#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yry s SER 2 N 0.00 -0.57 -0.28 1.61 0.01 -1.26 -5.15 113.70 108.06 2yry s SER 2 Ca 0.00 0.98 -0.06 0.00 1.31 0.00 0.00 55.95 58.17 2yry s SER 2 Cb 0.00 0.98 0.14 0.00 0.21 0.00 0.00 66.02 67.35 2yry s SER 2 CO 0.00 -0.29 0.58 -0.94 0.41 0.00 0.00 173.24 173.00 2yry s SER 3 N -0.11 -0.98 0.00 2.44 1.04 -1.26 -5.09 113.70 109.74 2yry s SER 3 Ca -0.03 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2yry s SER 3 Cb -0.03 2.03 0.00 0.00 0.10 0.00 0.00 66.02 68.12 2yry s SER 3 CO 0.03 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2yry n GLY 4 N 5.43 -0.71 3.51 7.32 0.00 -1.26 -5.01 105.19 114.47 2yry n GLY 4 Ca -0.07 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2yry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yry s SER 5 N 0.00 6.28 0.70 1.61 0.15 -1.26 -5.06 113.70 116.12 2yry s SER 5 Ca 0.00 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.14 2yry s SER 5 Cb 0.00 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.08 2yry s SER 5 CO 0.00 -0.71 1.01 -0.94 1.20 0.00 0.00 173.24 173.80 2yry s SER 6 N 1.93 4.86 0.00 5.45 1.04 -1.26 -5.06 113.70 120.67 2yry s SER 6 Ca 0.19 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2yry s SER 6 Cb -0.15 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.83 2yry s SER 6 CO 0.17 -1.57 0.00 0.61 0.98 0.00 0.00 173.24 173.44 2yry n GLY 7 N -2.90 -0.73 2.81 7.32 0.00 -1.26 -5.15 105.19 105.28 2yry n GLY 7 Ca 0.08 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 2yry n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yry s GLY 8 N 0.00 0.07 -0.00 -0.02 0.00 -1.26 -5.04 107.32 101.06 2yry s GLY 8 Ca 0.00 0.44 -0.23 0.00 0.00 0.00 0.00 44.72 44.92 2yry s GLY 8 CO 0.00 0.94 1.26 0.50 0.00 0.00 0.00 173.10 175.81 2yry h LYS 9 N 7.48 0.17 -4.29 2.90 1.57 -2.05 -3.40 116.57 118.96 2yry h LYS 9 Ca -0.39 -0.10 -0.72 0.00 -1.87 0.00 0.00 60.65 57.57 2yry h LYS 9 Cb 1.13 0.01 -0.31 0.00 0.08 0.00 0.00 32.23 33.13 2yry h LYS 9 CO 0.40 0.66 -0.42 1.03 -0.57 0.00 0.00 179.45 180.55 2yry s ARG 10 N -4.10 2.38 0.16 3.15 0.52 -1.26 -5.07 118.95 114.72 2yry s ARG 10 Ca -0.15 -1.84 -0.29 0.00 -0.52 0.00 0.00 55.73 52.92 2yry s ARG 10 Cb 0.03 -3.84 -0.07 0.00 0.52 0.00 0.00 34.95 31.59 2yry s ARG 10 CO 0.72 -1.16 0.92 -1.54 0.02 0.00 0.00 175.30 174.25 2yry s SER 11 N 2.32 7.52 -0.03 0.23 1.04 -1.26 -4.98 113.70 118.53 2yry s SER 11 Ca 0.07 1.81 -0.24 0.00 0.48 0.00 0.00 55.95 58.07 2yry s SER 11 Cb -0.25 -2.58 -0.22 0.00 0.10 0.00 0.00 66.02 63.08 2yry s SER 11 CO -0.02 0.05 1.11 0.45 0.98 0.00 0.00 173.24 175.81 2yry h HIS 12 N 4.96 0.25 -1.52 5.02 -0.00 -1.98 -3.48 115.15 118.40 2yry h HIS 12 Ca -0.44 -0.12 0.20 0.00 -0.00 0.00 0.00 60.37 60.02 2yry h HIS 12 Cb 1.21 -0.04 -0.21 0.00 -0.00 0.00 0.00 27.41 28.37 2yry h HIS 12 CO 0.63 0.85 0.75 0.45 -0.00 0.00 0.00 177.93 180.61 2yry s SER 13 N -6.20 -0.19 -0.01 2.45 0.15 -1.26 -5.12 113.70 103.52 2yry s SER 13 Ca -0.16 0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.28 2yry s SER 13 Cb 0.02 0.18 -0.09 0.00 -1.71 0.00 0.00 66.02 64.42 2yry s SER 13 CO 0.73 -0.26 2.01 0.23 1.20 0.00 0.00 173.24 177.15 2yry n MET 14 N 0.16 2.68 -4.31 5.44 2.81 -1.26 -4.97 117.12 117.66 2yry n MET 14 Ca -0.03 0.95 -0.19 0.00 -1.81 0.00 0.00 57.70 56.62 2yry n MET 14 Cb 0.59 -3.02 -0.11 0.00 -0.71 0.00 0.00 33.22 29.97 2yry n MET 14 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2yry s LYS 15 N 4.74 1.22 0.05 0.03 2.47 -1.26 -4.92 119.74 122.07 2yry s LYS 15 Ca 0.91 -1.44 0.08 0.00 -1.56 0.00 0.00 55.97 53.96 2yry s LYS 15 Cb -0.44 -1.11 -0.03 0.00 -1.46 0.00 0.00 37.83 34.79 2yry s LYS 15 CO 0.42 0.20 -0.20 0.50 0.16 0.00 0.00 175.35 176.43 2yry s ARG 16 N -3.15 2.00 -0.03 4.03 3.52 -1.26 -5.09 118.95 118.97 2yry s ARG 16 Ca 0.17 -1.02 0.01 0.00 -0.13 0.00 0.00 55.73 54.76 2yry s ARG 16 Cb -0.03 -2.14 -0.03 0.00 -1.56 0.00 0.00 34.95 31.19 2yry s ARG 16 CO 0.05 0.53 -0.03 -0.80 -0.81 0.00 0.00 175.30 174.25 2yry s ASN 17 N -1.43 4.96 0.18 -2.12 0.01 -1.26 -5.03 114.94 110.24 2yry s ASN 17 Ca 0.14 -0.00 -0.07 0.00 -0.71 0.00 0.00 52.86 52.22 2yry s ASN 17 Cb -0.10 -1.28 0.07 0.00 0.41 0.00 0.00 41.25 40.34 2yry s ASN 17 CO 0.05 0.32 1.53 1.55 -1.51 0.00 0.00 177.10 179.03 2yry h PRO 18 N 4.72 0.78 -0.90 -0.60 0.13 -2.03 -3.14 132.00 130.96 2yry h PRO 18 Ca -0.49 -0.41 -0.02 0.00 -0.87 0.00 0.00 66.00 64.21 2yry h PRO 18 Cb 1.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2yry h PRO 18 CO 0.55 1.03 0.49 -0.91 -0.23 0.00 0.00 178.00 178.93 2yry h ASN 19 N 0.64 1.12 -2.16 1.44 2.35 -2.07 -3.43 115.58 113.47 2yry h ASN 19 Ca 0.05 -0.10 -0.63 0.00 -0.55 0.00 0.00 56.30 55.08 2yry h ASN 19 Cb 0.95 -0.29 0.08 0.00 0.05 0.00 0.00 38.32 39.11 2yry h ASN 19 CO 0.09 0.90 0.43 0.00 -1.65 0.00 0.00 177.43 177.20 2yry n ALA 20 N -2.41 -0.07 -2.16 -0.83 0.00 -1.19 -4.89 120.51 108.95 2yry n ALA 20 Ca 0.10 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 2yry n ALA 20 Cb 0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 2yry n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2yry s PRO 21 N -0.19 4.35 -0.15 0.00 0.04 -1.26 -4.95 135.00 132.83 2yry s PRO 21 Ca 0.73 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.52 2yry s PRO 21 Cb -0.79 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 2yry s PRO 21 CO 0.50 -0.38 1.73 0.08 0.04 0.00 0.00 177.00 178.97 2yry s VAL 22 N 0.89 3.52 0.01 -0.36 1.01 -1.26 -4.54 120.40 119.67 2yry s VAL 22 Ca 0.62 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 2yry s VAL 22 Cb -0.36 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 2yry s VAL 22 CO 0.32 -0.17 1.02 0.74 0.00 0.00 0.00 175.10 177.01 2yry h THR 23 N 6.05 0.00 -2.38 3.92 2.02 -0.15 -3.47 112.91 118.91 2yry h THR 23 Ca -0.38 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 2yry h THR 23 Cb 1.18 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.35 2yry h THR 23 CO 0.98 0.00 -0.13 -0.75 0.37 0.00 0.00 175.52 175.99 2yry s LYS 24 N -3.98 0.57 -0.00 6.66 2.20 -1.14 -4.98 119.74 119.07 2yry s LYS 24 Ca -0.09 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 56.46 2yry s LYS 24 Cb 0.01 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 2yry s LYS 24 CO 0.28 -0.13 -0.12 0.00 -0.36 0.00 0.00 175.35 175.02 2yry s ALA 25 N 1.08 0.97 -0.22 3.13 0.00 -1.26 0.02 121.76 125.47 2yry s ALA 25 Ca -0.06 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 2yry s ALA 25 Cb -0.06 -0.23 0.16 0.00 0.00 0.00 0.00 23.12 22.99 2yry s ALA 25 CO -0.10 0.23 1.21 0.20 0.00 0.00 0.00 175.76 177.30 2yry s GLY 26 N -0.35 -0.12 -0.34 0.00 0.00 -0.20 -5.00 107.32 101.32 2yry s GLY 26 Ca 0.04 2.28 -0.29 0.00 0.00 0.00 0.00 44.72 46.75 2yry s GLY 26 CO -0.00 0.94 1.52 -0.98 0.00 0.00 0.00 173.10 174.57 2yry s TRP 27 N -1.41 2.26 0.45 1.90 0.52 -1.26 -2.22 118.94 119.18 2yry s TRP 27 Ca 0.06 0.67 0.05 0.00 0.02 0.00 0.00 56.10 56.90 2yry s TRP 27 Cb -0.01 -4.14 -0.05 0.00 -1.15 0.00 0.00 33.47 28.12 2yry s TRP 27 CO -0.04 -2.34 0.06 -0.51 0.02 0.00 0.00 176.95 174.14 2yry s LEU 28 N 5.50 2.74 -0.25 2.99 1.43 -1.11 -4.87 118.68 125.11 2yry s LEU 28 Ca 0.66 -1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2yry s LEU 28 Cb -0.18 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.11 2yry s LEU 28 CO 0.31 -0.61 -0.06 -0.36 0.23 0.00 0.00 176.35 175.85 2yry s PHE 29 N -2.74 3.08 -0.43 0.29 0.40 -1.22 -2.32 117.98 115.05 2yry s PHE 29 Ca 0.28 -1.60 -0.16 0.00 -0.60 0.00 0.00 56.93 54.85 2yry s PHE 29 Cb 0.06 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.57 2yry s PHE 29 CO 0.15 -0.74 0.36 0.21 0.70 0.00 0.00 175.22 175.90 2yry s LYS 30 N 1.31 3.00 0.19 0.44 2.20 -1.09 -2.46 119.74 123.33 2yry s LYS 30 Ca -0.00 -1.04 -0.33 0.00 -0.36 0.00 0.00 55.97 54.23 2yry s LYS 30 Cb -0.17 -4.02 -0.13 0.00 -1.51 0.00 0.00 37.83 32.00 2yry s LYS 30 CO -0.04 -0.86 1.62 0.94 -0.36 0.00 0.00 175.35 176.65 2yry n GLN 31 N 5.30 2.38 -2.54 4.03 7.27 -1.25 -2.41 117.38 130.16 2yry n GLN 31 Ca -0.10 0.86 -0.34 0.00 0.07 0.00 0.00 57.00 57.48 2yry n GLN 31 Cb 0.46 -2.65 -0.03 0.00 2.41 0.00 0.00 30.24 30.43 2yry n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yry s ALA 32 N 0.91 2.87 0.05 1.69 0.00 -0.29 -4.87 121.76 122.13 2yry s ALA 32 Ca 0.76 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 2yry s ALA 32 Cb -0.61 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 2yry s ALA 32 CO 0.37 -0.31 -0.03 0.45 0.00 0.00 0.00 175.76 176.24 2yry n SER 33 N -0.99 0.92 -4.52 0.00 2.88 -1.26 -4.66 113.62 105.99 2yry n SER 33 Ca 0.09 0.12 -0.43 0.00 -1.33 0.00 0.00 58.87 57.32 2yry n SER 33 Cb 0.53 -0.31 -0.01 0.00 -0.75 0.00 0.00 64.21 63.67 2yry n SER 33 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yry s SER 34 N -5.71 6.78 0.00 -3.46 0.15 -1.26 -4.82 113.70 105.38 2yry s SER 34 Ca -0.03 -2.29 0.00 0.00 0.70 0.00 0.00 55.95 54.33 2yry s SER 34 Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2yry s SER 34 CO 0.04 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 173.98 2yry n GLY 35 N 5.40 0.17 3.76 9.45 0.00 -1.26 -5.11 105.19 117.60 2yry n GLY 35 Ca 0.37 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2yry n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yry s VAL 36 N -3.73 3.09 -0.64 1.61 0.11 -1.26 -4.91 120.40 114.66 2yry s VAL 36 Ca 0.00 1.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.81 2yry s VAL 36 Cb 0.00 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2yry s VAL 36 CO 0.00 0.21 2.04 -0.54 -3.33 0.00 0.00 175.10 173.48 2yry s LYS 37 N -1.13 2.42 0.17 1.54 1.02 -1.26 -4.78 119.74 117.72 2yry s LYS 37 Ca 0.50 0.65 -0.24 0.00 0.02 0.00 0.00 55.97 56.90 2yry s LYS 37 Cb -0.37 -4.57 0.06 0.00 -0.52 0.00 0.00 37.83 32.44 2yry s LYS 37 CO 0.45 -3.08 0.76 1.14 -0.92 0.00 0.00 175.35 173.70 2yry s GLN 38 N 7.45 1.35 -0.16 1.68 -2.07 -1.26 -5.05 119.66 121.59 2yry s GLN 38 Ca 0.76 -0.64 -0.08 0.00 -1.82 0.00 0.00 55.36 53.58 2yry s GLN 38 Cb -0.13 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2yry s GLN 38 CO 0.18 -0.61 0.11 -1.58 -1.32 0.00 0.00 175.29 172.07 2yry s TRP 39 N -3.60 3.42 -0.38 9.60 0.52 -1.26 -1.13 118.94 126.10 2yry s TRP 39 Ca 0.07 0.33 -0.07 0.00 0.02 0.00 0.00 56.10 56.44 2yry s TRP 39 Cb -0.03 -2.04 0.06 0.00 -1.15 0.00 0.00 33.47 30.31 2yry s TRP 39 CO -0.03 0.42 0.18 -0.80 0.02 0.00 0.00 176.95 176.73 2yry s ASN 40 N -0.18 5.45 -0.13 2.95 0.01 -1.01 -4.92 114.94 117.11 2yry s ASN 40 Ca 0.10 -1.36 -0.29 0.00 -0.71 0.00 0.00 52.86 50.59 2yry s ASN 40 Cb -0.12 -1.91 -0.03 0.00 0.41 0.00 0.00 41.25 39.60 2yry s ASN 40 CO 0.01 -0.43 1.40 -0.75 -1.51 0.00 0.00 177.10 175.82 2yry s LYS 41 N 1.39 4.21 0.05 -0.60 2.20 -1.26 -2.66 119.74 123.07 2yry s LYS 41 Ca 0.01 1.84 -0.02 0.00 -0.36 0.00 0.00 55.97 57.45 2yry s LYS 41 Cb -0.21 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.23 2yry s LYS 41 CO 0.02 -0.76 -0.00 1.03 -0.36 0.00 0.00 175.35 175.27 2yry s ARG 42 N 3.70 0.62 -0.23 4.03 1.81 -0.98 -5.02 118.95 122.89 2yry s ARG 42 Ca 0.61 -1.15 -0.29 0.00 -1.72 0.00 0.00 55.73 53.18 2yry s ARG 42 Cb -0.26 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.45 2yry s ARG 42 CO 0.20 -0.13 1.35 -0.46 -0.68 0.00 0.00 175.30 175.59 2yry s TRP 43 N -3.76 2.62 -0.13 -0.53 -0.00 -1.07 -2.76 118.94 113.32 2yry s TRP 43 Ca 0.05 0.83 -0.06 0.00 -0.00 0.00 0.00 56.10 56.92 2yry s TRP 43 Cb 0.07 -3.78 -0.04 0.00 -0.00 0.00 0.00 33.47 29.71 2yry s TRP 43 CO -0.10 -2.00 0.10 -0.06 -0.00 0.00 0.00 176.95 174.90 2yry s PHE 44 N 4.20 3.46 -0.02 5.86 0.40 -0.94 0.09 117.98 131.03 2yry s PHE 44 Ca 0.59 0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 57.32 2yry s PHE 44 Cb -0.20 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.41 2yry s PHE 44 CO 0.21 0.59 0.03 0.08 0.70 0.00 0.00 175.22 176.83 2yry s VAL 45 N -0.72 -0.01 -0.33 -0.44 1.01 0.23 -1.03 120.40 119.11 2yry s VAL 45 Ca 0.13 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 2yry s VAL 45 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2yry s VAL 45 CO 0.03 0.11 0.18 -0.22 0.00 0.00 0.00 175.10 175.20 2yry s LEU 46 N 1.16 4.34 -0.03 3.92 2.96 0.10 0.68 118.68 131.81 2yry s LEU 46 Ca -0.08 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.18 2yry s LEU 46 Cb -0.13 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.56 2yry s LEU 46 CO -0.03 -0.26 0.05 -0.69 -1.32 0.00 0.00 176.35 174.11 2yry s VAL 47 N 1.61 -0.04 -0.97 1.68 1.01 0.16 0.66 120.40 124.51 2yry s VAL 47 Ca 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2yry s VAL 47 Cb -0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2yry s VAL 47 CO 0.07 0.06 0.82 -0.67 0.00 0.00 0.00 175.10 175.38 2yry n ASP 48 N 3.92 -3.28 -2.36 3.32 2.03 -1.26 -2.27 116.55 116.65 2yry n ASP 48 Ca -0.24 -0.55 -0.07 0.00 0.52 0.00 0.00 54.79 54.45 2yry n ASP 48 Cb 0.53 -4.42 -0.01 0.00 -0.72 0.00 0.00 41.12 36.50 2yry n ASP 48 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2yry n ARG 49 N -3.42 -2.43 -4.09 -0.67 1.74 -1.26 -4.90 116.66 101.63 2yry n ARG 49 Ca -0.18 0.35 -0.12 0.00 -0.77 0.00 0.00 57.85 57.13 2yry n ARG 49 Cb 0.63 -4.88 -0.11 0.00 -1.02 0.00 0.00 32.46 27.08 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yry s LEU 51 N -1.99 4.36 -0.06 0.00 0.20 -1.13 -0.67 118.68 119.39 2yry s LEU 51 Ca -0.04 0.47 -0.02 0.00 0.69 0.00 0.00 54.13 55.23 2yry s LEU 51 Cb -0.06 -2.12 0.03 0.00 -0.43 0.00 0.00 46.19 43.61 2yry s LEU 51 CO -0.01 0.35 0.05 -0.36 -0.29 0.00 0.00 176.35 176.09 2yry s PHE 52 N -0.73 0.22 -0.21 5.38 0.08 0.21 -2.73 117.98 120.20 2yry s PHE 52 Ca 0.14 0.11 -0.06 0.00 0.12 0.00 0.00 56.93 57.25 2yry s PHE 52 Cb -0.12 -0.57 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 2yry s PHE 52 CO 0.04 -0.25 0.03 1.52 -0.10 0.00 0.00 175.22 176.46 2yry s TYR 53 N 2.12 3.08 0.26 0.36 -0.85 -1.23 0.77 117.35 121.87 2yry s TYR 53 Ca 0.05 -0.36 0.07 0.00 -0.52 0.00 0.00 57.07 56.30 2yry s TYR 53 Cb -0.12 -2.12 -0.03 0.00 0.38 0.00 0.00 41.96 40.06 2yry s TYR 53 CO -0.04 -0.21 0.26 0.71 -1.52 0.00 0.00 175.55 174.75 2yry s TYR 54 N 1.06 3.16 0.29 -3.49 1.51 0.11 -3.30 117.35 116.69 2yry s TYR 54 Ca 0.03 -0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2yry s TYR 54 Cb -0.14 -1.52 0.47 0.00 -0.11 0.00 0.00 41.96 40.66 2yry s TYR 54 CO 0.02 0.43 1.92 1.57 -1.11 0.00 0.00 175.55 178.39 2yry h LYS 55 N 1.36 1.07 -3.91 -0.62 2.10 -1.86 -2.82 116.57 111.89 2yry h LYS 55 Ca -0.49 -0.06 -0.23 0.00 -2.00 0.00 0.00 60.65 57.87 2yry h LYS 55 Cb 1.24 -0.24 -0.06 0.00 -0.90 0.00 0.00 32.23 32.26 2yry h LYS 55 CO 0.60 0.71 -0.10 -0.51 -2.00 0.00 0.00 179.45 178.15 2yry s ASP 56 N -6.07 0.76 0.27 7.07 1.01 -1.26 -4.52 116.67 113.93 2yry s ASP 56 Ca -0.12 -1.42 0.19 0.00 0.71 0.00 0.00 52.55 51.91 2yry s ASP 56 Cb 0.19 0.70 1.01 0.00 1.01 0.00 0.00 42.92 45.84 2yry s ASP 56 CO 0.80 -1.38 1.59 -1.84 0.21 0.00 0.00 175.17 174.55 2yry n GLU 57 N -0.56 0.13 0.21 8.23 0.28 -1.26 -1.49 120.64 126.18 2yry n GLU 57 Ca -0.01 0.60 0.05 0.00 -0.16 0.00 0.00 57.16 57.63 2yry n GLU 57 Cb 0.61 -1.89 0.46 0.00 1.43 0.00 0.00 31.44 32.05 2yry n GLU 57 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2yry h LYS 58 N 0.00 0.00 -6.25 3.44 1.57 -1.97 -3.46 116.57 109.90 2yry h LYS 58 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 2yry h LYS 58 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2yry h LYS 58 CO 0.00 0.25 -0.82 0.39 -0.57 0.00 0.00 179.45 178.70 2yry n GLU 59 N -4.19 -4.76 0.21 3.15 1.02 -0.55 -4.90 120.64 110.62 2yry n GLU 59 Ca -0.02 0.57 -0.15 0.00 -0.02 0.00 0.00 57.16 57.54 2yry n GLU 59 Cb 0.31 -5.16 -0.08 0.00 -0.02 0.00 0.00 31.44 26.48 2yry n GLU 59 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2yry h GLU 60 N -1.92 -0.47 -2.80 3.49 5.08 -1.90 -3.45 114.58 112.61 2yry h GLU 60 Ca -0.60 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 57.66 2yry h GLU 60 Cb 1.37 0.11 -0.25 0.00 0.50 0.00 0.00 28.75 30.47 2yry h GLU 60 CO 0.62 -0.25 -0.29 0.45 -1.00 0.00 0.00 179.01 178.53 2yry s SER 61 N -4.84 -0.41 -0.13 1.42 0.15 -1.26 -5.12 113.70 103.51 2yry s SER 61 Ca -0.15 0.77 -0.29 0.00 0.70 0.00 0.00 55.95 56.97 2yry s SER 61 Cb 0.04 0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2yry s SER 61 CO 0.61 -0.14 1.83 -0.63 1.20 0.00 0.00 173.24 176.11 2yry s ILE 62 N 0.48 3.37 0.11 6.45 1.01 -1.26 -4.54 121.20 126.83 2yry s ILE 62 Ca -0.02 0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.93 2yry s ILE 62 Cb -0.04 -3.35 -0.14 0.00 0.01 0.00 0.00 42.46 38.94 2yry s ILE 62 CO -0.02 -0.12 1.34 -0.07 0.00 0.00 0.00 174.94 176.06 2yry h LEU 63 N 11.83 0.93 -7.00 2.97 3.38 -1.94 -3.47 115.31 122.02 2yry h LEU 63 Ca -0.40 -0.59 -0.04 0.00 0.09 0.00 0.00 57.88 56.94 2yry h LEU 63 Cb 1.20 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 41.47 2yry h LEU 63 CO 0.97 1.38 0.17 -0.83 0.09 0.00 0.00 178.44 180.22 2yry s GLY 64 N -4.10 -0.53 0.14 0.83 0.00 -1.26 -5.10 107.32 97.31 2yry s GLY 64 Ca -0.10 1.87 0.08 0.00 0.00 0.00 0.00 44.72 46.58 2yry s GLY 64 CO 0.90 1.54 -0.13 -0.45 0.00 0.00 0.00 173.10 174.96 2yry s SER 65 N -0.06 4.16 -0.14 1.64 0.15 -1.26 -3.52 113.70 114.67 2yry s SER 65 Ca -0.03 -0.53 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 2yry s SER 65 Cb -0.04 -0.69 0.07 0.00 -1.71 0.00 0.00 66.02 63.66 2yry s SER 65 CO 0.03 0.15 0.23 -0.63 1.20 0.00 0.00 173.24 174.22 2yry s ILE 66 N -1.39 -0.36 -0.03 6.45 1.01 -1.11 -5.06 121.20 120.72 2yry s ILE 66 Ca 0.22 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 2yry s ILE 66 Cb -0.10 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 2yry s ILE 66 CO 0.13 0.03 1.47 -2.16 0.00 0.00 0.00 174.94 174.41 2yry s PRO 67 N 2.37 4.24 -0.01 2.79 0.04 -1.26 -2.85 135.00 140.31 2yry s PRO 67 Ca 0.04 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.30 2yry s PRO 67 Cb -0.13 -3.70 -0.22 0.00 0.04 0.00 0.00 34.50 30.49 2yry s PRO 67 CO -0.09 -0.67 0.55 1.28 0.04 0.00 0.00 177.00 178.11 2yry n LEU 68 N 5.97 0.34 0.15 -3.56 4.77 -1.26 -4.14 117.00 119.27 2yry n LEU 68 Ca 0.14 0.14 0.07 0.00 -0.03 0.00 0.00 56.01 56.34 2yry n LEU 68 Cb 0.43 0.13 0.38 0.00 -2.33 0.00 0.00 43.42 42.03 2yry n LEU 68 CO 0.60 0.13 0.79 -0.11 -1.33 0.00 0.00 177.39 177.46 2yry n LEU 69 N -2.59 0.37 -0.05 2.23 7.94 -1.23 0.10 117.00 123.76 2yry n LEU 69 Ca -0.12 0.59 -0.02 0.00 -1.11 0.00 0.00 56.01 55.36 2yry n LEU 69 Cb 0.77 -0.56 -0.13 0.00 0.53 0.00 0.00 43.42 44.03 2yry n LEU 69 CO 0.44 -0.71 -0.90 -1.20 -1.11 0.00 0.00 177.39 173.90 2yry n SER 70 N -2.05 1.04 -4.93 1.96 7.64 -1.24 -4.26 113.62 111.78 2yry n SER 70 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.61 2yry n SER 70 Cb 0.25 1.24 0.05 0.00 -1.01 0.00 0.00 64.21 64.75 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2yry s PHE 71 N -2.70 3.01 -0.51 1.43 0.40 0.11 -4.76 117.98 114.96 2yry s PHE 71 Ca -0.07 0.47 0.07 0.00 -0.60 0.00 0.00 56.93 56.79 2yry s PHE 71 Cb 0.07 -3.03 0.25 0.00 0.51 0.00 0.00 43.02 40.82 2yry s PHE 71 CO 0.68 -1.20 0.63 2.89 0.70 0.00 0.00 175.22 178.92 2yry n ARG 72 N -2.78 1.59 -1.05 0.44 1.85 -0.79 -4.17 116.66 111.76 2yry n ARG 72 Ca 0.07 -3.93 -0.33 0.00 -1.00 0.00 0.00 57.85 52.66 2yry n ARG 72 Cb 0.60 -1.73 0.01 0.00 -1.05 0.00 0.00 32.46 30.28 2yry n ARG 72 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2yry n VAL 73 N 1.15 0.13 -3.54 8.89 0.31 -1.26 -4.24 118.33 119.77 2yry n VAL 73 Ca 0.25 -0.41 0.01 0.00 -0.01 0.00 0.00 64.34 64.18 2yry n VAL 73 Cb 0.47 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.34 2yry n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yry s ALA 74 N -1.59 -2.67 0.43 3.52 0.00 -0.86 -4.84 121.76 115.76 2yry s ALA 74 Ca 0.48 2.02 -0.22 0.00 0.00 0.00 0.00 51.96 54.24 2yry s ALA 74 Cb -0.44 -1.97 -0.13 0.00 0.00 0.00 0.00 23.12 20.58 2yry s ALA 74 CO 0.54 -0.51 0.44 0.00 0.00 0.00 0.00 175.76 176.23 2yry n ALA 75 N 3.73 -1.82 -0.56 0.00 0.00 -1.26 -2.02 120.51 118.57 2yry n ALA 75 Ca -0.15 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 2yry n ALA 75 Cb 0.56 -1.71 0.22 0.00 0.00 0.00 0.00 19.45 18.53 2yry n ALA 75 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2yry n VAL 76 N -0.96 0.00 -4.01 0.00 0.24 0.45 -4.68 118.33 109.37 2yry n VAL 76 Ca 0.11 -0.35 -0.23 0.00 -2.04 0.00 0.00 64.34 61.83 2yry n VAL 76 Cb 0.40 -0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 31.85 2yry n VAL 76 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2yry s GLN 77 N -4.18 3.26 0.00 7.34 -0.21 -1.26 -4.98 119.66 119.62 2yry s GLN 77 Ca 0.65 -0.79 0.11 0.00 0.02 0.00 0.00 55.36 55.35 2yry s GLN 77 Cb -0.22 -2.81 0.68 0.00 1.00 0.00 0.00 33.01 31.66 2yry s GLN 77 CO 0.65 0.46 1.11 -0.35 -2.12 0.00 0.00 175.29 175.03 2yry n PRO 78 N -0.98 0.49 -0.59 2.91 -0.04 -1.26 -2.14 135.00 133.39 2yry n PRO 78 Ca -0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2yry n PRO 78 Cb 0.56 -1.37 0.12 0.00 -0.04 0.00 0.00 33.50 32.77 2yry n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yry n SER 79 N -0.87 1.47 -4.96 3.54 7.64 -1.26 -5.07 113.62 114.11 2yry n SER 79 Ca 0.09 -2.96 -0.22 0.00 1.01 0.00 0.00 58.87 56.79 2yry n SER 79 Cb 0.04 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.83 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2yry s ASP 80 N -2.50 6.21 -0.20 6.43 1.11 -0.91 -4.99 116.67 121.82 2yry s ASP 80 Ca 0.29 0.15 -0.00 0.00 0.18 0.00 0.00 52.55 53.16 2yry s ASP 80 Cb 0.28 -1.77 0.15 0.00 1.07 0.00 0.00 42.92 42.65 2yry s ASP 80 CO -0.05 -0.25 1.93 -0.46 1.18 0.00 0.00 175.17 177.53 2yry n ASN 81 N -1.61 5.78 -4.08 0.27 6.94 -1.26 -4.70 115.26 116.59 2yry n ASN 81 Ca -0.05 -2.80 -0.36 0.00 -0.02 0.00 0.00 54.58 51.35 2yry n ASN 81 Cb 0.57 -1.03 -0.08 0.00 -2.36 0.00 0.00 39.78 36.88 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2yry s ILE 82 N -1.46 3.94 0.25 1.53 -1.09 -1.26 -4.93 121.20 118.18 2yry s ILE 82 Ca 0.20 -3.50 -0.03 0.00 -2.23 0.00 0.00 60.65 55.09 2yry s ILE 82 Cb 0.16 -3.51 0.24 0.00 -1.58 0.00 0.00 42.46 37.77 2yry s ILE 82 CO 0.00 -0.99 1.70 -1.28 -1.23 0.00 0.00 174.94 173.15 2yry h SER 83 N 6.40 0.18 -3.19 3.58 0.87 -2.01 -3.42 113.55 115.97 2yry h SER 83 Ca 0.08 0.13 -0.56 0.00 -1.23 0.00 0.00 61.79 60.22 2yry h SER 83 Cb 0.87 0.14 0.19 0.00 -0.44 0.00 0.00 62.40 63.16 2yry h SER 83 CO 0.78 0.02 -0.47 0.54 -0.53 0.00 0.00 176.83 177.17 2yry n ARG 84 N -5.08 0.21 -3.79 2.24 1.74 -1.26 -5.00 116.66 105.72 2yry n ARG 84 Ca 0.16 0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 57.14 2yry n ARG 84 Cb 0.48 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 2yry n ARG 84 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2yry s LYS 85 N -2.82 2.93 -1.31 5.56 -2.85 -1.26 -4.61 119.74 115.38 2yry s LYS 85 Ca 0.63 -1.13 -0.02 0.00 -1.00 0.00 0.00 55.97 54.46 2yry s LYS 85 Cb -0.33 -2.62 -0.00 0.00 -2.06 0.00 0.00 37.83 32.82 2yry s LYS 85 CO 0.60 0.17 0.65 0.72 0.10 0.00 0.00 175.35 177.59 2yry n HIS 86 N -1.41 -1.86 -4.35 1.78 8.25 -1.26 -4.23 115.22 112.14 2yry n HIS 86 Ca -0.03 0.79 -0.30 0.00 -0.26 0.00 0.00 57.72 57.92 2yry n HIS 86 Cb 0.59 -4.18 -0.11 0.00 1.12 0.00 0.00 29.99 27.41 2yry n HIS 86 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2yry s THR 87 N -3.71 3.02 -0.00 1.59 2.01 -1.26 -2.11 115.64 115.17 2yry s THR 87 Ca 0.04 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 60.69 2yry s THR 87 Cb -0.01 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.13 2yry s THR 87 CO 0.83 0.15 -0.00 0.72 -0.69 0.00 0.00 174.62 175.63 2yry s PHE 88 N -1.12 0.05 0.08 4.92 -0.71 0.37 -0.42 117.98 121.15 2yry s PHE 88 Ca 0.18 0.00 0.09 0.00 -1.04 0.00 0.00 56.93 56.17 2yry s PHE 88 Cb -0.11 -0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 2yry s PHE 88 CO 0.10 -0.01 -0.24 -1.59 -1.34 0.00 0.00 175.22 172.14 2yry s LYS 89 N 0.11 1.70 -0.23 1.99 0.00 -0.86 -0.40 119.74 122.06 2yry s LYS 89 Ca -0.01 -1.18 -0.05 0.00 0.00 0.00 0.00 55.97 54.73 2yry s LYS 89 Cb -0.02 -2.00 -0.02 0.00 0.00 0.00 0.00 37.83 35.80 2yry s LYS 89 CO -0.00 0.49 -0.01 0.00 0.00 0.00 0.00 175.35 175.83 2yry s ALA 90 N -0.94 2.94 -0.10 0.59 0.00 0.20 -2.02 121.76 122.43 2yry s ALA 90 Ca 0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 2yry s ALA 90 Cb -0.10 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 2yry s ALA 90 CO 0.05 -0.41 -0.01 -1.83 0.00 0.00 0.00 175.76 173.56 2yry s GLU 91 N 1.46 3.09 -0.49 0.00 -1.05 -1.26 -0.09 118.70 120.35 2yry s GLU 91 Ca 0.05 -0.44 0.05 0.00 -0.15 0.00 0.00 54.97 54.49 2yry s GLU 91 Cb -0.15 -2.80 0.18 0.00 -0.44 0.00 0.00 34.13 30.92 2yry s GLU 91 CO -0.01 0.62 0.41 1.58 0.95 0.00 0.00 175.26 178.82 2yry n HIS 92 N 2.39 0.28 -1.01 4.83 -0.00 -0.99 -1.89 115.22 118.83 2yry n HIS 92 Ca -0.18 -3.60 -0.19 0.00 0.46 0.00 0.00 57.72 54.21 2yry n HIS 92 Cb 0.53 -0.04 -0.14 0.00 -0.12 0.00 0.00 29.99 30.23 2yry n HIS 92 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2yry n ALA 93 N 2.40 0.59 0.00 1.57 0.00 -1.26 -1.28 120.51 122.52 2yry n ALA 93 Ca 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2yry n ALA 93 Cb 0.45 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2yry n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yry n GLY 94 N 3.89 1.23 0.52 0.00 0.00 -1.26 -5.03 105.19 104.54 2yry n GLY 94 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2yry n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 95 N 0.00 0.00 -3.77 1.61 0.31 -0.40 -5.17 118.33 110.90 2yry n VAL 95 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2yry n VAL 95 Cb 0.00 -0.70 0.01 0.00 -0.91 0.00 0.00 33.84 32.24 2yry n VAL 95 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2yry n ARG 96 N -1.73 0.23 -4.01 5.55 1.85 -1.26 -5.05 116.66 112.25 2yry n ARG 96 Ca 0.00 -0.60 -0.31 0.00 -1.00 0.00 0.00 57.85 55.93 2yry n ARG 96 Cb 0.00 0.87 -0.15 0.00 -1.05 0.00 0.00 32.46 32.12 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2yry s THR 97 N -2.22 1.96 0.52 8.89 2.01 -1.26 -2.35 115.64 123.19 2yry s THR 97 Ca 0.13 -1.64 -0.16 0.00 0.31 0.00 0.00 61.69 60.33 2yry s THR 97 Cb -0.01 -2.19 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 2yry s THR 97 CO 0.02 -0.18 0.99 -0.31 -0.69 0.00 0.00 174.62 174.45 2yry s TYR 98 N 1.17 3.46 0.05 4.92 1.51 0.87 -4.82 117.35 124.51 2yry s TYR 98 Ca -0.04 1.46 0.08 0.00 -1.01 0.00 0.00 57.07 57.56 2yry s TYR 98 Cb -0.19 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.84 2yry s TYR 98 CO -0.07 -0.40 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.70 2yry s PHE 99 N -2.66 1.88 -0.16 2.71 0.40 -1.26 0.63 117.98 119.52 2yry s PHE 99 Ca 0.59 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.49 2yry s PHE 99 Cb -0.10 -1.11 0.08 0.00 0.51 0.00 0.00 43.02 42.40 2yry s PHE 99 CO 0.33 0.11 0.29 -0.06 0.70 0.00 0.00 175.22 176.59 2yry s PHE 100 N -0.84 -0.49 0.35 0.36 0.08 0.47 -3.83 117.98 114.08 2yry s PHE 100 Ca 0.08 0.94 0.03 0.00 0.12 0.00 0.00 56.93 58.10 2yry s PHE 100 Cb -0.09 -0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.32 2yry s PHE 100 CO 0.02 -0.43 0.52 0.45 -0.10 0.00 0.00 175.22 175.68 2yry s SER 101 N 2.45 6.08 -0.02 1.36 0.15 -1.03 -0.48 113.70 122.20 2yry s SER 101 Ca 0.03 0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.82 2yry s SER 101 Cb -0.13 -1.62 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 2yry s SER 101 CO -0.10 -0.40 -0.03 0.00 1.20 0.00 0.00 173.24 173.91 2yry s ALA 102 N -2.27 0.46 0.16 5.45 0.00 -0.90 -3.39 121.76 121.26 2yry s ALA 102 Ca 0.42 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 2yry s ALA 102 Cb -0.10 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.82 2yry s ALA 102 CO 0.34 0.01 1.67 0.93 0.00 0.00 0.00 175.76 178.71 2yry h GLU 103 N 6.79 -0.02 -6.32 0.00 5.08 -1.87 -3.43 114.58 114.82 2yry h GLU 103 Ca -0.36 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.38 2yry h GLU 103 Cb 1.16 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 2yry h GLU 103 CO 0.49 -0.01 -0.76 -1.12 -1.00 0.00 0.00 179.01 176.61 2yry s SER 104 N -5.20 3.72 0.43 1.42 0.01 -1.26 -4.99 113.70 107.84 2yry s SER 104 Ca -0.14 -0.91 0.30 0.00 1.31 0.00 0.00 55.95 56.51 2yry s SER 104 Cb 0.13 -0.39 1.24 0.00 0.21 0.00 0.00 66.02 67.21 2yry s SER 104 CO 0.70 0.06 1.88 1.55 0.41 0.00 0.00 173.24 177.84 2yry h PRO 105 N 2.48 0.00 -0.16 12.44 0.13 -1.91 -2.89 132.00 142.09 2yry h PRO 105 Ca -0.42 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.54 2yry h PRO 105 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2yry h PRO 105 CO 0.57 0.00 -0.58 0.93 -0.23 0.00 0.00 178.00 178.69 2yry h GLU 106 N 0.00 0.52 0.02 0.86 5.08 -1.97 -2.87 114.58 116.22 2yry h GLU 106 Ca 0.00 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 2yry h GLU 106 Cb 0.43 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.73 2yry h GLU 106 CO 0.00 0.95 -0.33 0.93 -1.00 0.00 0.00 179.01 179.56 2yry h GLU 107 N 0.39 0.19 0.09 2.33 3.07 -1.92 -2.79 114.58 115.95 2yry h GLU 107 Ca 0.00 -0.23 0.01 0.00 -0.50 0.00 0.00 59.36 58.64 2yry h GLU 107 Cb 1.12 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 2yry h GLU 107 CO 0.11 0.99 -0.35 0.37 -1.40 0.00 0.00 179.01 178.73 2yry h GLN 108 N -0.50 -0.49 -0.35 2.33 4.15 -1.59 0.55 115.11 119.21 2yry h GLN 108 Ca -0.05 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.48 2yry h GLN 108 Cb 1.12 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.86 2yry h GLN 108 CO 0.06 -0.33 -0.06 1.05 -1.93 0.00 0.00 178.83 177.63 2yry h GLU 109 N -0.51 0.03 -0.73 1.69 4.11 -1.66 -0.49 114.58 117.02 2yry h GLU 109 Ca -0.01 -0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.49 2yry h GLU 109 Cb 0.51 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2yry h GLU 109 CO -0.19 0.02 0.48 0.00 0.07 0.00 0.00 179.01 179.40 2yry h ALA 110 N 1.34 1.72 -0.10 1.06 0.00 -1.18 -2.06 119.26 120.03 2yry h ALA 110 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2yry h ALA 110 Cb 0.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2yry h ALA 110 CO -0.34 0.16 -0.03 -1.49 0.00 0.00 0.00 179.25 177.56 2yry h TRP 111 N 0.74 0.22 -0.94 0.00 4.06 0.16 -3.08 115.95 117.11 2yry h TRP 111 Ca 0.32 -0.05 0.10 0.00 2.06 0.00 0.00 58.89 61.32 2yry h TRP 111 Cb 0.29 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.33 2yry h TRP 111 CO -0.00 0.51 0.60 0.82 -3.56 0.00 0.00 178.44 176.81 2yry h ILE 112 N -0.14 0.97 -0.56 1.49 2.04 -0.62 0.29 117.51 120.98 2yry h ILE 112 Ca 0.02 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.65 2yry h ILE 112 Cb 0.44 -0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 36.37 2yry h ILE 112 CO 0.01 0.17 0.15 1.56 0.00 0.00 0.00 178.15 180.04 2yry h GLN 113 N 0.96 0.28 0.00 2.37 4.20 -1.30 0.96 115.11 122.57 2yry h GLN 113 Ca 0.44 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 2yry h GLN 113 Cb 0.40 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2yry h GLN 113 CO -0.20 0.19 -0.09 0.00 -0.67 0.00 0.00 178.83 178.06 2yry h ALA 114 N 1.42 0.01 0.64 3.87 0.00 -1.34 -3.26 119.26 120.62 2yry h ALA 114 Ca 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2yry h ALA 114 Cb 0.39 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2yry h ALA 114 CO -0.34 0.06 -0.37 0.52 0.00 0.00 0.00 179.25 179.11 2yry h MET 115 N -1.00 -0.91 -0.99 0.00 2.86 -0.40 0.23 114.93 114.72 2yry h MET 115 Ca -0.02 0.06 0.19 0.00 -2.06 0.00 0.00 59.70 57.87 2yry h MET 115 Cb 0.54 0.21 -0.18 0.00 0.06 0.00 0.00 31.60 32.22 2yry h MET 115 CO -0.01 -0.61 -0.27 0.41 1.06 0.00 0.00 176.91 177.49 2yry n GLY 116 N -1.48 -1.72 0.25 8.32 0.00 0.33 0.82 105.19 111.71 2yry n GLY 116 Ca -0.12 1.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.84 2yry n GLY 116 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2yry h GLU 117 N 0.00 -0.53 -0.36 1.61 5.08 -1.57 -1.32 114.58 117.49 2yry h GLU 117 Ca 0.45 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.95 2yry h GLU 117 Cb 0.70 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2yry h GLU 117 CO -1.01 -0.23 0.46 0.00 -1.00 0.00 0.00 179.01 177.23 2yry h ALA 118 N -0.66 2.01 0.19 3.43 0.00 0.79 0.31 119.26 125.33 2yry h ALA 118 Ca -0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 2yry h ALA 118 Cb 0.55 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.39 2yry h ALA 118 CO 0.09 -0.64 -1.46 0.00 0.00 0.00 0.00 179.25 177.24 2yry h ALA 119 N 1.42 0.02 -1.92 0.00 0.00 0.56 -3.29 119.26 116.05 2yry h ALA 119 Ca 0.17 -0.98 -0.53 0.00 0.00 0.00 0.00 54.91 53.57 2yry h ALA 119 Cb 1.09 0.32 0.22 0.00 0.00 0.00 0.00 17.79 19.42 2yry h ALA 119 CO -0.00 0.78 -1.69 0.54 0.00 0.00 0.00 179.25 178.88 2yry n ARG 120 N -3.78 0.00 0.01 0.00 1.74 0.10 -3.57 116.66 111.16 2yry n ARG 120 Ca -0.21 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.98 2yry n ARG 120 Cb 1.01 -0.96 -0.09 0.00 -1.02 0.00 0.00 32.46 31.40 2yry n ARG 120 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2yry n VAL 121 N -2.25 0.11 0.00 1.55 0.31 -1.26 -4.73 118.33 112.05 2yry n VAL 121 Ca -0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2yry n VAL 121 Cb 0.52 0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 2yry n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51