0.00 1.25 5.08 -1.90 -1.49 114.58 117.33 2k2r h GLU 44 Ca 0.35 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2k2r h GLU 44 Cb 0.44 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2k2r h GLU 44 CO -0.31 -0.46 0.00 0.25 -1.00 0.00 0.00 179.01 177.48 2k2r n THR 45 N -4.97 0.06 0.24 1.13 -2.24 -0.99 -2.58 114.28 104.93 2k2r n THR 45 Ca -0.08 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 2k2r n THR 45 Cb 0.36 -0.68 0.41 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.20 -1.93 115.11 113.68 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 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2k2r h GLN 46 CO 0.00 0.07 -0.88 1.19 -0.95 0.00 0.00 178.83 178.26 2k2r n PHE 47 N -3.15 0.32 0.36 2.96 3.01 -1.06 -3.29 117.46 116.61 2k2r n PHE 47 Ca 0.02 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2k2r n PHE 47 Cb 0.44 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.80 1.80 0.00 4.37 0.00 -0.73 -1.63 120.51 122.53 2k2r n ALA 48 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k2r n ALA 48 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.73 0.00 0.00 0.00 5.68 -1.25 -4.91 116.55 116.80 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 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 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 -0.20 0.03 0.48 6.12 0.00 -0.65 -4.66 105.19 106.32 2k2r n GLY 50 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.87 0.58 116.25 118.63 2k2r h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 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 0.52 1.88 0.02 0.00 0.00 177.57 179.99 2k2r h TYR 52 N -0.91 0.00 0.10 1.57 0.05 -1.83 1.02 116.97 116.97 2k2r h TYR 52 Ca -0.05 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.58 2k2r h TYR 52 Cb 0.82 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.57 2k2r h TYR 52 CO -0.31 0.00 -0.66 1.25 -1.05 0.00 0.00 178.16 177.39 2k2r h LEU 53 N 0.00 0.41 -1.38 3.88 5.85 -0.12 -2.70 115.31 121.25 2k2r h LEU 53 Ca 0.00 -0.92 0.08 0.00 0.84 0.00 0.00 57.88 57.89 2k2r h LEU 53 Cb 1.05 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 2k2r h LEU 53 CO 0.00 1.30 0.49 1.62 -0.34 0.00 0.00 178.44 181.51 2k2r h VAL 54 N -0.41 0.97 -0.05 1.05 3.04 0.15 -0.13 116.25 120.87 2k2r h VAL 54 Ca -0.11 -0.25 0.02 0.00 -1.01 0.00 0.00 66.70 65.36 2k2r h VAL 54 Cb 1.48 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.93 2k2r h VAL 54 CO 0.12 0.13 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.64 2k2r h LEU 55 N 0.72 -0.30 -0.62 3.16 -0.00 -1.38 -2.37 115.31 114.52 2k2r h LEU 55 Ca 0.34 0.05 0.08 0.00 -0.00 0.00 0.00 57.88 58.36 2k2r h LEU 55 Cb 0.38 0.14 -0.11 0.00 -0.00 0.00 0.00 40.66 41.08 2k2r h LEU 55 CO -0.12 -0.14 -0.47 0.25 -0.00 0.00 0.00 178.44 177.95 2k2r h LEU 56 N -0.15 -1.64 -0.84 1.67 5.85 -0.69 0.27 115.31 119.79 2k2r h LEU 56 Ca 0.06 0.26 0.21 0.00 0.84 0.00 0.00 57.88 59.25 2k2r h LEU 56 Cb 0.23 0.73 -0.13 0.00 0.37 0.00 0.00 40.66 41.86 2k2r h LEU 56 CO -0.14 -0.33 0.22 0.24 -0.34 0.00 0.00 178.44 178.09 2k2r h MET 57 N -0.22 0.23 0.19 1.25 2.86 -1.19 -0.87 114.93 117.17 2k2r h MET 57 Ca 0.17 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2k2r h MET 57 Cb 0.56 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k2r h MET 57 CO -0.71 0.15 -0.09 0.78 1.06 0.00 0.00 176.91 178.10 2k2r h GLY 58 N 0.24 -0.26 1.54 8.32 0.00 -0.19 -2.86 103.07 109.86 2k2r h GLY 58 Ca 0.51 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2k2r h GLY 58 CO -0.61 -0.09 0.19 1.41 0.00 0.00 0.00 176.54 177.44 2k2r h LEU 59 N -0.95 0.00 0.19 3.11 3.38 -0.76 2.79 115.31 123.07 2k2r h LEU 59 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k2r h LEU 59 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2k2r h LEU 59 CO 0.04 0.00 -0.09 0.25 0.09 0.00 0.00 178.44 178.73 2k2r h LEU 60 N 0.00 -0.22 0.00 1.67 6.46 -1.10 -3.33 115.31 118.80 2k2r h LEU 60 Ca 0.00 -0.22 -0.17 0.00 -0.12 0.00 0.00 57.88 57.38 2k2r h LEU 60 Cb 0.39 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2k2r h LEU 60 CO 0.00 0.32 -0.82 -0.33 -0.62 0.00 0.00 178.44 176.99 2k2r h GLU 61 N -0.99 0.00 -1.92 1.25 5.08 -0.56 -3.48 114.58 113.97 2k2r h GLU 61 Ca -0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2k2r h GLU 61 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 2k2r h GLU 61 CO 0.04 0.76 -0.08 0.41 -1.00 0.00 0.00 179.01 179.15 2k2r n GLY 62 N 1.30 0.60 3.29 -3.84 0.00 0.91 -5.06 105.19 102.39 2k2r n GLY 62 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.04 1.69 -0.02 1.61 1.51 -1.23 -5.03 117.35 112.83 2k2r s TYR 63 Ca 0.03 -1.59 -0.37 0.00 -1.01 0.00 0.00 57.07 54.13 2k2r s TYR 63 Cb -0.02 -0.74 -0.16 0.00 -0.11 0.00 0.00 41.96 40.94 2k2r s TYR 63 CO 0.08 -0.79 1.53 1.97 -1.11 0.00 0.00 175.55 177.23 2k2r n PHE 64 N -0.61 1.84 -2.79 2.71 1.16 -1.26 -4.78 117.46 113.73 2k2r n PHE 64 Ca 0.06 0.51 -0.42 0.00 -1.87 0.00 0.00 57.45 55.72 2k2r n PHE 64 Cb 0.63 -2.42 -0.03 0.00 -1.61 0.00 0.00 39.48 36.04 2k2r n PHE 64 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2k2r s VAL 65 N 1.73 4.86 -0.71 1.97 -7.23 -1.26 -4.91 120.40 114.85 2k2r s VAL 65 Ca 0.88 1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 62.66 2k2r s VAL 65 Cb -0.93 -4.24 -0.25 0.00 0.56 0.00 0.00 36.38 31.52 2k2r s VAL 65 CO 0.52 0.08 1.89 -0.81 -0.31 0.00 0.00 175.10 176.47 2k2r n PRO 66 N 4.60 0.46 -0.03 4.82 -0.04 -1.26 -4.61 135.00 138.94 2k2r n PRO 66 Ca 0.06 -1.61 -0.15 0.00 -0.04 0.00 0.00 63.50 61.76 2k2r n PRO 66 Cb 0.50 -3.32 -0.11 0.00 -0.04 0.00 0.00 33.50 30.52 2k2r n PRO 66 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k2r h LEU 67 N 19.35 0.20 -0.41 1.53 5.85 -1.96 -3.14 115.31 136.73 2k2r h LEU 67 Ca 0.17 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2k2r h LEU 67 Cb 0.85 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k2r h LEU 67 CO 1.49 0.91 0.00 0.00 -0.34 0.00 0.00 178.44 180.51 2k2r n HIS 68 N -4.55 0.00 -0.04 1.25 1.44 -1.26 -1.12 115.22 110.94 2k2r n HIS 68 Ca -0.09 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.63 2k2r n HIS 68 Cb 0.47 -0.02 -0.14 0.00 0.12 0.00 0.00 29.99 30.42 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 -0.17 0.67 -1.65 4.39 2.88 -1.19 -4.96 113.62 113.60 2k2r n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k2r n SER 69 Cb 0.04 1.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 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 -2.37 -1.30 -3.49 0.66 3.01 -0.28 -5.06 117.46 108.64 2k2r n PHE 70 Ca -0.14 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.05 2k2r n PHE 70 Cb 0.74 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.12 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 -0.55 1.14 -0.18 1.38 3.01 -1.26 -5.07 117.46 115.93 2k2r n PHE 71 Ca 0.00 -3.79 -0.06 0.00 1.01 0.00 0.00 57.45 54.61 2k2r n PHE 71 Cb 0.00 -0.25 0.06 0.00 -0.01 0.00 0.00 39.48 39.28 2k2r n PHE 71 CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 2k2r n LEU 72 N 1.94 0.00 -3.86 4.37 -0.00 -1.26 -3.98 117.00 114.21 2k2r n LEU 72 Ca 0.25 -0.18 -0.31 0.00 -0.00 0.00 0.00 56.01 55.77 2k2r n LEU 72 Cb 0.44 -0.29 0.01 0.00 -0.00 0.00 0.00 43.42 43.58 2k2r n LEU 72 CO 0.21 -1.72 -0.15 1.07 -0.00 0.00 0.00 177.39 176.80 2k2r n THR 73 N -3.28 -2.08 -1.53 1.47 5.66 -1.26 -4.71 114.28 108.54 2k2r n THR 73 Ca 0.03 -0.32 -0.55 0.00 -3.05 0.00 0.00 64.05 60.16 2k2r n THR 73 Cb 0.12 -1.80 -0.07 0.00 -1.55 0.00 0.00 70.33 67.04 2k2r n THR 73 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2k2r n PRO 74 N -3.52 0.46 -0.08 1.09 -0.02 -1.26 -4.88 135.00 126.80 2k2r n PRO 74 Ca -0.13 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 2k2r n PRO 74 Cb 0.45 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.89 2.16 -0.85 2.55 2.03 -1.26 -5.06 116.55 118.01 2k2r n ASP 75 Ca 0.19 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2k2r n ASP 75 Cb 0.14 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 -3.25 0.45 0.13 1.67 3.41 -1.26 -5.04 113.62 109.72 2k2r n SER 76 Ca -0.29 -0.69 -0.10 0.00 -0.26 0.00 0.00 58.87 57.53 2k2r n SER 76 Cb 0.76 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.69 -0.36 -0.90 7.33 3.57 -1.99 -3.04 116.94 122.24 2k2r h PHE 77 Ca 0.00 -0.01 0.25 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 -0.04 0.29 1.49 -2.23 0.00 0.00 178.31 177.82 2k2r h GLU 78 N -0.98 0.23 -0.53 1.11 4.81 -1.98 0.64 114.58 117.88 2k2r h GLU 78 Ca -0.04 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2k2r h GLU 78 Cb 0.48 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2k2r h GLU 78 CO 0.07 0.15 0.11 -0.56 -0.73 0.00 0.00 179.01 178.05 2k2r h GLN 79 N 0.23 0.82 0.24 1.92 -0.00 -1.97 -1.39 115.11 114.97 2k2r h GLN 79 Ca 0.58 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 59.05 2k2r h GLN 79 Cb 1.20 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 2k2r h GLN 79 CO -0.64 0.74 -0.12 0.87 -0.00 0.00 0.00 178.83 179.68 2k2r h LYS 80 N 0.78 -0.31 -0.29 0.06 1.57 0.26 -1.74 116.57 116.90 2k2r h LYS 80 Ca 0.17 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 2k2r h LYS 80 Cb 0.31 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2k2r h LYS 80 CO 0.00 0.02 0.40 0.28 -0.57 0.00 0.00 179.45 179.57 2k2r h VAL 81 N -0.69 0.30 0.21 0.50 2.07 -0.60 -0.14 116.25 117.90 2k2r h VAL 81 Ca -0.03 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.14 2k2r h VAL 81 Cb 0.48 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2k2r h VAL 81 CO 0.05 0.00 -1.63 0.25 0.02 0.00 0.00 177.57 176.26 2k2r h LEU 82 N 0.00 0.71 -1.69 2.57 5.85 -0.88 -0.62 115.31 121.24 2k2r h LEU 82 Ca 0.14 -0.91 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 2k2r h LEU 82 Cb 0.93 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2k2r h LEU 82 CO -0.00 1.74 0.05 0.78 -0.34 0.00 0.00 178.44 180.67 2k2r h ASN 83 N 0.12 0.22 0.13 1.25 4.21 -0.14 -1.07 115.58 120.30 2k2r h ASN 83 Ca -0.30 -0.02 -0.29 0.00 1.21 0.00 0.00 56.30 56.90 2k2r h ASN 83 Cb 2.13 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 39.27 2k2r h ASN 83 CO 0.22 0.22 -1.49 0.58 -1.29 0.00 0.00 177.43 175.67 2k2r h VAL 84 N 0.25 0.99 -0.08 2.81 2.07 -1.44 -2.97 116.25 117.88 2k2r h VAL 84 Ca 0.06 -2.41 0.02 0.00 0.82 0.00 0.00 66.70 65.19 2k2r h VAL 84 Cb 0.09 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2k2r h VAL 84 CO -0.00 0.74 0.08 -1.28 0.02 0.00 0.00 177.57 177.12 2k2r h SER 85 N -0.22 0.00 0.07 0.57 0.87 -0.89 0.80 113.55 114.74 2k2r h SER 85 Ca -0.32 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2k2r h SER 85 Cb 1.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.79 2k2r h SER 85 CO 0.08 0.00 -0.03 0.15 -0.53 0.00 0.00 176.83 176.50 2k2r h PHE 86 N 0.00 -0.08 -0.46 2.24 3.57 -1.26 -0.83 116.94 120.11 2k2r h PHE 86 Ca 0.04 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 2k2r h PHE 86 Cb 0.20 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2k2r h PHE 86 CO 0.00 0.19 0.34 0.00 -2.23 0.00 0.00 178.31 176.61 2k2r h ALA 87 N -0.73 2.43 0.00 2.41 0.00 -1.33 1.51 119.26 123.55 2k2r h ALA 87 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k2r h ALA 87 Cb 0.32 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k2r h ALA 87 CO 0.02 -0.57 -0.16 0.35 0.00 0.00 0.00 179.25 178.88 2k2r h PHE 88 N 0.00 0.00 0.09 0.00 3.04 -0.83 -1.32 116.94 117.92 2k2r h PHE 88 Ca 0.22 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 62.03 2k2r h PHE 88 Cb 0.89 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.41 2k2r h PHE 88 CO 0.00 0.16 -0.61 0.93 -2.02 0.00 0.00 178.31 176.77 2k2r h GLU 89 N 0.00 0.25 0.00 1.11 4.39 0.36 -0.28 114.58 120.41 2k2r h GLU 89 Ca -0.00 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2k2r h GLU 89 Cb 0.87 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2k2r h GLU 89 CO 0.02 1.16 0.00 -0.07 -1.16 0.00 0.00 179.01 178.96 2k2r h LEU 90 N -0.45 0.00 0.02 1.33 3.38 -1.14 -2.55 115.31 115.90 2k2r h LEU 90 Ca -0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 2k2r h LEU 90 Cb 1.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2k2r h LEU 90 CO 0.12 0.00 -0.79 0.24 0.09 0.00 0.00 178.44 178.10 2k2r h MET 91 N 0.00 0.05 -0.94 1.13 2.86 -1.18 0.90 114.93 117.75 2k2r h MET 91 Ca 0.00 -0.09 0.27 0.00 -2.06 0.00 0.00 59.70 57.83 2k2r h MET 91 Cb 0.44 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 2k2r h MET 91 CO 0.00 1.04 0.68 1.96 1.06 0.00 0.00 176.91 181.65 2k2r h GLN 92 N -0.86 0.00 0.00 1.72 1.08 -0.88 0.76 115.11 116.92 2k2r h GLN 92 Ca -0.20 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 2k2r h GLN 92 Cb 1.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 2k2r h GLN 92 CO -0.07 0.00 -0.26 0.22 -0.95 0.00 0.00 178.83 177.76 2k2r h ASP 93 N 0.00 0.00 0.00 1.46 1.82 -1.48 -3.19 116.42 115.03 2k2r h ASP 93 Ca 0.45 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 2k2r h ASP 93 Cb 1.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.82 2k2r h ASP 93 CO -0.00 0.90 0.01 0.61 -1.61 0.00 0.00 179.24 179.15 2k2r n GLY 94 N 1.63 -0.10 0.00 -0.78 0.00 0.31 -4.86 105.19 101.39 2k2r n GLY 94 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.08 1.30 4.56 -0.02 0.00 0.24 -4.97 105.19 105.23 2k2r n GLY 95 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.22 -4.14 117.00 120.57 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 -0.85 0.00 -3.79 1.96 1.02 -1.26 -4.35 120.64 113.37 2k2r n GLU 97 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2k2r n GLU 97 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 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 2.28 0.92 3.49 1.02 -1.26 -5.01 119.74 121.17 2k2r s LYS 98 Ca 0.00 -2.34 -0.11 0.00 0.02 0.00 0.00 55.97 53.54 2k2r s LYS 98 Cb 0.00 -3.60 0.14 0.00 -0.52 0.00 0.00 37.83 33.85 2k2r s LYS 98 CO 0.00 -1.13 1.10 -1.25 -0.92 0.00 0.00 175.35 173.15 2k2r s PRO 99 N 0.24 1.05 -0.09 -1.68 0.05 -1.26 -5.01 135.00 128.31 2k2r s PRO 99 Ca 0.14 1.09 0.02 0.00 0.05 0.00 0.00 61.00 62.31 2k2r s PRO 99 Cb -0.22 -1.76 -0.07 0.00 0.05 0.00 0.00 34.50 32.50 2k2r s PRO 99 CO -0.03 -2.46 -0.05 1.17 0.05 0.00 0.00 177.00 175.68 2k2r n LYS 100 N -4.07 0.96 0.00 4.56 4.81 -1.26 -5.05 118.16 118.11 2k2r n LYS 100 Ca 0.08 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2k2r n LYS 100 Cb 0.54 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.40 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 -2.64 2.96 -3.70 1.64 -0.04 -1.26 -5.13 135.00 126.84 2k2r n PRO 101 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 2k2r n PRO 101 Cb 0.70 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.09 2k2r n PRO 101 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2k2r s ARG 102 N 1.25 0.90 0.46 0.54 1.70 -1.26 -5.01 118.95 117.54 2k2r s ARG 102 Ca 0.00 -0.47 0.39 0.00 -0.47 0.00 0.00 55.73 55.19 2k2r s ARG 102 Cb 0.00 0.40 1.50 0.00 -0.57 0.00 0.00 34.95 36.27 2k2r s ARG 102 CO 0.00 -0.31 1.43 -2.30 -1.08 0.00 0.00 175.30 173.04 2k2r n PRO 103 N 0.43 -0.01 0.02 3.89 -0.02 -1.26 0.05 135.00 138.08 2k2r n PRO 103 Ca -0.18 1.06 -0.07 0.00 -2.02 0.00 0.00 63.50 62.28 2k2r n PRO 103 Cb 0.60 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.15 -0.65 -0.52 5.08 -1.96 -2.92 114.58 113.46 2k2r h GLU 104 Ca 0.84 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 59.40 2k2r h GLU 104 Cb 3.10 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 32.36 2k2r h GLU 104 CO -0.18 0.18 1.03 -0.44 -1.00 0.00 0.00 179.01 178.59 2k2r h ASP 105 N -0.98 0.00 0.00 1.42 3.32 -0.78 0.69 116.42 120.09 2k2r h ASP 105 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2k2r h ASP 105 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2k2r h ASP 105 CO 0.03 0.00 -0.02 0.40 -1.72 0.00 0.00 179.24 177.93 2k2r h ILE 106 N 0.00 0.00 -1.48 0.35 1.08 -1.44 -3.33 117.51 112.69 2k2r h ILE 106 Ca 0.31 -0.08 0.43 0.00 -0.39 0.00 0.00 64.86 65.13 2k2r h ILE 106 Cb 2.37 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.06 2k2r h ILE 106 CO -0.00 0.00 1.07 0.58 -0.69 0.00 0.00 178.15 179.10 2k2r h VAL 107 N -0.08 0.26 0.00 1.67 2.07 -0.92 0.83 116.25 120.08 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 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 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 -4.09 0.00 0.00 0.57 5.15 0.23 -4.47 115.26 112.64 2k2r n ASN 108 Ca 0.33 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 2k2r n ASN 108 Cb 1.54 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.79 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 -1.40 3.82 -0.22 0.00 1.47 -1.26 -4.71 116.67 114.38 2k2r s ASP 110 Ca 0.00 1.96 -0.16 0.00 1.18 0.00 0.00 52.55 55.53 2k2r s ASP 110 Cb 0.00 -2.53 -0.10 0.00 -0.34 0.00 0.00 42.92 39.95 2k2r s ASP 110 CO 0.00 -2.49 -0.24 0.18 0.68 0.00 0.00 175.17 173.30 2k2r n LEU 111 N -3.83 1.92 0.00 2.11 4.77 -1.26 -4.28 117.00 116.43 2k2r n LEU 111 Ca 0.10 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2k2r n LEU 111 Cb 0.53 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2k2r n LEU 111 CO 0.52 0.12 0.17 1.17 -1.33 0.00 0.00 177.39 178.04 2k2r n LYS 112 N -4.40 0.00 0.29 3.23 4.81 -1.26 -0.36 118.16 120.47 2k2r n LYS 112 Ca -0.32 0.34 -0.18 0.00 -0.87 0.00 0.00 58.31 57.28 2k2r n LYS 112 Cb 0.65 -0.61 -0.09 0.00 0.02 0.00 0.00 35.03 35.00 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 -1.28 -1.21 3.14 4.64 -1.84 -2.19 113.55 114.81 2k2r h SER 113 Ca 0.00 0.10 0.39 0.00 -0.47 0.00 0.00 61.79 61.81 2k2r h SER 113 Cb 0.00 0.42 -0.13 0.00 -0.31 0.00 0.00 62.40 62.38 2k2r h SER 113 CO 0.00 -0.64 0.76 0.74 -0.87 0.00 0.00 176.83 176.82 2k2r h THR 114 N -0.96 0.20 -0.20 2.95 2.02 -1.59 0.53 112.91 115.86 2k2r h THR 114 Ca -0.06 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 2k2r h THR 114 Cb 0.84 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2k2r h THR 114 CO -0.05 0.03 -0.18 -0.07 0.37 0.00 0.00 175.52 175.62 2k2r h LEU 115 N 0.16 0.51 -0.58 2.58 3.38 -0.07 -1.08 115.31 120.21 2k2r h LEU 115 Ca 0.78 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 58.39 2k2r h LEU 115 Cb 2.25 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 42.75 2k2r h LEU 115 CO -0.45 0.87 -0.22 0.03 0.09 0.00 0.00 178.44 178.76 2k2r h ARG 116 N 0.16 -0.07 0.29 1.13 -0.00 0.38 -0.60 114.38 115.66 2k2r h ARG 116 Ca 0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.51 2k2r h ARG 116 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.71 2k2r h ARG 116 CO 0.05 -0.05 -0.14 0.28 0.00 0.00 0.00 179.97 180.11 2k2r h VAL 117 N -0.07 0.71 -0.88 2.04 2.07 -1.43 -2.79 116.25 115.90 2k2r h VAL 117 Ca 0.27 -0.63 0.20 0.00 0.82 0.00 0.00 66.70 67.37 2k2r h VAL 117 Cb 0.49 1.03 -0.12 0.00 -1.52 0.00 0.00 31.29 31.17 2k2r h VAL 117 CO -0.64 0.12 0.38 -0.07 0.02 0.00 0.00 177.57 177.38 2k2r h LEU 118 N -0.75 0.32 -0.07 2.57 -0.00 -0.79 0.48 115.31 117.07 2k2r h LEU 118 Ca -0.04 0.15 0.04 0.00 -0.00 0.00 0.00 57.88 58.02 2k2r h LEU 118 Cb 0.50 0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.23 2k2r h LEU 118 CO 0.07 0.02 -0.23 0.22 -0.00 0.00 0.00 178.44 178.52 2k2r h TYR 119 N 0.42 -0.60 -0.99 1.13 3.20 -1.06 0.10 116.97 119.17 2k2r h TYR 119 Ca 0.53 0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.73 2k2r h TYR 119 Cb 0.98 0.28 -0.15 0.00 1.54 0.00 0.00 36.73 39.38 2k2r h TYR 119 CO -0.14 -0.31 0.52 -0.97 -1.64 0.00 0.00 178.16 175.62 2k2r h ASN 120 N -0.32 0.45 0.37 -2.11 -1.24 0.21 -0.92 115.58 112.03 2k2r h ASN 120 Ca 0.08 0.19 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 2k2r h ASN 120 Cb 0.44 0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2k2r h ASN 120 CO -0.25 -0.13 -0.18 -0.07 -1.29 0.00 0.00 177.43 175.51 2k2r h LEU 121 N 0.32 -0.42 -1.69 0.34 4.07 -0.00 -2.84 115.31 115.10 2k2r h LEU 121 Ca 0.71 0.01 0.48 0.00 0.08 0.00 0.00 57.88 59.16 2k2r h LEU 121 Cb 1.57 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 43.35 2k2r h LEU 121 CO -0.61 -0.06 1.35 0.15 -1.08 0.00 0.00 178.44 178.19 2k2r h PHE 122 N -0.97 0.00 0.09 1.13 3.57 -0.24 1.52 116.94 122.05 2k2r h PHE 122 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2k2r h PHE 122 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2k2r h PHE 122 CO 0.02 0.00 -0.05 1.15 -2.23 0.00 0.00 178.31 177.20 2k2r h THR 123 N 0.00 1.14 0.00 4.41 2.02 -1.09 -0.77 112.91 118.62 2k2r h THR 123 Ca 0.79 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2k2r h THR 123 Cb 3.48 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 71.76 2k2r h THR 123 CO -0.01 0.27 -0.07 0.11 0.37 0.00 0.00 175.52 176.20 2k2r h LYS 124 N -0.70 0.00 0.00 6.66 1.57 0.23 -3.29 116.57 121.04 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 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2k2r h LYS 124 CO 0.02 0.07 -1.29 0.66 -0.57 0.00 0.00 179.45 178.33 2k2r n TYR 125 N -3.14 0.00 -0.40 -1.35 4.02 -0.12 -3.89 117.16 112.28 2k2r n TYR 125 Ca 0.02 0.00 0.32 0.00 -0.01 0.00 0.00 57.90 58.24 2k2r n TYR 125 Cb 0.46 -0.21 0.62 0.00 -0.02 0.00 0.00 39.34 40.19 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 0.18 0.00 -0.72 2.43 -1.20 -0.83 114.38 114.23 2k2r h ARG 126 Ca 0.00 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2k2r h ARG 126 Cb 0.56 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2k2r h ARG 126 CO 0.00 0.12 -1.69 0.09 -1.51 0.00 0.00 179.97 176.98 2k2r n ASN 127 N -4.55 2.23 -4.69 -3.80 5.03 -1.26 -4.96 115.26 103.27 2k2r n ASN 127 Ca 0.32 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.42 2k2r n ASN 127 Cb 1.23 1.06 -0.09 0.00 -1.02 0.00 0.00 39.78 40.96 2k2r n ASN 127 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k2r s VAL 128 N -2.48 4.75 -2.00 2.41 1.01 -0.32 -5.20 120.40 118.58 2k2r s VAL 128 Ca -0.05 -0.06 0.16 0.00 0.00 0.00 0.00 61.98 62.03 2k2r s VAL 128 Cb 0.05 -3.09 0.47 0.00 0.00 0.00 0.00 36.38 33.81 2k2r s VAL 128 CO 0.48 0.53 1.39 -0.62 0.00 0.00 0.00 175.10 176.88