#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r n HIS 2 N 0.00 0.61 -3.13 -1.55 -0.00 -1.26 -4.85 115.22 105.04 2k2r n HIS 2 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 2k2r n HIS 2 Cb 0.00 -1.62 -0.06 0.00 -0.12 0.00 0.00 29.99 28.19 2k2r n HIS 2 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2k2r s GLU 3 N 8.01 4.16 -0.17 1.57 2.56 -1.26 -5.04 118.70 128.53 2k2r s GLU 3 Ca 1.13 0.56 -0.22 0.00 0.00 0.00 0.00 54.97 56.44 2k2r s GLU 3 Cb -0.50 -3.61 -0.02 0.00 2.00 0.00 0.00 34.13 31.99 2k2r s GLU 3 CO 0.33 -0.31 0.67 0.50 -0.56 0.00 0.00 175.26 175.89 2k2r s ARG 4 N 2.16 4.26 0.00 4.30 3.00 -1.26 -4.99 118.95 126.42 2k2r s ARG 4 Ca 0.27 0.72 0.00 0.00 -1.00 0.00 0.00 55.73 55.72 2k2r s ARG 4 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 34.95 31.24 2k2r s ARG 4 CO 0.09 -0.21 0.00 -3.47 0.00 0.00 0.00 175.30 171.72 2k2r n ASP 5 N 4.88 0.00 -0.07 -2.12 2.03 -1.26 -5.02 116.55 115.00 2k2r n ASP 5 Ca -0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.23 2k2r n ASP 5 Cb 0.50 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 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 -1.48 -1.67 0.00 -2.00 -3.32 119.26 111.81 2k2r h ALA 6 Ca 0.00 -0.37 0.44 0.00 0.00 0.00 0.00 54.91 54.98 2k2r h ALA 6 Cb 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 2k2r h ALA 6 CO 0.00 0.16 1.04 0.74 0.00 0.00 0.00 179.25 181.19 2k2r h PHE 7 N -1.00 0.16 0.16 0.00 0.04 -1.97 0.51 116.94 114.85 2k2r h PHE 7 Ca -0.04 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2k2r h PHE 7 Cb 0.52 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 2k2r h PHE 7 CO 0.06 -0.04 -0.13 0.22 -0.60 0.00 0.00 178.31 177.82 2k2r h ASP 8 N 0.05 -0.33 1.61 2.17 3.58 -1.95 -1.40 116.42 120.14 2k2r h ASP 8 Ca 0.75 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 58.19 2k2r h ASP 8 Cb 2.81 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 43.95 2k2r h ASP 8 CO -0.12 -0.18 -0.16 0.74 -2.88 0.00 0.00 179.24 176.64 2k2r h THR 9 N -0.28 0.30 -0.24 2.25 2.02 -1.28 -2.13 112.91 113.55 2k2r h THR 9 Ca -0.02 -1.28 -0.18 0.00 0.77 0.00 0.00 66.41 65.71 2k2r h THR 9 Cb 0.23 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2k2r h THR 9 CO 0.00 0.16 -0.56 -0.07 0.37 0.00 0.00 175.52 175.43 2k2r h LEU 10 N 0.00 0.82 0.00 2.58 4.07 -0.01 0.91 115.31 123.68 2k2r h LEU 10 Ca -0.00 -0.44 -0.23 0.00 0.08 0.00 0.00 57.88 57.28 2k2r h LEU 10 Cb 1.01 -0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.48 2k2r h LEU 10 CO 0.02 1.21 -1.24 -0.26 -1.08 0.00 0.00 178.44 177.09 2k2r h PHE 11 N 0.56 0.00 0.00 1.13 0.04 -1.28 0.42 116.94 117.81 2k2r h PHE 11 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2k2r h PHE 11 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2k2r h PHE 11 CO 0.06 0.96 -0.59 -0.25 -0.60 0.00 0.00 178.31 177.89 2k2r n ASP 12 N -3.22 0.63 -0.22 2.17 8.00 -0.80 -4.32 116.55 118.80 2k2r n ASP 12 Ca -0.06 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2k2r n ASP 12 Cb 0.96 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 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 -1.96 0.00 -2.69 1.24 -0.00 0.32 -4.97 115.22 107.15 2k2r n HIS 13 Ca 0.04 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.16 2k2r n HIS 13 Cb 0.41 -0.01 0.08 0.00 -0.12 0.00 0.00 29.99 30.35 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k2r n ALA 14 N 0.00 -2.69 0.40 1.57 0.00 0.15 -4.90 120.51 115.04 2k2r n ALA 14 Ca 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.85 2k2r n ALA 14 Cb 0.58 -2.54 0.49 0.00 0.00 0.00 0.00 19.45 17.98 2k2r n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k2r n PRO 15 N 1.28 0.19 -0.03 0.00 -0.05 -1.13 -2.88 135.00 132.38 2k2r n PRO 15 Ca 0.03 0.42 -0.21 0.00 -0.05 0.00 0.00 63.50 63.69 2k2r n PRO 15 Cb 0.69 -1.86 -0.13 0.00 -0.05 0.00 0.00 33.50 32.15 2k2r n PRO 15 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 2k2r h ASP 16 N 0.00 0.23 -0.92 3.54 3.32 -1.93 -3.31 116.42 117.35 2k2r h ASP 16 Ca 0.00 -0.78 -0.00 0.00 0.02 0.00 0.00 57.03 56.27 2k2r h ASP 16 Cb 0.36 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2k2r h ASP 16 CO 0.00 1.54 0.56 0.11 -1.72 0.00 0.00 179.24 179.73 2k2r h LYS 17 N -0.55 1.25 -0.92 3.56 1.57 -1.90 -1.18 116.57 118.41 2k2r h LYS 17 Ca -0.30 -0.11 0.13 0.00 -1.87 0.00 0.00 60.65 58.50 2k2r h LYS 17 Cb 1.57 -0.26 -0.07 0.00 0.08 0.00 0.00 32.23 33.55 2k2r h LYS 17 CO -0.02 0.87 0.59 -0.07 -0.57 0.00 0.00 179.45 180.24 2k2r h LEU 18 N 1.27 0.76 0.27 2.94 3.38 -1.67 0.26 115.31 122.51 2k2r h LEU 18 Ca 0.33 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2k2r h LEU 18 Cb -0.07 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2k2r h LEU 18 CO -0.06 0.40 -0.13 -1.13 0.09 0.00 0.00 178.44 177.61 2k2r h ASN 19 N 0.81 -0.30 -0.38 -0.43 -1.24 -1.30 -0.69 115.58 112.05 2k2r h ASN 19 Ca 0.45 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.43 2k2r h ASN 19 Cb 0.59 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 2k2r h ASN 19 CO -0.21 -0.18 0.18 0.58 -1.29 0.00 0.00 177.43 176.51 2k2r h VAL 20 N -0.39 1.15 -0.20 2.57 2.07 -1.02 -1.32 116.25 119.11 2k2r h VAL 20 Ca -0.04 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 2k2r h VAL 20 Cb 0.30 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2k2r h VAL 20 CO 0.06 0.18 -0.11 0.58 0.02 0.00 0.00 177.57 178.30 2k2r h VAL 21 N 0.59 1.19 -0.57 2.57 2.07 0.11 -1.07 116.25 121.14 2k2r h VAL 21 Ca 0.15 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2k2r h VAL 21 Cb 0.09 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2k2r h VAL 21 CO -0.02 0.26 0.16 0.50 0.02 0.00 0.00 177.57 178.50 2k2r h LYS 22 N 0.31 0.89 0.00 1.57 3.64 0.02 -1.14 116.57 121.86 2k2r h LYS 22 Ca 0.06 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 2k2r h LYS 22 Cb 0.38 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2k2r h LYS 22 CO 0.02 0.82 -0.03 0.87 -2.27 0.00 0.00 179.45 178.86 2k2r h LYS 23 N 0.80 0.00 0.00 1.90 1.57 -0.92 0.12 116.57 120.05 2k2r h LYS 23 Ca 0.18 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 2k2r h LYS 23 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2k2r h LYS 23 CO -0.00 0.03 -0.87 1.15 -0.57 0.00 0.00 179.45 179.18 2k2r h THR 24 N 0.00 1.61 0.00 -0.16 2.02 -0.44 -2.34 112.91 113.60 2k2r h THR 24 Ca -0.00 -2.93 -0.14 0.00 0.77 0.00 0.00 66.41 64.11 2k2r h THR 24 Cb 0.08 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2k2r h THR 24 CO 0.00 0.84 -0.67 -0.07 0.37 0.00 0.00 175.52 175.99 2k2r h LEU 25 N 0.01 0.00 -1.22 2.58 3.38 -0.52 -2.21 115.31 117.34 2k2r h LEU 25 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2k2r h LEU 25 Cb 1.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 2k2r h LEU 25 CO 0.12 0.67 -0.03 0.40 0.09 0.00 0.00 178.44 179.69 2k2r h ILE 26 N 0.00 1.20 -0.42 1.22 2.04 -0.68 -1.99 117.51 118.88 2k2r h ILE 26 Ca -0.01 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 2k2r h ILE 26 Cb 1.21 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2k2r h ILE 26 CO 0.09 0.27 -0.01 0.74 0.00 0.00 0.00 178.15 179.24 2k2r h THR 27 N 0.48 1.26 -0.29 -0.27 2.02 -0.89 -0.18 112.91 115.05 2k2r h THR 27 Ca 0.10 -1.05 0.07 0.00 0.77 0.00 0.00 66.41 66.30 2k2r h THR 27 Cb 0.35 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 2k2r h THR 27 CO 0.01 0.36 -0.20 0.15 0.37 0.00 0.00 175.52 176.21 2k2r h PHE 28 N 0.58 -0.52 -0.44 3.16 3.57 -1.03 -0.06 116.94 122.20 2k2r h PHE 28 Ca 0.12 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 2k2r h PHE 28 Cb 0.51 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2k2r h PHE 28 CO 0.04 -0.28 -0.13 0.28 -2.23 0.00 0.00 178.31 175.99 2k2r h VAL 29 N -0.18 1.26 0.00 1.41 2.07 -1.39 -1.43 116.25 118.00 2k2r h VAL 29 Ca 0.16 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2k2r h VAL 29 Cb 0.42 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2k2r h VAL 29 CO -0.40 0.42 0.09 -1.13 0.02 0.00 0.00 177.57 176.56 2k2r h ASN 30 N 0.73 0.00 0.00 0.57 -0.73 0.75 0.26 115.58 117.16 2k2r h ASN 30 Ca 0.12 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 2k2r h ASN 30 Cb 0.63 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.22 2k2r h ASN 30 CO 0.04 0.00 -0.04 0.11 -0.37 0.00 0.00 177.43 177.17 2k2r h LYS 31 N 0.00 0.00 -0.14 6.67 1.79 -0.05 2.23 116.57 127.07 2k2r h LYS 31 Ca 0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2k2r h LYS 31 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2k2r h LYS 31 CO 0.00 0.10 0.19 1.12 -1.08 0.00 0.00 179.45 179.78 2k2r h HIS 32 N -1.00 0.00 0.00 -1.35 2.07 -1.28 -1.47 115.15 112.11 2k2r h HIS 32 Ca -0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.36 2k2r h HIS 32 Cb 0.13 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.09 2k2r h HIS 32 CO 0.01 0.00 -0.88 -0.07 -3.07 0.00 0.00 177.93 173.92 2k2r h LEU 33 N 0.00 0.00 -1.46 6.12 3.38 -0.51 -3.34 115.31 119.50 2k2r h LEU 33 Ca 0.07 -0.65 0.31 0.00 0.09 0.00 0.00 57.88 57.70 2k2r h LEU 33 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2k2r h LEU 33 CO -0.00 1.34 1.06 0.78 0.09 0.00 0.00 178.44 181.71 2k2r h ASN 34 N -1.00 0.00 0.14 -0.43 4.21 0.48 0.32 115.58 119.30 2k2r h ASN 34 Ca -0.24 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.26 2k2r h ASN 34 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2k2r h ASN 34 CO -0.15 0.00 -0.07 0.07 -1.29 0.00 0.00 177.43 175.99 2k2r h LYS 35 N 0.00 -0.18 0.00 0.81 2.10 -1.63 -2.16 116.57 115.50 2k2r h LYS 35 Ca 0.50 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 2k2r h LYS 35 Cb 2.62 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.99 2k2r h LYS 35 CO -0.01 0.26 0.00 -0.11 -2.00 0.00 0.00 179.45 177.60 2k2r n LEU 36 N -4.90 0.00 -3.40 7.07 7.94 -0.01 -4.84 117.00 118.87 2k2r n LEU 36 Ca -0.08 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.70 2k2r n LEU 36 Cb 0.27 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.22 2k2r n LEU 36 CO 0.25 0.00 0.08 -0.46 -1.11 0.00 0.00 177.39 176.15 2k2r n ASN 37 N -0.72 -6.43 0.00 1.96 0.23 0.91 -5.03 115.26 106.17 2k2r n ASN 37 Ca 0.05 -0.51 0.00 0.00 -0.53 0.00 0.00 54.58 53.59 2k2r n ASN 37 Cb 0.03 -3.76 0.00 0.00 -2.08 0.00 0.00 39.78 33.97 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2k2r n LEU 38 N -2.36 0.00 -3.39 -4.53 7.99 -1.02 -4.95 117.00 108.74 2k2r n LEU 38 Ca -0.13 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 55.89 2k2r n LEU 38 Cb 0.58 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.86 2k2r n LEU 38 CO 0.59 0.00 0.54 -0.70 -1.51 0.00 0.00 177.39 176.30 2k2r s GLU 39 N 1.77 0.33 0.35 3.23 2.12 -1.26 -4.59 118.70 120.66 2k2r s GLU 39 Ca 0.00 0.80 -0.02 0.00 0.36 0.00 0.00 54.97 56.11 2k2r s GLU 39 Cb 0.00 0.48 -0.04 0.00 0.26 0.00 0.00 34.13 34.83 2k2r s GLU 39 CO 0.00 -0.16 0.59 0.54 -0.54 0.00 0.00 175.26 175.69 2k2r s VAL 40 N 2.58 5.05 0.00 3.70 0.11 -1.26 -5.00 120.40 125.58 2k2r s VAL 40 Ca -0.01 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2k2r s VAL 40 Cb -0.08 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 2k2r s VAL 40 CO -0.17 -0.53 0.00 0.41 -3.33 0.00 0.00 175.10 171.48 2k2r n THR 41 N -1.59 0.00 -3.73 5.04 -1.04 -1.26 -4.97 114.28 106.73 2k2r n THR 41 Ca -0.03 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 2k2r n THR 41 Cb 0.55 0.00 -0.13 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 -0.72 1.53 0.22 -2.82 0.41 -1.26 -4.95 118.70 111.10 2k2r s GLU 42 Ca 0.00 -2.33 -0.08 0.00 -0.41 0.00 0.00 54.97 52.15 2k2r s GLU 42 Cb 0.00 -2.51 0.30 0.00 -1.78 0.00 0.00 34.13 30.14 2k2r s GLU 42 CO 0.00 -1.21 1.77 1.25 -0.49 0.00 0.00 175.26 176.58 2k2r h LEU 43 N 6.31 0.42 -0.19 1.80 7.12 -1.94 -0.87 115.31 127.95 2k2r h LEU 43 Ca 0.05 0.06 0.03 0.00 0.13 0.00 0.00 57.88 58.15 2k2r h LEU 43 Cb 0.89 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.95 2k2r h LEU 43 CO 0.53 0.25 -0.47 -0.33 -0.13 0.00 0.00 178.44 178.29 2k2r h GLU 44 N 0.57 -0.43 0.00 1.25 5.08 -1.88 -0.24 114.58 118.92 2k2r h GLU 44 Ca 0.33 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2k2r h GLU 44 Cb 0.34 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2k2r h GLU 44 CO -0.26 -0.29 0.00 -2.37 -1.00 0.00 0.00 179.01 175.09 2k2r n THR 45 N -5.00 0.00 0.35 1.13 5.66 -1.00 -2.94 114.28 112.47 2k2r n THR 45 Ca -0.05 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.10 2k2r n THR 45 Cb 0.31 -0.56 0.48 0.00 -1.55 0.00 0.00 70.33 69.01 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 0.41 -1.62 115.11 116.07 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 0.00 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 -1.35 1.19 -0.95 0.00 0.00 178.83 177.72 2k2r n PHE 47 N -2.76 0.16 0.51 2.96 3.01 -1.15 -3.31 117.46 116.88 2k2r n PHE 47 Ca 0.03 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2k2r n PHE 47 Cb 0.36 -0.39 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 -1.92 2.12 -0.40 4.37 0.00 -0.61 -1.84 120.51 122.23 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 0.46 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.78 0.00 -0.25 0.00 5.68 -1.25 -4.98 116.55 116.52 2k2r n ASP 49 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2k2r n ASP 49 Cb 0.28 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.07 0.08 6.12 0.00 -0.76 -4.68 105.19 106.02 2k2r n GLY 50 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.92 116.25 115.13 2k2r h VAL 51 Ca -0.02 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2k2r h VAL 51 Cb 0.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2k2r h VAL 51 CO 0.02 0.00 0.35 1.88 0.02 0.00 0.00 177.57 179.84 2k2r h TYR 52 N -0.95 0.00 0.26 1.57 -1.99 -1.83 0.16 116.97 114.19 2k2r h TYR 52 Ca -0.01 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 2k2r h TYR 52 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 2k2r h TYR 52 CO 0.00 0.00 -0.13 -0.07 -0.00 0.00 0.00 178.16 177.97 2k2r h LEU 53 N 0.00 -0.30 -1.31 3.88 4.07 -1.78 -1.17 115.31 118.70 2k2r h LEU 53 Ca 0.00 -0.13 0.18 0.00 0.08 0.00 0.00 57.88 58.01 2k2r h LEU 53 Cb 0.70 0.08 -0.08 0.00 1.08 0.00 0.00 40.66 42.44 2k2r h LEU 53 CO 0.00 0.19 0.60 0.58 -1.08 0.00 0.00 178.44 178.73 2k2r h VAL 54 N -1.03 0.73 -0.61 1.22 2.07 -0.52 0.14 116.25 118.26 2k2r h VAL 54 Ca -0.04 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 2k2r h VAL 54 Cb 0.41 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2k2r h VAL 54 CO 0.06 0.11 0.15 -0.07 0.02 0.00 0.00 177.57 177.83 2k2r h LEU 55 N 0.59 0.93 0.06 2.57 3.38 -1.31 -2.88 115.31 118.64 2k2r h LEU 55 Ca 0.49 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2k2r h LEU 55 Cb 0.96 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2k2r h LEU 55 CO -0.24 0.92 -0.44 0.25 0.09 0.00 0.00 178.44 179.02 2k2r h LEU 56 N 0.89 -1.32 -0.84 1.67 5.85 0.58 0.12 115.31 122.26 2k2r h LEU 56 Ca 0.19 0.15 0.20 0.00 0.84 0.00 0.00 57.88 59.27 2k2r h LEU 56 Cb 0.36 0.50 -0.15 0.00 0.37 0.00 0.00 40.66 41.74 2k2r h LEU 56 CO 0.00 -0.49 0.03 0.24 -0.34 0.00 0.00 178.44 177.89 2k2r h MET 57 N -0.63 0.09 0.14 1.25 2.86 -1.30 -0.73 114.93 116.62 2k2r h MET 57 Ca 0.03 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2k2r h MET 57 Cb 0.68 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2k2r h MET 57 CO -0.29 0.06 -0.07 0.78 1.06 0.00 0.00 176.91 178.45 2k2r h GLY 58 N 0.09 -0.20 1.76 8.32 0.00 -1.05 -2.81 103.07 109.19 2k2r h GLY 58 Ca 0.48 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2k2r h GLY 58 CO -0.74 -0.07 0.10 1.41 0.00 0.00 0.00 176.54 177.23 2k2r h LEU 59 N -0.91 0.00 0.02 3.11 3.38 -0.77 0.81 115.31 120.95 2k2r h LEU 59 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k2r h LEU 59 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2k2r h LEU 59 CO 0.03 0.00 -0.01 0.25 0.09 0.00 0.00 178.44 178.80 2k2r h LEU 60 N 0.00 -0.02 -1.12 1.67 7.12 -1.11 -3.27 115.31 118.58 2k2r h LEU 60 Ca 0.00 -0.68 -0.06 0.00 0.13 0.00 0.00 57.88 57.27 2k2r h LEU 60 Cb 0.20 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 2k2r h LEU 60 CO 0.00 0.80 -0.26 -0.33 -0.13 0.00 0.00 178.44 178.51 2k2r h GLU 61 N -0.96 0.00 -3.74 1.25 5.08 -0.82 -3.48 114.58 111.91 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 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k2r h GLU 61 CO 0.00 0.26 -0.00 0.41 -1.00 0.00 0.00 179.01 178.69 2k2r n GLY 62 N 0.11 -0.59 2.39 -3.84 0.00 0.27 -5.07 105.19 98.45 2k2r n GLY 62 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2k2r n GLY 62 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k2r n TYR 63 N -1.24 -0.77 -1.55 1.61 9.36 -1.23 -5.05 117.16 118.28 2k2r n TYR 63 Ca 0.00 -0.65 -0.54 0.00 3.32 0.00 0.00 57.90 60.03 2k2r n TYR 63 Cb 0.50 0.31 -0.07 0.00 -0.63 0.00 0.00 39.34 39.45 2k2r n TYR 63 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2k2r n PHE 64 N -0.49 1.80 -1.78 2.98 -0.00 -1.26 -4.73 117.46 113.99 2k2r n PHE 64 Ca 0.00 0.39 -0.42 0.00 -0.00 0.00 0.00 57.45 57.42 2k2r n PHE 64 Cb 0.36 -2.50 -0.03 0.00 -0.00 0.00 0.00 39.48 37.31 2k2r n PHE 64 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 2k2r s VAL 65 N 5.50 3.21 -0.36 -2.13 -7.23 -1.26 -4.86 120.40 113.26 2k2r s VAL 65 Ca 1.05 0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 61.16 2k2r s VAL 65 Cb -0.98 -3.19 -0.08 0.00 0.56 0.00 0.00 36.38 32.69 2k2r s VAL 65 CO 0.57 -0.06 2.29 -2.65 -0.31 0.00 0.00 175.10 174.95 2k2r n PRO 66 N 7.76 1.40 -0.08 4.82 -0.02 -1.26 -4.82 135.00 142.79 2k2r n PRO 66 Ca 0.21 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2k2r n PRO 66 Cb 0.43 -3.01 -0.07 0.00 -0.02 0.00 0.00 33.50 30.82 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 15.48 0.00 -2.69 2.45 5.85 -1.96 -3.36 115.31 131.07 2k2r h LEU 67 Ca -0.31 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2k2r h LEU 67 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2k2r h LEU 67 CO 1.05 1.10 0.00 1.57 -0.34 0.00 0.00 178.44 181.82 2k2r n HIS 68 N -4.54 0.00 -0.07 1.25 -0.00 -1.26 -3.20 115.22 107.40 2k2r n HIS 68 Ca -0.19 -0.42 -0.11 0.00 0.46 0.00 0.00 57.72 57.46 2k2r n HIS 68 Cb 0.46 -0.29 -0.15 0.00 -0.12 0.00 0.00 29.99 29.89 2k2r n HIS 68 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k2r n SER 69 N 1.20 0.65 0.00 0.26 2.88 -1.26 -4.93 113.62 112.42 2k2r n SER 69 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2k2r n SER 69 Cb 0.28 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2k2r n SER 69 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2k2r n PHE 70 N -2.96 0.00 -3.27 0.66 1.16 -1.19 -5.06 117.46 106.80 2k2r n PHE 70 Ca -0.29 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.04 2k2r n PHE 70 Cb 1.10 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.89 2k2r n PHE 70 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2k2r n PHE 71 N 0.00 -0.45 0.00 2.97 7.35 -1.26 -5.06 117.46 121.02 2k2r n PHE 71 Ca 0.00 -3.49 0.00 0.00 -0.76 0.00 0.00 57.45 53.20 2k2r n PHE 71 Cb 0.00 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 39.69 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2k2r n LEU 72 N 1.91 0.00 -3.94 -2.13 7.99 -1.26 -4.26 117.00 115.31 2k2r n LEU 72 Ca 0.24 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 56.13 2k2r n LEU 72 Cb 0.51 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.69 2k2r n LEU 72 CO 0.15 0.00 -0.37 0.28 -1.51 0.00 0.00 177.39 175.94 2k2r s THR 73 N 0.00 0.15 0.24 -5.08 -1.32 -1.26 -5.07 115.64 103.30 2k2r s THR 73 Ca 0.00 -0.46 -0.31 0.00 -1.21 0.00 0.00 61.69 59.71 2k2r s THR 73 Cb 0.00 -0.20 -0.14 0.00 -1.51 0.00 0.00 72.50 70.65 2k2r s THR 73 CO 0.00 -0.20 1.27 -2.65 -2.21 0.00 0.00 174.62 170.83 2k2r n PRO 74 N 2.38 1.72 -0.05 7.08 -0.02 -1.26 -4.91 135.00 139.94 2k2r n PRO 74 Ca -0.17 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 61.83 2k2r n PRO 74 Cb 0.57 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.82 2.13 -0.59 2.55 -0.08 -1.26 -5.06 116.55 116.05 2k2r n ASP 75 Ca 0.11 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2k2r n ASP 75 Cb 0.30 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.54 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 -3.09 0.01 0.15 1.67 3.41 -1.26 -5.04 113.62 109.46 2k2r n SER 76 Ca -0.19 -0.59 -0.11 0.00 -0.26 0.00 0.00 58.87 57.73 2k2r n SER 76 Cb 0.67 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.59 -0.40 -0.90 7.33 3.57 -1.99 -2.89 116.94 122.24 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 0.13 -0.14 0.00 2.79 0.00 0.00 35.95 38.73 2k2r h PHE 77 CO 0.00 -0.09 0.32 1.49 -2.23 0.00 0.00 178.31 177.80 2k2r h GLU 78 N -0.99 0.25 -0.18 1.11 4.81 -1.98 0.97 114.58 118.57 2k2r h GLU 78 Ca -0.04 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2k2r h GLU 78 Cb 0.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k2r h GLU 78 CO 0.07 0.17 -0.20 -0.56 -0.73 0.00 0.00 179.01 177.76 2k2r h GLN 79 N 0.26 0.32 0.22 1.92 -0.00 -1.96 -1.94 115.11 113.92 2k2r h GLN 79 Ca 0.58 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 59.13 2k2r h GLN 79 Cb 1.20 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 2k2r h GLN 79 CO -0.63 0.51 -0.10 0.87 -0.00 0.00 0.00 178.83 179.48 2k2r h LYS 80 N 0.29 -0.28 -0.79 0.06 1.57 0.11 -0.22 116.57 117.31 2k2r h LYS 80 Ca 0.05 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.08 2k2r h LYS 80 Cb 0.52 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2k2r h LYS 80 CO 0.03 0.08 0.60 0.28 -0.57 0.00 0.00 179.45 179.87 2k2r h VAL 81 N -0.72 0.54 0.15 0.50 2.07 -0.70 0.13 116.25 118.22 2k2r h VAL 81 Ca -0.03 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.17 2k2r h VAL 81 Cb 0.49 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2k2r h VAL 81 CO 0.05 0.00 -1.54 0.25 0.02 0.00 0.00 177.57 176.35 2k2r h LEU 82 N 0.00 0.49 -1.59 2.57 5.85 -1.12 -1.11 115.31 120.40 2k2r h LEU 82 Ca 0.37 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2k2r h LEU 82 Cb 1.56 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2k2r h LEU 82 CO -0.00 1.54 0.24 -1.13 -0.34 0.00 0.00 178.44 178.75 2k2r h ASN 83 N 0.09 0.45 0.33 1.25 -0.73 0.11 -0.49 115.58 116.58 2k2r h ASN 83 Ca -0.25 -0.02 -0.33 0.00 1.87 0.00 0.00 56.30 57.57 2k2r h ASN 83 Cb 2.05 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 40.51 2k2r h ASN 83 CO 0.18 0.34 -1.70 0.58 -0.37 0.00 0.00 177.43 176.46 2k2r h VAL 84 N 0.53 0.95 0.00 2.57 2.07 -1.28 -2.93 116.25 118.17 2k2r h VAL 84 Ca 0.14 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.03 2k2r h VAL 84 Cb -0.04 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2k2r h VAL 84 CO -0.03 0.81 -0.07 0.28 0.02 0.00 0.00 177.57 178.58 2k2r h SER 85 N 0.07 0.00 0.14 0.57 0.02 -0.81 0.10 113.55 113.64 2k2r h SER 85 Ca -0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2k2r h SER 85 Cb 2.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.58 2k2r h SER 85 CO 0.14 0.07 -0.07 0.15 -1.14 0.00 0.00 176.83 175.98 2k2r h PHE 86 N 0.00 -0.17 -0.48 3.45 3.57 -1.14 -0.64 116.94 121.53 2k2r h PHE 86 Ca -0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2k2r h PHE 86 Cb 0.19 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2k2r h PHE 86 CO 0.00 0.13 0.34 0.00 -2.23 0.00 0.00 178.31 176.54 2k2r h ALA 87 N -0.70 2.28 0.00 2.41 0.00 -1.30 1.43 119.26 123.38 2k2r h ALA 87 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k2r h ALA 87 Cb 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k2r h ALA 87 CO 0.03 -0.41 -0.09 0.35 0.00 0.00 0.00 179.25 179.13 2k2r h PHE 88 N 0.12 0.00 0.08 0.00 3.04 -0.94 -1.51 116.94 117.72 2k2r h PHE 88 Ca 0.23 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.05 2k2r h PHE 88 Cb 0.74 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.26 2k2r h PHE 88 CO -0.00 0.09 -0.54 0.93 -2.02 0.00 0.00 178.31 176.77 2k2r h GLU 89 N 0.00 0.23 0.00 1.11 4.39 0.35 -0.18 114.58 120.48 2k2r h GLU 89 Ca -0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2k2r h GLU 89 Cb 0.79 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2k2r h GLU 89 CO 0.01 1.13 0.00 -0.07 -1.16 0.00 0.00 179.01 178.93 2k2r h LEU 90 N -0.50 0.00 0.01 1.33 3.38 -1.15 -2.49 115.31 115.89 2k2r h LEU 90 Ca -0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2k2r h LEU 90 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2k2r h LEU 90 CO 0.10 0.00 -0.65 0.24 0.09 0.00 0.00 178.44 178.22 2k2r h MET 91 N 0.00 0.03 -0.88 1.13 2.86 -1.21 0.38 114.93 117.23 2k2r h MET 91 Ca 0.00 -0.05 0.26 0.00 -2.06 0.00 0.00 59.70 57.85 2k2r h MET 91 Cb 0.43 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2k2r h MET 91 CO 0.00 1.02 0.66 0.37 1.06 0.00 0.00 176.91 180.02 2k2r h GLN 92 N -0.93 0.00 0.00 1.72 4.15 -0.86 0.87 115.11 120.06 2k2r h GLN 92 Ca -0.17 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 2k2r h GLN 92 Cb 1.20 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 2k2r h GLN 92 CO -0.08 0.00 -0.23 0.22 -1.93 0.00 0.00 178.83 176.81 2k2r h ASP 93 N 0.00 0.00 0.00 -0.69 3.58 -1.47 -3.20 116.42 114.64 2k2r h ASP 93 Ca 0.42 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k2r h ASP 93 Cb 1.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.78 2k2r h ASP 93 CO -0.00 0.85 0.00 0.61 -2.88 0.00 0.00 179.24 177.81 2k2r n GLY 94 N 1.65 -0.03 0.00 -0.78 0.00 0.12 -4.88 105.19 101.27 2k2r n GLY 94 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k2r n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2r n GLY 95 N -0.94 0.42 5.01 -0.02 0.00 0.28 -5.01 105.19 104.94 2k2r n GLY 95 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.24 -3.74 117.00 120.95 2k2r n LEU 96 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 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 -0.07 -0.62 -1.11 0.00 0.00 177.39 175.59 2k2r n GLU 97 N 0.00 -0.80 -3.83 1.96 1.02 -1.26 -4.81 120.64 112.92 2k2r n GLU 97 Ca 0.00 0.53 -0.29 0.00 -0.02 0.00 0.00 57.16 57.38 2k2r n GLU 97 Cb 0.00 -0.97 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 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 -1.61 -1.26 -1.28 3.49 5.02 -1.26 -4.91 118.16 116.35 2k2r n LYS 98 Ca 0.00 0.63 -0.30 0.00 -2.02 0.00 0.00 58.31 56.63 2k2r n LYS 98 Cb 0.18 -2.48 0.12 0.00 -0.02 0.00 0.00 35.03 32.83 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 -5.42 1.60 0.06 1.97 0.04 -1.26 -5.00 135.00 126.98 2k2r s PRO 99 Ca 0.11 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2k2r s PRO 99 Cb -0.06 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2k2r s PRO 99 CO 0.91 -2.01 0.00 1.63 0.04 0.00 0.00 177.00 177.56 2k2r n LYS 100 N -3.73 0.00 0.00 4.56 4.76 -1.26 -5.12 118.16 117.37 2k2r n LYS 100 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2k2r n LYS 100 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 2k2r n LYS 100 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2k2r n PRO 101 N -2.69 2.56 -3.98 1.97 -0.04 -1.26 -5.13 135.00 126.44 2k2r n PRO 101 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2k2r n PRO 101 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 2k2r n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2k2r s ARG 102 N 2.03 0.27 0.53 0.54 0.52 -1.26 -4.99 118.95 116.59 2k2r s ARG 102 Ca 0.00 -0.46 0.47 0.00 -0.52 0.00 0.00 55.73 55.22 2k2r s ARG 102 Cb 0.00 -0.00 1.68 0.00 0.52 0.00 0.00 34.95 37.15 2k2r s ARG 102 CO 0.00 -0.02 1.54 -2.30 0.02 0.00 0.00 175.30 174.55 2k2r n PRO 103 N 2.01 -0.01 0.11 3.54 -0.02 -1.26 0.13 135.00 139.50 2k2r n PRO 103 Ca -0.20 1.10 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 2k2r n PRO 103 Cb 0.56 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 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 -0.33 -0.89 -0.52 5.08 -1.95 -2.54 114.58 113.43 2k2r h GLU 104 Ca 0.92 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 59.56 2k2r h GLU 104 Cb 3.60 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 32.89 2k2r h GLU 104 CO -0.08 -0.03 1.06 -0.44 -1.00 0.00 0.00 179.01 178.52 2k2r h ASP 105 N -0.98 0.00 0.00 1.42 5.19 0.73 0.92 116.42 123.70 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 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 2k2r h ASP 105 CO 0.06 0.00 -0.02 0.40 -3.12 0.00 0.00 179.24 176.56 2k2r h ILE 106 N 0.00 0.00 -1.39 0.35 1.08 -1.27 -3.31 117.51 112.96 2k2r h ILE 106 Ca 0.42 -0.13 0.40 0.00 -0.39 0.00 0.00 64.86 65.17 2k2r h ILE 106 Cb 2.54 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 36.24 2k2r h ILE 106 CO -0.00 0.00 1.06 0.58 -0.69 0.00 0.00 178.15 179.09 2k2r h VAL 107 N -0.13 0.23 0.00 1.67 2.07 -0.67 0.37 116.25 119.79 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 -3.98 0.00 0.00 0.57 2.85 0.30 -4.44 115.26 110.57 2k2r n ASN 108 Ca 0.31 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 2k2r n ASN 108 Cb 1.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.52 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 -1.43 1.64 -0.12 0.00 1.47 -1.26 -4.71 116.67 112.26 2k2r s ASP 110 Ca 0.00 1.38 -0.12 0.00 1.18 0.00 0.00 52.55 55.00 2k2r s ASP 110 Cb 0.00 -2.12 -0.04 0.00 -0.34 0.00 0.00 42.92 40.42 2k2r s ASP 110 CO 0.00 -3.77 -0.23 0.18 0.68 0.00 0.00 175.17 172.03 2k2r n LEU 111 N -4.62 1.36 0.00 2.11 4.32 -1.26 -4.30 117.00 114.60 2k2r n LEU 111 Ca 0.04 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.31 2k2r n LEU 111 Cb 0.55 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 2k2r n LEU 111 CO 0.57 -0.36 0.19 1.17 -1.22 0.00 0.00 177.39 177.74 2k2r n LYS 112 N -3.89 0.00 0.40 3.23 4.81 -1.26 -0.66 118.16 120.79 2k2r n LYS 112 Ca -0.09 0.38 -0.19 0.00 -0.87 0.00 0.00 58.31 57.54 2k2r n LYS 112 Cb 0.34 -0.65 -0.10 0.00 0.02 0.00 0.00 35.03 34.64 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 -1.18 -1.00 3.14 4.64 -1.85 -2.58 113.55 114.72 2k2r h SER 113 Ca 0.00 0.07 0.37 0.00 -0.47 0.00 0.00 61.79 61.76 2k2r h SER 113 Cb 0.00 0.35 -0.17 0.00 -0.31 0.00 0.00 62.40 62.27 2k2r h SER 113 CO 0.00 -0.71 0.53 0.00 -0.87 0.00 0.00 176.83 175.78 2k2r h THR 114 N -1.13 0.12 -0.42 2.95 1.03 -1.60 0.75 112.91 114.60 2k2r h THR 114 Ca -0.10 -0.04 -0.15 0.00 -0.01 0.00 0.00 66.41 66.11 2k2r h THR 114 Cb 0.91 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 67.97 2k2r h THR 114 CO 0.09 0.02 -0.31 -0.07 -0.01 0.00 0.00 175.52 175.24 2k2r h LEU 115 N 0.13 1.00 -0.24 0.00 3.38 -0.54 -1.53 115.31 117.50 2k2r h LEU 115 Ca 0.79 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 58.38 2k2r h LEU 115 Cb 1.97 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.39 2k2r h LEU 115 CO -0.71 1.22 -0.11 0.03 0.09 0.00 0.00 178.44 178.96 2k2r h ARG 116 N 0.78 -0.08 0.20 1.13 3.08 0.88 -0.22 114.38 120.16 2k2r h ARG 116 Ca 0.08 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2k2r h ARG 116 Cb 0.90 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2k2r h ARG 116 CO 0.08 -0.05 -0.10 0.28 -1.07 0.00 0.00 179.97 179.11 2k2r h VAL 117 N -0.08 0.87 -0.68 2.04 2.07 -1.38 -2.43 116.25 116.66 2k2r h VAL 117 Ca 0.13 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.31 2k2r h VAL 117 Cb 0.27 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2k2r h VAL 117 CO -0.29 0.10 0.34 -0.07 0.02 0.00 0.00 177.57 177.67 2k2r h LEU 118 N -0.48 0.46 -0.08 2.57 -0.00 -1.06 -0.98 115.31 115.74 2k2r h LEU 118 Ca -0.03 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 57.94 2k2r h LEU 118 Cb 0.37 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.95 2k2r h LEU 118 CO 0.05 0.28 -0.23 0.22 -0.00 0.00 0.00 178.44 178.75 2k2r h TYR 119 N 0.60 -0.61 -1.00 1.13 3.20 -0.95 0.98 116.97 120.32 2k2r h TYR 119 Ca 0.33 0.03 0.33 0.00 3.14 0.00 0.00 58.73 62.55 2k2r h TYR 119 Cb 0.31 0.28 -0.15 0.00 1.54 0.00 0.00 36.73 38.71 2k2r h TYR 119 CO -0.10 -0.31 0.54 -0.97 -1.64 0.00 0.00 178.16 175.68 2k2r h ASN 120 N -0.32 0.46 0.17 -2.11 -0.00 -0.68 -0.49 115.58 112.61 2k2r h ASN 120 Ca 0.08 0.20 -0.01 0.00 -0.00 0.00 0.00 56.30 56.58 2k2r h ASN 120 Cb 0.44 0.16 0.00 0.00 -0.00 0.00 0.00 38.32 38.93 2k2r h ASN 120 CO -0.26 -0.18 -0.08 -0.07 -0.00 0.00 0.00 177.43 176.84 2k2r h LEU 121 N 0.28 -0.19 -1.81 0.34 4.07 -0.37 -2.99 115.31 114.63 2k2r h LEU 121 Ca 0.74 0.01 0.48 0.00 0.08 0.00 0.00 57.88 59.19 2k2r h LEU 121 Cb 1.72 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 43.44 2k2r h LEU 121 CO -0.63 0.05 1.30 0.15 -1.08 0.00 0.00 178.44 178.23 2k2r h PHE 122 N -0.62 0.00 0.30 1.13 3.57 -0.49 0.73 116.94 121.56 2k2r h PHE 122 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2k2r h PHE 122 Cb 0.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2k2r h PHE 122 CO 0.03 0.00 -0.14 1.15 -2.23 0.00 0.00 178.31 177.12 2k2r h THR 123 N 0.00 0.65 0.00 4.41 2.02 -1.10 -1.05 112.91 117.83 2k2r h THR 123 Ca 0.79 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2k2r h THR 123 Cb 3.38 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.77 2k2r h THR 123 CO -0.01 0.13 0.00 0.11 0.37 0.00 0.00 175.52 176.12 2k2r h LYS 124 N -0.84 0.00 0.00 6.66 1.57 0.52 -3.32 116.57 121.16 2k2r h LYS 124 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2k2r h LYS 124 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2k2r h LYS 124 CO 0.07 0.00 -0.72 0.66 -0.57 0.00 0.00 179.45 178.89 2k2r n TYR 125 N -2.85 0.00 -0.56 -1.35 4.02 0.04 -4.53 117.16 111.93 2k2r n TYR 125 Ca 0.04 0.00 0.46 0.00 -0.01 0.00 0.00 57.90 58.40 2k2r n TYR 125 Cb 0.50 -0.04 0.79 0.00 -0.02 0.00 0.00 39.34 40.57 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 0.01 0.00 -0.72 2.43 -1.29 2.85 114.38 117.66 2k2r h ARG 126 Ca 0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2k2r h ARG 126 Cb 0.33 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2k2r h ARG 126 CO 0.00 0.00 -0.69 -0.91 -1.51 0.00 0.00 179.97 176.87 2k2r h ASN 127 N 0.01 0.00 -2.95 -3.80 -0.26 -1.83 -3.45 115.58 103.29 2k2r h ASN 127 Ca 0.81 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.93 2k2r h ASN 127 Cb 3.20 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 40.40 2k2r h ASN 127 CO -0.03 0.18 -0.54 -0.69 -1.06 0.00 0.00 177.43 175.29 2k2r s VAL 128 N -3.18 4.97 -2.00 2.81 1.01 0.95 -5.24 120.40 119.72 2k2r s VAL 128 Ca 0.02 -0.64 0.26 0.00 0.00 0.00 0.00 61.98 61.63 2k2r s VAL 128 Cb 0.08 -3.44 0.75 0.00 0.00 0.00 0.00 36.38 33.77 2k2r s VAL 128 CO 0.75 0.08 1.93 -0.62 0.00 0.00 0.00 175.10 177.24