#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 3.10 0.52 -1.55 2.46 -1.26 -5.06 115.29 113.51 2k2r s HIS 2 Ca 0.00 -0.81 -0.04 0.00 0.47 0.00 0.00 55.06 54.68 2k2r s HIS 2 Cb 0.00 -3.60 -0.01 0.00 -0.13 0.00 0.00 32.58 28.84 2k2r s HIS 2 CO 0.00 -1.05 0.80 -1.21 -2.47 0.00 0.00 174.74 170.82 2k2r s GLU 3 N 2.31 3.14 -0.06 2.88 8.01 -1.26 -5.09 118.70 128.63 2k2r s GLU 3 Ca 0.10 -0.08 -0.02 0.00 0.01 0.00 0.00 54.97 54.99 2k2r s GLU 3 Cb -0.23 -2.38 0.03 0.00 -4.31 0.00 0.00 34.13 27.24 2k2r s GLU 3 CO 0.08 -0.44 0.03 0.50 0.01 0.00 0.00 175.26 175.44 2k2r s ARG 4 N -4.80 0.31 0.00 1.61 3.00 -1.26 -4.99 118.95 112.82 2k2r s ARG 4 Ca 0.50 0.22 0.00 0.00 -1.00 0.00 0.00 55.73 55.45 2k2r s ARG 4 Cb -0.10 -0.76 0.00 0.00 0.00 0.00 0.00 34.95 34.09 2k2r s ARG 4 CO 0.43 -0.31 0.00 -3.47 0.00 0.00 0.00 175.30 171.95 2k2r n ASP 5 N 5.16 0.62 0.23 -2.12 -0.08 -1.26 -4.98 116.55 114.12 2k2r n ASP 5 Ca -0.06 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.08 2k2r n ASP 5 Cb 0.50 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.88 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 1.26 -0.61 -1.39 -1.67 0.00 -2.00 -2.88 119.26 111.97 2k2r h ALA 6 Ca 0.00 -0.19 0.41 0.00 0.00 0.00 0.00 54.91 55.13 2k2r h ALA 6 Cb 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 2k2r h ALA 6 CO 0.00 -0.70 0.97 0.27 0.00 0.00 0.00 179.25 179.79 2k2r h PHE 7 N -0.90 0.20 0.04 0.00 -0.00 -1.96 0.14 116.94 114.46 2k2r h PHE 7 Ca -0.06 0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 57.91 2k2r h PHE 7 Cb 0.58 -0.05 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 2k2r h PHE 7 CO 0.01 -0.03 -0.02 0.22 -0.00 0.00 0.00 178.31 178.48 2k2r h ASP 8 N 0.08 -0.06 0.98 -0.68 3.58 -1.89 -0.77 116.42 117.66 2k2r h ASP 8 Ca 0.71 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 58.15 2k2r h ASP 8 Cb 2.59 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 43.65 2k2r h ASP 8 CO -0.13 -0.04 -0.10 0.74 -2.88 0.00 0.00 179.24 176.83 2k2r h THR 9 N -0.06 0.25 -0.05 2.25 2.02 -1.41 0.44 112.91 116.35 2k2r h THR 9 Ca -0.01 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 2k2r h THR 9 Cb 0.05 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2k2r h THR 9 CO 0.01 0.10 -0.28 -0.07 0.37 0.00 0.00 175.52 175.64 2k2r h LEU 10 N 0.00 0.33 0.00 2.58 4.07 -0.71 0.52 115.31 122.10 2k2r h LEU 10 Ca -0.00 -0.67 0.00 0.00 0.08 0.00 0.00 57.88 57.29 2k2r h LEU 10 Cb 0.62 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2k2r h LEU 10 CO 0.01 0.95 -0.29 -0.26 -1.08 0.00 0.00 178.44 177.77 2k2r h PHE 11 N -0.26 0.00 0.00 1.13 -1.00 -1.09 0.15 116.94 115.87 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 0.95 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.51 2k2r h PHE 11 CO 0.14 0.00 -1.10 -0.25 -1.61 0.00 0.00 178.31 175.49 2k2r n ASP 12 N -2.75 0.75 -0.84 2.17 8.00 0.14 -4.55 116.55 119.46 2k2r n ASP 12 Ca 0.03 -0.67 -0.00 0.00 0.71 0.00 0.00 54.79 54.86 2k2r n ASP 12 Cb 0.51 1.04 -0.01 0.00 -0.02 0.00 0.00 41.12 42.64 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 -1.67 0.00 -2.69 1.24 -0.00 0.18 -4.98 115.22 107.29 2k2r n HIS 13 Ca 0.03 -0.22 -0.06 0.00 0.46 0.00 0.00 57.72 57.93 2k2r n HIS 13 Cb 0.38 0.09 0.08 0.00 -0.12 0.00 0.00 29.99 30.42 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 0.13 -2.58 0.39 1.57 0.00 0.51 -4.87 120.51 115.66 2k2r n ALA 14 Ca -0.03 -0.75 0.13 0.00 0.00 0.00 0.00 53.44 52.79 2k2r n ALA 14 Cb 0.77 -2.47 0.52 0.00 0.00 0.00 0.00 19.45 18.27 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 0.04 0.00 0.14 -1.83 -2.94 132.00 130.55 2k2r h PRO 15 Ca -0.21 0.00 -0.21 0.00 0.14 0.00 0.00 66.00 65.72 2k2r h PRO 15 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.27 2k2r h PRO 15 CO 0.02 0.00 -1.10 0.22 0.14 0.00 0.00 178.00 177.28 2k2r h ASP 16 N 0.00 0.13 -0.74 1.44 1.82 -1.93 -3.34 116.42 113.80 2k2r h ASP 16 Ca 0.00 -0.72 -0.00 0.00 -0.39 0.00 0.00 57.03 55.92 2k2r h ASP 16 Cb 0.46 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.40 2k2r h ASP 16 CO 0.00 1.45 0.45 0.11 -1.61 0.00 0.00 179.24 179.64 2k2r h LYS 17 N -0.76 1.01 -0.87 0.28 1.57 -1.92 -1.26 116.57 114.62 2k2r h LYS 17 Ca -0.27 -0.09 0.21 0.00 -1.87 0.00 0.00 60.65 58.62 2k2r h LYS 17 Cb 1.41 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 2k2r h LYS 17 CO -0.08 0.72 0.59 -0.07 -0.57 0.00 0.00 179.45 180.03 2k2r h LEU 18 N 1.02 0.31 0.20 2.94 3.38 -1.68 0.86 115.31 122.34 2k2r h LEU 18 Ca 0.27 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2k2r h LEU 18 Cb -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k2r h LEU 18 CO -0.05 0.13 -0.10 -1.13 0.09 0.00 0.00 178.44 177.38 2k2r h ASN 19 N 0.32 -0.23 0.30 -0.43 -1.24 -1.35 -2.57 115.58 110.38 2k2r h ASN 19 Ca 0.44 -0.29 -0.05 0.00 0.71 0.00 0.00 56.30 57.11 2k2r h ASN 19 Cb 1.23 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.33 2k2r h ASN 19 CO -0.14 0.23 -0.26 0.58 -1.29 0.00 0.00 177.43 176.56 2k2r h VAL 20 N -0.77 1.11 -0.32 2.57 2.07 -0.95 -2.65 116.25 117.31 2k2r h VAL 20 Ca -0.03 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 2k2r h VAL 20 Cb 0.51 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2k2r h VAL 20 CO 0.05 0.25 0.05 0.58 0.02 0.00 0.00 177.57 178.52 2k2r h VAL 21 N 0.00 1.23 -0.82 2.57 2.07 0.74 -1.89 116.25 120.15 2k2r h VAL 21 Ca -0.00 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2k2r h VAL 21 Cb 0.48 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2k2r h VAL 21 CO 0.03 0.27 0.45 0.50 0.02 0.00 0.00 177.57 178.84 2k2r h LYS 22 N 0.36 1.14 -0.23 1.57 3.64 -1.22 -1.35 116.57 120.48 2k2r h LYS 22 Ca 0.10 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2k2r h LYS 22 Cb 0.35 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2k2r h LYS 22 CO 0.01 0.83 0.16 0.87 -2.27 0.00 0.00 179.45 179.06 2k2r h LYS 23 N 1.13 0.01 -0.00 1.90 1.57 -1.09 0.35 116.57 120.44 2k2r h LYS 23 Ca 0.29 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.89 2k2r h LYS 23 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2k2r h LYS 23 CO -0.05 0.01 -0.81 1.15 -0.57 0.00 0.00 179.45 179.18 2k2r h THR 24 N 0.01 1.53 0.00 -0.16 2.02 -0.47 -2.44 112.91 113.40 2k2r h THR 24 Ca 0.11 -2.63 -0.11 0.00 0.77 0.00 0.00 66.41 64.54 2k2r h THR 24 Cb 0.42 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 2k2r h THR 24 CO -0.00 0.76 -0.54 -0.07 0.37 0.00 0.00 175.52 176.04 2k2r h LEU 25 N 0.05 0.00 -0.85 2.58 3.38 -0.64 -1.98 115.31 117.85 2k2r h LEU 25 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2k2r h LEU 25 Cb 1.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2k2r h LEU 25 CO 0.11 0.54 0.12 0.40 0.09 0.00 0.00 178.44 179.70 2k2r h ILE 26 N 0.00 1.25 -0.27 1.22 2.04 -0.64 -1.74 117.51 119.37 2k2r h ILE 26 Ca -0.01 -0.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 2k2r h ILE 26 Cb 1.01 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2k2r h ILE 26 CO 0.07 0.35 -0.14 0.74 0.00 0.00 0.00 178.15 179.17 2k2r h THR 27 N 0.92 1.23 0.37 -0.27 2.02 -0.92 -0.15 112.91 116.11 2k2r h THR 27 Ca 0.19 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 2k2r h THR 27 Cb 0.37 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2k2r h THR 27 CO 0.01 0.33 -0.34 0.15 0.37 0.00 0.00 175.52 176.04 2k2r h PHE 28 N 0.42 -0.90 -0.50 3.16 3.57 -0.77 -0.93 116.94 120.98 2k2r h PHE 28 Ca 0.08 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 2k2r h PHE 28 Cb 0.50 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2k2r h PHE 28 CO 0.02 -0.48 -0.01 0.28 -2.23 0.00 0.00 178.31 175.89 2k2r h VAL 29 N -0.72 1.26 -0.08 1.41 2.07 -1.40 -1.76 116.25 117.03 2k2r h VAL 29 Ca -0.03 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2k2r h VAL 29 Cb 0.64 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2k2r h VAL 29 CO -0.04 0.38 0.33 -1.13 0.02 0.00 0.00 177.57 177.13 2k2r h ASN 30 N 0.76 0.00 0.06 0.57 -0.73 -0.66 0.91 115.58 116.49 2k2r h ASN 30 Ca 0.14 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.31 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 -0.03 0.50 -0.37 0.00 0.00 177.43 177.56 2k2r h LYS 31 N 0.00 -0.08 0.00 6.67 3.64 -0.25 2.22 116.57 128.76 2k2r h LYS 31 Ca 0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2k2r h LYS 31 Cb 0.69 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2k2r h LYS 31 CO -0.00 0.21 -0.08 0.45 -2.27 0.00 0.00 179.45 177.76 2k2r h HIS 32 N -1.00 0.00 0.08 1.91 3.86 -1.07 -1.55 115.15 117.38 2k2r h HIS 32 Ca -0.01 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 2k2r h HIS 32 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2k2r h HIS 32 CO 0.07 0.08 -0.70 -0.07 0.86 0.00 0.00 177.93 178.17 2k2r h LEU 33 N 0.00 0.26 -1.79 2.43 3.38 0.81 -3.19 115.31 117.21 2k2r h LEU 33 Ca -0.00 -0.91 0.38 0.00 0.09 0.00 0.00 57.88 57.44 2k2r h LEU 33 Cb 0.17 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2k2r h LEU 33 CO 0.01 1.32 1.08 -1.13 0.09 0.00 0.00 178.44 179.80 2k2r h ASN 34 N -0.62 0.00 0.61 -0.43 -1.24 0.47 0.49 115.58 114.86 2k2r h ASN 34 Ca -0.15 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.84 2k2r h ASN 34 Cb 1.43 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.46 2k2r h ASN 34 CO 0.05 0.00 -0.50 0.11 -1.29 0.00 0.00 177.43 175.80 2k2r h LYS 35 N 0.00 -1.04 0.00 6.67 1.57 -1.42 0.88 116.57 123.23 2k2r h LYS 35 Ca 0.63 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 2k2r h LYS 35 Cb 2.77 0.24 0.00 0.00 0.08 0.00 0.00 32.23 35.32 2k2r h LYS 35 CO -0.01 -0.69 0.00 -0.11 -0.57 0.00 0.00 179.45 178.07 2k2r n LEU 36 N -5.59 0.00 -3.30 2.94 7.94 0.15 -4.84 117.00 114.30 2k2r n LEU 36 Ca -0.13 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.61 2k2r n LEU 36 Cb 0.48 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.44 2k2r n LEU 36 CO 0.30 0.00 0.00 -0.46 -1.11 0.00 0.00 177.39 176.12 2k2r n ASN 37 N -0.65 -6.59 0.00 1.96 6.94 0.31 -5.02 115.26 112.20 2k2r n ASN 37 Ca 0.04 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 2k2r n ASN 37 Cb 0.02 -3.64 0.00 0.00 -2.36 0.00 0.00 39.78 33.80 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 -1.42 0.00 -3.38 -4.53 4.77 -1.17 -4.94 117.00 106.34 2k2r n LEU 38 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.92 2k2r n LEU 38 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2k2r n LEU 38 CO 0.56 0.00 0.42 -0.70 -1.33 0.00 0.00 177.39 176.33 2k2r s GLU 39 N 1.49 0.41 0.31 3.23 2.12 -1.26 -4.56 118.70 120.44 2k2r s GLU 39 Ca 0.00 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.26 2k2r s GLU 39 Cb 0.00 0.54 -0.04 0.00 0.26 0.00 0.00 34.13 34.90 2k2r s GLU 39 CO 0.00 -0.25 0.51 0.54 -0.54 0.00 0.00 175.26 175.52 2k2r s VAL 40 N 2.73 5.12 0.00 3.70 0.11 -1.26 -5.01 120.40 125.79 2k2r s VAL 40 Ca 0.02 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 2k2r s VAL 40 Cb -0.10 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2k2r s VAL 40 CO -0.18 -0.47 0.00 0.41 -3.33 0.00 0.00 175.10 171.53 2k2r n THR 41 N -1.54 0.00 -3.54 5.04 -1.04 -1.26 -4.97 114.28 106.97 2k2r n THR 41 Ca -0.05 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 2k2r n THR 41 Cb 0.56 0.14 -0.12 0.00 -1.82 0.00 0.00 70.33 69.09 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 -0.28 0.79 0.19 -2.82 2.02 -1.26 -4.96 118.70 112.37 2k2r s GLU 42 Ca 0.00 -1.57 -0.12 0.00 0.02 0.00 0.00 54.97 53.30 2k2r s GLU 42 Cb 0.00 -1.62 0.19 0.00 0.10 0.00 0.00 34.13 32.79 2k2r s GLU 42 CO 0.00 -1.20 1.77 1.25 0.02 0.00 0.00 175.26 177.10 2k2r h LEU 43 N 6.87 0.33 -0.46 1.80 7.12 -1.94 -1.08 115.31 127.95 2k2r h LEU 43 Ca 0.05 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.15 2k2r h LEU 43 Cb 0.95 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 41.00 2k2r h LEU 43 CO 0.33 0.22 -0.42 -0.33 -0.13 0.00 0.00 178.44 178.11 2k2r h GLU 44 N 0.48 -0.18 0.00 1.25 5.08 -1.89 0.14 114.58 119.45 2k2r h GLU 44 Ca 0.25 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2k2r h GLU 44 Cb 0.22 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k2r h GLU 44 CO -0.21 -0.12 0.00 -2.37 -1.00 0.00 0.00 179.01 175.31 2k2r n THR 45 N -4.67 0.02 0.47 1.13 5.66 -1.05 -2.85 114.28 112.98 2k2r n THR 45 Ca -0.01 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.12 2k2r n THR 45 Cb 0.23 -0.55 0.42 0.00 -1.55 0.00 0.00 70.33 68.88 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2k2r h GLN 46 N 0.00 0.00 0.00 1.09 1.08 0.62 -1.83 115.11 116.07 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 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2k2r h GLN 46 CO 0.00 0.00 -1.27 1.19 -0.95 0.00 0.00 178.83 177.80 2k2r n PHE 47 N -2.47 0.27 0.54 2.96 3.01 -1.13 -2.81 117.46 117.83 2k2r n PHE 47 Ca 0.04 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2k2r n PHE 47 Cb 0.38 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 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 -1.96 2.03 -0.18 4.37 0.00 -0.69 -2.15 120.51 121.93 2k2r n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k2r n ALA 48 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.70 0.00 -0.00 0.00 5.68 -1.25 -4.97 116.55 116.70 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 0.26 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.24 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 0.00 0.00 0.11 6.12 0.00 -0.92 -4.71 105.19 105.80 2k2r n GLY 50 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.90 -2.93 116.25 115.11 2k2r h VAL 51 Ca -0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2k2r h VAL 51 Cb 0.36 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2k2r h VAL 51 CO 0.00 0.00 0.15 -1.22 0.02 0.00 0.00 177.57 176.52 2k2r n TYR 52 N -4.27 0.56 0.12 1.57 4.02 -1.26 -1.86 117.16 116.03 2k2r n TYR 52 Ca -0.03 0.29 -0.06 0.00 -0.01 0.00 0.00 57.90 58.10 2k2r n TYR 52 Cb 0.08 -0.87 -0.03 0.00 -0.02 0.00 0.00 39.34 38.51 2k2r n TYR 52 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2k2r h LEU 53 N 0.00 -0.32 -2.02 7.72 4.07 -1.78 -1.81 115.31 121.18 2k2r h LEU 53 Ca 0.00 0.01 0.14 0.00 0.08 0.00 0.00 57.88 58.11 2k2r h LEU 53 Cb 0.30 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 2k2r h LEU 53 CO 0.00 0.10 0.38 0.58 -1.08 0.00 0.00 178.44 178.42 2k2r h VAL 54 N -1.04 0.64 0.55 1.22 2.07 -1.18 -1.93 116.25 116.57 2k2r h VAL 54 Ca -0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2k2r h VAL 54 Cb 0.29 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2k2r h VAL 54 CO 0.06 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 177.32 2k2r h LEU 55 N 0.00 -0.62 -1.57 2.57 -0.00 -1.47 -2.86 115.31 111.37 2k2r h LEU 55 Ca 0.23 0.02 0.30 0.00 -0.00 0.00 0.00 57.88 58.43 2k2r h LEU 55 Cb 0.99 0.16 -0.08 0.00 -0.00 0.00 0.00 40.66 41.73 2k2r h LEU 55 CO -0.00 -0.22 0.74 0.17 -0.00 0.00 0.00 178.44 179.12 2k2r h LEU 56 N -1.19 0.29 0.26 1.67 8.10 -0.71 0.38 115.31 124.12 2k2r h LEU 56 Ca -0.08 0.06 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 2k2r h LEU 56 Cb 0.56 0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 2k2r h LEU 56 CO 0.12 0.04 -0.13 0.24 -4.11 0.00 0.00 178.44 174.61 2k2r h MET 57 N 0.25 -0.34 -0.58 0.17 2.86 -1.25 -1.08 114.93 114.96 2k2r h MET 57 Ca 0.60 0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 58.19 2k2r h MET 57 Cb 1.81 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.52 2k2r h MET 57 CO -0.21 -0.23 0.10 0.78 1.06 0.00 0.00 176.91 178.40 2k2r h GLY 58 N -0.35 1.03 2.00 8.32 0.00 -0.73 -1.42 103.07 111.91 2k2r h GLY 58 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2k2r h GLY 58 CO 0.06 0.63 0.00 1.41 0.00 0.00 0.00 176.54 178.64 2k2r h LEU 59 N 0.85 0.00 0.26 3.11 3.38 -1.19 0.25 115.31 121.98 2k2r h LEU 59 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2k2r h LEU 59 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k2r h LEU 59 CO 0.01 0.00 -0.12 0.25 0.09 0.00 0.00 178.44 178.67 2k2r h LEU 60 N 0.00 -0.29 -0.28 1.67 6.46 -0.08 -3.07 115.31 119.72 2k2r h LEU 60 Ca 0.00 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2k2r h LEU 60 Cb 0.19 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2k2r h LEU 60 CO 0.00 0.21 0.00 -0.62 -0.62 0.00 0.00 178.44 177.41 2k2r n GLU 61 N -5.00 0.08 -1.04 1.25 1.02 -0.94 -4.90 120.64 111.11 2k2r n GLU 61 Ca -0.07 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2k2r n GLU 61 Cb 0.22 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2k2r n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k2r n GLY 62 N -0.00 -0.13 3.58 0.62 0.00 0.76 -5.11 105.19 104.92 2k2r n GLY 62 Ca 0.03 -0.32 -0.07 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 -1.55 -0.26 -0.33 1.61 5.04 -0.45 -4.97 117.35 116.45 2k2r s TYR 63 Ca 0.00 0.35 -0.19 0.00 -2.44 0.00 0.00 57.07 54.79 2k2r s TYR 63 Cb 0.00 0.48 -0.01 0.00 0.35 0.00 0.00 41.96 42.79 2k2r s TYR 63 CO 0.00 -0.29 0.56 0.12 -1.34 0.00 0.00 175.55 174.60 2k2r s PHE 64 N -1.65 3.19 -0.06 4.97 5.36 -1.26 -3.52 117.98 125.01 2k2r s PHE 64 Ca 0.03 0.38 -0.30 0.00 -0.96 0.00 0.00 56.93 56.08 2k2r s PHE 64 Cb -0.01 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.70 2k2r s PHE 64 CO -0.03 -0.50 1.08 0.08 -1.46 0.00 0.00 175.22 174.39 2k2r s VAL 65 N 2.49 4.58 1.14 3.12 1.01 -1.26 -5.02 120.40 126.46 2k2r s VAL 65 Ca 0.22 1.86 -0.17 0.00 0.00 0.00 0.00 61.98 63.89 2k2r s VAL 65 Cb -0.15 -4.20 0.27 0.00 0.00 0.00 0.00 36.38 32.30 2k2r s VAL 65 CO 0.13 0.04 0.61 -2.65 0.00 0.00 0.00 175.10 173.22 2k2r n PRO 66 N 4.81 -3.18 -0.07 2.72 -0.02 -1.26 -4.95 135.00 133.05 2k2r n PRO 66 Ca 0.09 -1.03 -0.10 0.00 -2.02 0.00 0.00 63.50 60.44 2k2r n PRO 66 Cb 0.48 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 2k2r n PRO 66 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k2r h LEU 67 N 0.00 0.00 -2.79 2.45 5.85 -2.02 -3.34 115.31 115.45 2k2r h LEU 67 Ca -0.28 -0.49 -0.19 0.00 0.84 0.00 0.00 57.88 57.76 2k2r h LEU 67 Cb 0.94 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.85 2k2r h LEU 67 CO 0.17 0.90 0.24 0.00 -0.34 0.00 0.00 178.44 179.41 2k2r n HIS 68 N -4.63 1.37 0.05 1.25 1.44 -1.26 -4.19 115.22 109.24 2k2r n HIS 68 Ca -0.10 -0.97 -0.08 0.00 -2.01 0.00 0.00 57.72 54.56 2k2r n HIS 68 Cb 0.34 -0.52 0.07 0.00 0.12 0.00 0.00 29.99 30.00 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k2r h SER 69 N 0.81 0.45 0.00 4.39 0.87 -1.93 -3.44 113.55 114.70 2k2r h SER 69 Ca 0.24 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2k2r h SER 69 Cb 1.75 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 2k2r h SER 69 CO 0.47 0.96 0.00 2.22 -0.53 0.00 0.00 176.83 179.95 2k2r n PHE 70 N -3.89 0.00 -3.88 2.24 1.16 -1.26 -4.99 117.46 106.84 2k2r n PHE 70 Ca -0.03 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.27 2k2r n PHE 70 Cb 0.64 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.39 2k2r n PHE 70 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 2k2r n PHE 71 N 0.00 3.29 -0.74 2.97 3.72 -1.26 -5.08 117.46 120.36 2k2r n PHE 71 Ca 0.00 -4.31 0.00 0.00 -0.05 0.00 0.00 57.45 53.09 2k2r n PHE 71 Cb 0.00 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2k2r n LEU 72 N 1.91 0.00 -4.54 4.37 7.99 -1.26 -4.62 117.00 120.85 2k2r n LEU 72 Ca 0.20 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.90 2k2r n LEU 72 Cb 0.35 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.55 2k2r n LEU 72 CO 0.27 -0.01 -0.44 0.28 -1.51 0.00 0.00 177.39 175.99 2k2r s THR 73 N 0.00 3.24 0.21 -5.08 -1.32 -1.26 -4.98 115.64 106.46 2k2r s THR 73 Ca 0.00 -1.11 -0.32 0.00 -1.21 0.00 0.00 61.69 59.06 2k2r s THR 73 Cb 0.00 -2.44 -0.15 0.00 -1.51 0.00 0.00 72.50 68.40 2k2r s THR 73 CO 0.00 0.27 1.22 -2.65 -2.21 0.00 0.00 174.62 171.25 2k2r n PRO 74 N 1.23 1.47 -0.01 7.08 -0.02 -1.26 -4.90 135.00 138.58 2k2r n PRO 74 Ca -0.15 0.52 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 2k2r n PRO 74 Cb 0.52 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.94 2.05 -0.74 2.55 2.03 -1.26 -5.06 116.55 118.05 2k2r n ASP 75 Ca 0.13 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2k2r n ASP 75 Cb 0.28 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -2.85 0.47 0.12 1.67 3.41 -1.26 -5.05 113.62 110.14 2k2r n SER 76 Ca -0.05 -0.60 -0.10 0.00 -0.26 0.00 0.00 58.87 57.86 2k2r n SER 76 Cb 0.55 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.91 7.33 3.57 -1.99 -2.99 116.94 122.18 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 -0.06 0.32 1.49 -2.23 0.00 0.00 178.31 177.83 2k2r h GLU 78 N -1.00 0.25 -0.39 1.11 4.81 -1.98 0.84 114.58 118.21 2k2r h GLU 78 Ca -0.04 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2k2r h GLU 78 Cb 0.46 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2k2r h GLU 78 CO 0.07 0.16 -0.00 -0.56 -0.73 0.00 0.00 179.01 177.95 2k2r h GLN 79 N 0.26 0.63 0.28 1.92 -0.00 -1.97 -1.85 115.11 114.37 2k2r h GLN 79 Ca 0.59 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.65 59.08 2k2r h GLN 79 Cb 1.22 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2k2r h GLN 79 CO -0.63 0.65 -0.13 0.87 -0.00 0.00 0.00 178.83 179.58 2k2r h LYS 80 N 0.59 -0.36 -1.00 0.06 1.57 0.73 -0.59 116.57 117.57 2k2r h LYS 80 Ca 0.12 0.02 0.29 0.00 -1.87 0.00 0.00 60.65 59.22 2k2r h LYS 80 Cb 0.38 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 2k2r h LYS 80 CO 0.01 -0.04 0.72 0.28 -0.57 0.00 0.00 179.45 179.85 2k2r h VAL 81 N -0.73 0.50 0.18 0.50 2.07 -0.67 0.22 116.25 118.33 2k2r h VAL 81 Ca -0.04 -0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.18 2k2r h VAL 81 Cb 0.49 0.49 0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2k2r h VAL 81 CO 0.06 0.00 -1.41 0.25 0.02 0.00 0.00 177.57 176.49 2k2r h LEU 82 N 0.01 0.61 -1.80 2.57 5.85 -1.05 -1.08 115.31 120.42 2k2r h LEU 82 Ca 0.48 -0.92 0.08 0.00 0.84 0.00 0.00 57.88 58.36 2k2r h LEU 82 Cb 1.90 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.71 2k2r h LEU 82 CO -0.01 1.65 0.29 -1.13 -0.34 0.00 0.00 178.44 178.90 2k2r h ASN 83 N -0.07 0.21 0.44 1.25 -0.73 0.63 -0.17 115.58 117.14 2k2r h ASN 83 Ca -0.27 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.60 2k2r h ASN 83 Cb 1.96 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 40.49 2k2r h ASN 83 CO 0.18 0.13 -1.61 0.58 -0.37 0.00 0.00 177.43 176.34 2k2r h VAL 84 N 0.23 1.04 0.00 2.57 2.07 -1.29 -2.90 116.25 117.97 2k2r h VAL 84 Ca 0.19 -2.74 -0.02 0.00 0.82 0.00 0.00 66.70 64.96 2k2r h VAL 84 Cb 0.46 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2k2r h VAL 84 CO -0.04 0.77 -0.08 0.77 0.02 0.00 0.00 177.57 179.01 2k2r h SER 85 N 0.05 0.00 0.18 0.57 4.64 -0.23 0.05 113.55 118.80 2k2r h SER 85 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2k2r h SER 85 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 2k2r h SER 85 CO 0.13 0.08 -0.08 0.15 -0.87 0.00 0.00 176.83 176.24 2k2r h PHE 86 N 0.00 -0.22 -0.61 4.77 3.57 -1.09 -0.46 116.94 122.90 2k2r h PHE 86 Ca -0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.64 2k2r h PHE 86 Cb 0.20 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 2k2r h PHE 86 CO 0.00 0.07 0.42 0.00 -2.23 0.00 0.00 178.31 176.58 2k2r h ALA 87 N -0.72 2.28 0.00 2.41 0.00 -1.28 1.56 119.26 123.51 2k2r h ALA 87 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k2r h ALA 87 Cb 0.39 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k2r h ALA 87 CO 0.04 -0.45 -0.06 0.35 0.00 0.00 0.00 179.25 179.13 2k2r h PHE 88 N 0.21 0.00 0.06 0.00 3.04 -0.95 -1.83 116.94 117.47 2k2r h PHE 88 Ca 0.29 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 62.13 2k2r h PHE 88 Cb 0.87 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.39 2k2r h PHE 88 CO -0.00 0.06 -0.50 0.93 -2.02 0.00 0.00 178.31 176.78 2k2r h GLU 89 N 0.00 0.24 0.00 1.11 4.39 0.39 -0.15 114.58 120.57 2k2r h GLU 89 Ca -0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2k2r h GLU 89 Cb 0.77 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2k2r h GLU 89 CO 0.01 1.10 0.00 -0.07 -1.16 0.00 0.00 179.01 178.89 2k2r h LEU 90 N -0.46 0.00 0.00 1.33 3.38 -1.14 -2.28 115.31 116.13 2k2r h LEU 90 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2k2r h LEU 90 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2k2r h LEU 90 CO 0.10 0.00 -0.31 0.24 0.09 0.00 0.00 178.44 178.55 2k2r h MET 91 N 0.00 0.00 -0.85 1.13 2.86 -1.22 0.35 114.93 117.19 2k2r h MET 91 Ca 0.00 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.89 2k2r h MET 91 Cb 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2k2r h MET 91 CO 0.00 0.77 0.70 0.37 1.06 0.00 0.00 176.91 179.81 2k2r h GLN 92 N -1.00 0.00 0.00 1.72 5.75 -0.81 0.67 115.11 121.43 2k2r h GLN 92 Ca -0.08 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.33 2k2r h GLN 92 Cb 0.87 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2k2r h GLN 92 CO -0.05 0.00 -0.75 0.22 -2.65 0.00 0.00 178.83 175.60 2k2r h ASP 93 N 0.00 0.00 0.00 -0.69 1.82 -1.43 -3.30 116.42 112.81 2k2r h ASP 93 Ca 0.40 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 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 1.05 0.00 0.61 -1.61 0.00 0.00 179.24 179.29 2k2r n GLY 94 N 1.55 -0.02 0.00 -0.78 0.00 0.12 -4.87 105.19 101.20 2k2r n GLY 94 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.99 0.53 5.24 -0.02 0.00 0.22 -5.00 105.19 105.17 2k2r n GLY 95 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.23 -3.83 117.00 120.86 2k2r n LEU 96 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 2k2r n LEU 96 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 2k2r n LEU 96 CO 0.00 0.00 -0.06 -0.62 -1.11 0.00 0.00 177.39 175.60 2k2r n GLU 97 N 0.00 -0.61 -3.77 1.96 1.02 -1.26 -4.84 120.64 113.14 2k2r n GLU 97 Ca 0.00 0.40 -0.27 0.00 -0.02 0.00 0.00 57.16 57.27 2k2r n GLU 97 Cb 0.00 -0.74 0.01 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.59 -1.24 -1.25 3.49 5.02 -1.26 -4.91 118.16 116.42 2k2r n LYS 98 Ca 0.00 0.67 -0.30 0.00 -2.02 0.00 0.00 58.31 56.67 2k2r n LYS 98 Cb 0.14 -2.80 0.12 0.00 -0.02 0.00 0.00 35.03 32.47 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 -5.32 1.57 0.05 1.97 0.04 -1.26 -4.99 135.00 127.07 2k2r s PRO 99 Ca 0.13 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2k2r s PRO 99 Cb -0.07 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2k2r s PRO 99 CO 0.89 -2.04 0.00 1.17 0.04 0.00 0.00 177.00 177.06 2k2r n LYS 100 N -3.76 0.00 0.00 4.56 4.81 -1.26 -5.12 118.16 117.39 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 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 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 -2.65 2.57 -3.93 1.64 -0.04 -1.26 -5.13 135.00 126.21 2k2r n PRO 101 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2k2r n PRO 101 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 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 1.78 0.31 0.62 0.54 0.52 -1.26 -4.98 118.95 116.46 2k2r s ARG 102 Ca 0.00 -0.43 0.22 0.00 -0.52 0.00 0.00 55.73 55.00 2k2r s ARG 102 Cb 0.00 0.12 0.80 0.00 0.52 0.00 0.00 34.95 36.38 2k2r s ARG 102 CO 0.00 -0.06 1.29 -1.35 0.02 0.00 0.00 175.30 175.20 2k2r h PRO 103 N 4.82 0.00 0.06 3.54 0.11 -1.91 0.81 132.00 139.43 2k2r h PRO 103 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 2k2r h PRO 103 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k2r h PRO 103 CO 0.42 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.11 2k2r h GLU 104 N 0.00 -0.07 -1.05 1.05 5.08 -1.94 -2.78 114.58 114.87 2k2r h GLU 104 Ca 0.39 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 59.06 2k2r h GLU 104 Cb 2.66 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.88 2k2r h GLU 104 CO -0.00 0.15 1.12 -0.44 -1.00 0.00 0.00 179.01 178.84 2k2r h ASP 105 N -1.01 0.00 0.00 1.42 5.19 0.26 1.02 116.42 123.30 2k2r h ASP 105 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2k2r h ASP 105 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2k2r h ASP 105 CO 0.01 0.00 -0.03 0.40 -3.12 0.00 0.00 179.24 176.50 2k2r h ILE 106 N 0.00 0.00 -1.49 0.35 1.08 -1.48 -3.32 117.51 112.65 2k2r h ILE 106 Ca 0.50 -0.17 0.45 0.00 -0.39 0.00 0.00 64.86 65.24 2k2r h ILE 106 Cb 2.73 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 36.40 2k2r h ILE 106 CO -0.01 0.00 1.04 0.58 -0.69 0.00 0.00 178.15 179.07 2k2r h VAL 107 N -0.17 0.19 0.00 1.67 2.07 -0.71 0.46 116.25 119.75 2k2r h VAL 107 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k2r h VAL 107 Cb 0.03 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2k2r h VAL 107 CO 0.00 0.01 0.00 -3.20 0.02 0.00 0.00 177.57 174.40 2k2r n ASN 108 N -4.30 0.00 0.00 0.57 2.85 0.33 -4.42 115.26 110.30 2k2r n ASN 108 Ca 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 2k2r n ASN 108 Cb 1.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.57 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r n ASP 110 N 0.00 -0.45 -0.12 0.00 5.68 -1.26 -4.64 116.55 115.76 2k2r n ASP 110 Ca 0.00 0.47 -0.26 0.00 -0.50 0.00 0.00 54.79 54.50 2k2r n ASP 110 Cb 0.00 -1.36 -0.11 0.00 -1.14 0.00 0.00 41.12 38.51 2k2r n ASP 110 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2k2r n LEU 111 N -2.39 2.02 0.00 -2.12 4.32 -1.26 -4.30 117.00 113.26 2k2r n LEU 111 Ca 0.11 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 2k2r n LEU 111 Cb 0.52 -0.88 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 2k2r n LEU 111 CO 0.49 0.52 0.19 1.17 -1.22 0.00 0.00 177.39 178.54 2k2r n LYS 112 N -4.21 0.00 0.12 3.23 4.81 -1.26 -0.40 118.16 120.44 2k2r n LYS 112 Ca -0.46 0.38 -0.15 0.00 -0.87 0.00 0.00 58.31 57.21 2k2r n LYS 112 Cb 0.84 -0.71 -0.08 0.00 0.02 0.00 0.00 35.03 35.10 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 -1.29 -1.00 3.14 4.64 -1.85 -1.48 113.55 115.71 2k2r h SER 113 Ca 0.00 0.14 0.39 0.00 -0.47 0.00 0.00 61.79 61.85 2k2r h SER 113 Cb 0.00 0.48 -0.17 0.00 -0.31 0.00 0.00 62.40 62.40 2k2r h SER 113 CO 0.00 -0.50 0.55 0.00 -0.87 0.00 0.00 176.83 176.01 2k2r h THR 114 N -0.67 0.09 -0.21 2.95 1.03 -1.62 0.81 112.91 115.29 2k2r h THR 114 Ca 0.02 -0.03 -0.03 0.00 -0.01 0.00 0.00 66.41 66.35 2k2r h THR 114 Cb 0.70 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 67.75 2k2r h THR 114 CO -0.25 0.02 0.01 -0.07 -0.01 0.00 0.00 175.52 175.22 2k2r h LEU 115 N 0.10 0.36 -0.54 0.00 3.38 0.37 -0.74 115.31 118.23 2k2r h LEU 115 Ca 0.82 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.58 2k2r h LEU 115 Cb 2.09 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 42.64 2k2r h LEU 115 CO -0.72 0.56 -0.41 0.03 0.09 0.00 0.00 178.44 178.00 2k2r h ARG 116 N 0.14 -0.23 0.12 1.13 -0.00 0.87 -0.43 114.38 115.98 2k2r h ARG 116 Ca 0.06 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.55 2k2r h ARG 116 Cb 0.38 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.40 2k2r h ARG 116 CO 0.01 -0.15 -0.06 0.28 0.00 0.00 0.00 179.97 180.05 2k2r h VAL 117 N -0.24 1.06 -0.98 2.04 2.07 -1.41 -2.71 116.25 116.08 2k2r h VAL 117 Ca 0.18 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2k2r h VAL 117 Cb 0.56 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 2k2r h VAL 117 CO -0.66 0.18 0.62 -0.07 0.02 0.00 0.00 177.57 177.66 2k2r h LEU 118 N -0.52 0.93 0.26 2.57 -0.00 -0.86 -1.01 115.31 116.68 2k2r h LEU 118 Ca -0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2k2r h LEU 118 Cb 0.42 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 2k2r h LEU 118 CO 0.03 0.53 -0.16 0.22 -0.00 0.00 0.00 178.44 179.05 2k2r h TYR 119 N 1.03 -0.42 -1.09 1.13 3.20 -1.07 -0.99 116.97 118.75 2k2r h TYR 119 Ca 0.47 -0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.69 2k2r h TYR 119 Cb 0.38 0.15 -0.14 0.00 1.54 0.00 0.00 36.73 38.66 2k2r h TYR 119 CO -0.01 -0.25 0.65 -0.97 -1.64 0.00 0.00 178.16 175.94 2k2r h ASN 120 N -0.41 0.41 0.12 -2.11 -0.73 -0.86 -0.61 115.58 111.39 2k2r h ASN 120 Ca -0.03 0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 2k2r h ASN 120 Cb 0.34 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.07 2k2r h ASN 120 CO 0.03 -0.17 -0.06 -0.07 -0.37 0.00 0.00 177.43 176.79 2k2r h LEU 121 N 0.22 -0.14 -1.62 0.34 4.07 -0.70 -2.97 115.31 114.51 2k2r h LEU 121 Ca 0.76 0.00 0.45 0.00 0.08 0.00 0.00 57.88 59.17 2k2r h LEU 121 Cb 1.98 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 43.70 2k2r h LEU 121 CO -0.55 0.10 1.30 0.15 -1.08 0.00 0.00 178.44 178.37 2k2r h PHE 122 N -0.57 0.00 0.14 1.13 3.57 -0.48 0.80 116.94 121.54 2k2r h PHE 122 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k2r h PHE 122 Cb 0.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2k2r h PHE 122 CO 0.02 0.00 -0.07 1.15 -2.23 0.00 0.00 178.31 177.19 2k2r h THR 123 N 0.00 0.97 0.00 4.41 2.02 -1.15 -1.15 112.91 118.00 2k2r h THR 123 Ca 0.73 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2k2r h THR 123 Cb 3.32 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 71.32 2k2r h THR 123 CO -0.01 0.24 0.00 0.11 0.37 0.00 0.00 175.52 176.23 2k2r h LYS 124 N -0.78 0.00 0.00 6.66 1.57 0.67 -3.31 116.57 121.37 2k2r h LYS 124 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 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 0.03 0.00 -1.12 0.66 -0.57 0.00 0.00 179.45 178.45 2k2r n TYR 125 N -2.77 0.00 -0.49 -1.35 4.02 0.07 -4.50 117.16 112.14 2k2r n TYR 125 Ca 0.04 0.00 0.43 0.00 -0.01 0.00 0.00 57.90 58.36 2k2r n TYR 125 Cb 0.47 -0.15 0.77 0.00 -0.02 0.00 0.00 39.34 40.41 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 0.00 0.00 -0.72 2.43 -1.30 2.31 114.38 117.11 2k2r h ARG 126 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2k2r h ARG 126 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k2r h ARG 126 CO 0.00 0.00 -0.83 -0.91 -1.51 0.00 0.00 179.97 176.72 2k2r h ASN 127 N 0.00 0.00 -2.91 -3.80 2.35 -1.82 -3.45 115.58 105.95 2k2r h ASN 127 Ca 0.73 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.86 2k2r h ASN 127 Cb 2.99 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 41.30 2k2r h ASN 127 CO -0.01 0.16 -0.33 -0.69 -1.65 0.00 0.00 177.43 174.91 2k2r s VAL 128 N -3.21 5.24 -2.00 2.81 1.01 0.78 -5.23 120.40 119.80 2k2r s VAL 128 Ca 0.01 0.40 0.13 0.00 0.00 0.00 0.00 61.98 62.52 2k2r s VAL 128 Cb 0.08 -3.58 0.37 0.00 0.00 0.00 0.00 36.38 33.25 2k2r s VAL 128 CO 0.77 0.46 1.21 -0.62 0.00 0.00 0.00 175.10 176.92