#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 -0.63 0.00 1.61 0.15 -1.26 -5.16 113.70 108.41 2yry s SER 2 Ca 0.00 1.09 0.01 0.00 0.70 0.00 0.00 55.95 57.75 2yry s SER 2 Cb 0.00 1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 65.34 2yry s SER 2 CO 0.00 -0.21 -0.03 -0.44 1.20 0.00 0.00 173.24 173.76 2yry s SER 3 N 1.62 0.33 0.00 5.45 0.01 -1.26 -5.13 113.70 114.72 2yry s SER 3 Ca -0.09 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2yry s SER 3 Cb -0.08 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2yry s SER 3 CO -0.15 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2yry n GLY 4 N 2.71 4.90 3.45 3.44 0.00 -1.26 -5.16 105.19 113.27 2yry n GLY 4 Ca -0.15 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.72 0.18 1.61 0.15 -1.26 -5.18 113.70 108.48 2yry s SER 5 Ca 0.00 0.97 0.03 0.00 0.70 0.00 0.00 55.95 57.65 2yry s SER 5 Cb 0.00 1.81 -0.05 0.00 -1.71 0.00 0.00 66.02 66.07 2yry s SER 5 CO 0.00 -0.14 -0.04 -0.44 1.20 0.00 0.00 173.24 173.82 2yry s SER 6 N 2.57 1.66 -0.30 5.45 0.01 -1.26 -5.12 113.70 116.71 2yry s SER 6 Ca -0.03 -1.12 -0.26 0.00 1.31 0.00 0.00 55.95 55.85 2yry s SER 6 Cb -0.08 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.19 2yry s SER 6 CO -0.18 -0.45 0.92 -0.83 0.41 0.00 0.00 173.24 173.11 2yry s GLY 7 N -3.21 1.65 0.00 3.44 0.00 -1.26 -4.88 107.32 103.06 2yry s GLY 7 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.71 2yry s GLY 7 CO 0.04 1.98 0.00 0.61 0.00 0.00 0.00 173.10 175.73 2yry n GLY 8 N 4.00 -2.71 3.20 0.20 0.00 -1.26 -4.78 105.19 103.84 2yry n GLY 8 Ca 0.08 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2yry n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yry s LYS 9 N -0.64 2.64 -0.14 1.61 3.01 -1.26 -5.02 119.74 119.95 2yry s LYS 9 Ca 0.00 -2.02 -0.04 0.00 -1.01 0.00 0.00 55.97 52.90 2yry s LYS 9 Cb 0.00 -3.95 0.05 0.00 -1.01 0.00 0.00 37.83 32.92 2yry s LYS 9 CO 0.00 -1.20 0.08 1.03 0.51 0.00 0.00 175.35 175.77 2yry s ARG 10 N 0.90 0.05 0.26 1.68 0.52 -1.26 -5.14 118.95 115.96 2yry s ARG 10 Ca 0.10 0.03 -0.07 0.00 -0.52 0.00 0.00 55.73 55.27 2yry s ARG 10 Cb -0.23 -1.48 -0.01 0.00 0.52 0.00 0.00 34.95 33.75 2yry s ARG 10 CO -0.03 -0.58 0.40 -1.54 0.02 0.00 0.00 175.30 173.57 2yry s SER 11 N 2.14 0.26 0.04 0.23 1.04 -1.26 -5.07 113.70 111.08 2yry s SER 11 Ca 0.03 -1.20 -0.21 0.00 0.48 0.00 0.00 55.95 55.05 2yry s SER 11 Cb -0.15 0.56 -0.14 0.00 0.10 0.00 0.00 66.02 66.39 2yry s SER 11 CO -0.07 -1.11 1.38 0.45 0.98 0.00 0.00 173.24 174.86 2yry h HIS 12 N 2.30 0.33 -5.48 5.02 3.86 -2.01 -3.47 115.15 115.70 2yry h HIS 12 Ca -0.29 -0.09 -0.36 0.00 -1.16 0.00 0.00 60.37 58.47 2yry h HIS 12 Cb 1.25 -0.07 0.13 0.00 1.06 0.00 0.00 27.41 29.78 2yry h HIS 12 CO 0.70 0.64 -0.64 0.45 0.86 0.00 0.00 177.93 179.93 2yry n SER 13 N -4.65 -5.40 -3.75 2.45 2.88 -1.26 -5.00 113.62 98.88 2yry n SER 13 Ca -0.06 -0.51 -0.27 0.00 -1.33 0.00 0.00 58.87 56.70 2yry n SER 13 Cb 0.30 -4.72 -0.17 0.00 -0.75 0.00 0.00 64.21 58.87 2yry n SER 13 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2yry s MET 14 N -6.06 0.71 0.36 -1.46 -1.94 -1.26 -5.14 119.30 104.51 2yry s MET 14 Ca 0.45 -0.34 0.06 0.00 -1.71 0.00 0.00 55.69 54.15 2yry s MET 14 Cb -0.20 -1.91 -0.07 0.00 2.01 0.00 0.00 34.83 34.66 2yry s MET 14 CO 0.68 -0.57 0.01 0.15 -0.01 0.00 0.00 175.02 175.29 2yry s LYS 15 N 1.86 1.79 -0.14 2.03 -0.14 -1.26 -4.93 119.74 118.95 2yry s LYS 15 Ca 0.00 -1.99 -0.04 0.00 -1.36 0.00 0.00 55.97 52.58 2yry s LYS 15 Cb -0.16 -1.31 -0.03 0.00 -1.68 0.00 0.00 37.83 34.65 2yry s LYS 15 CO -0.07 -0.08 0.01 0.50 -0.76 0.00 0.00 175.35 174.95 2yry s ARG 16 N -3.77 3.52 -0.02 1.68 6.06 -1.26 -5.01 118.95 120.14 2yry s ARG 16 Ca 0.35 -0.41 0.06 0.00 -2.50 0.00 0.00 55.73 53.23 2yry s ARG 16 Cb 0.08 -2.98 -0.01 0.00 0.06 0.00 0.00 34.95 32.10 2yry s ARG 16 CO 0.16 0.44 -0.21 -0.80 -2.50 0.00 0.00 175.30 172.40 2yry s ASN 17 N -0.14 2.45 0.37 -2.12 0.01 -1.26 -5.03 114.94 109.23 2yry s ASN 17 Ca 0.05 -0.38 0.16 0.00 -0.71 0.00 0.00 52.86 51.98 2yry s ASN 17 Cb -0.12 -0.36 0.73 0.00 0.41 0.00 0.00 41.25 41.91 2yry s ASN 17 CO 0.02 0.24 1.79 1.55 -1.51 0.00 0.00 177.10 179.18 2yry h PRO 18 N 5.74 0.00 -0.39 -0.60 0.13 -2.04 -3.01 132.00 131.83 2yry h PRO 18 Ca -0.38 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 2yry h PRO 18 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2yry h PRO 18 CO 0.48 0.38 -0.15 -0.91 -0.23 0.00 0.00 178.00 177.57 2yry h ASN 19 N 0.00 0.72 -2.68 1.44 2.35 -2.05 -3.43 115.58 111.93 2yry h ASN 19 Ca -0.00 -0.22 -0.54 0.00 -0.55 0.00 0.00 56.30 54.98 2yry h ASN 19 Cb 0.78 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2yry h ASN 19 CO 0.05 0.88 1.02 0.00 -1.65 0.00 0.00 177.43 177.72 2yry s ALA 20 N -4.72 3.63 0.13 -0.83 0.00 -1.14 -4.96 121.76 113.87 2yry s ALA 20 Ca -0.09 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 52.59 2yry s ALA 20 Cb 0.14 -3.71 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2yry s ALA 20 CO 0.82 -1.22 1.35 -1.25 0.00 0.00 0.00 175.76 175.45 2yry s PRO 21 N 3.31 4.35 -0.18 0.00 0.04 -1.26 -4.91 135.00 136.35 2yry s PRO 21 Ca 0.72 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.51 2yry s PRO 21 Cb -0.35 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 2yry s PRO 21 CO 0.30 -0.38 2.17 0.28 0.04 0.00 0.00 177.00 179.41 2yry n VAL 22 N 3.65 0.41 0.38 -0.36 0.31 -1.26 -4.67 118.33 116.80 2yry n VAL 22 Ca 0.10 -0.38 -0.17 0.00 -0.01 0.00 0.00 64.34 63.88 2yry n VAL 22 Cb 0.43 -2.42 -0.09 0.00 -0.91 0.00 0.00 33.84 30.86 2yry n VAL 22 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2yry h THR 23 N 6.82 0.23 -2.34 2.52 2.02 -0.65 -3.46 112.91 118.04 2yry h THR 23 Ca -0.42 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 2yry h THR 23 Cb 1.25 0.27 -0.23 0.00 -1.74 0.00 0.00 68.15 67.70 2yry h THR 23 CO 0.96 0.01 -0.08 -0.75 0.37 0.00 0.00 175.52 176.04 2yry s LYS 24 N -5.55 0.63 -0.05 6.66 2.20 -1.19 -4.99 119.74 117.45 2yry s LYS 24 Ca -0.17 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.33 2yry s LYS 24 Cb 0.02 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2yry s LYS 24 CO 0.56 -0.10 -0.10 0.00 -0.36 0.00 0.00 175.35 175.35 2yry s ALA 25 N 0.72 1.02 -0.01 3.13 0.00 -1.26 -0.69 121.76 124.67 2yry s ALA 25 Ca -0.03 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 2yry s ALA 25 Cb -0.05 -0.47 0.10 0.00 0.00 0.00 0.00 23.12 22.70 2yry s ALA 25 CO -0.05 0.09 0.87 0.20 0.00 0.00 0.00 175.76 176.87 2yry s GLY 26 N 0.61 -0.46 -0.64 0.00 0.00 -0.82 -5.03 107.32 100.99 2yry s GLY 26 Ca -0.11 1.12 -0.25 0.00 0.00 0.00 0.00 44.72 45.47 2yry s GLY 26 CO 0.02 0.44 1.09 -0.98 0.00 0.00 0.00 173.10 173.67 2yry s TRP 27 N -2.82 2.58 0.43 1.90 0.52 -1.26 -1.70 118.94 118.58 2yry s TRP 27 Ca 0.03 -0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.14 2yry s TRP 27 Cb -0.01 -4.37 -0.04 0.00 -1.15 0.00 0.00 33.47 27.90 2yry s TRP 27 CO -0.07 -1.68 0.22 -0.51 0.02 0.00 0.00 176.95 174.93 2yry s LEU 28 N 4.69 3.07 -0.21 2.99 1.43 -1.06 -4.76 118.68 124.82 2yry s LEU 28 Ca 0.32 -1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 52.29 2yry s LEU 28 Cb -0.11 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 2yry s LEU 28 CO 0.17 -0.64 -0.02 -0.36 0.23 0.00 0.00 176.35 175.74 2yry s PHE 29 N -2.62 3.00 -0.47 0.29 0.40 -1.15 -0.85 117.98 116.57 2yry s PHE 29 Ca 0.40 -0.65 -0.18 0.00 -0.60 0.00 0.00 56.93 55.90 2yry s PHE 29 Cb 0.02 -2.10 0.05 0.00 0.51 0.00 0.00 43.02 41.51 2yry s PHE 29 CO 0.22 -0.37 0.51 0.21 0.70 0.00 0.00 175.22 176.49 2yry s LYS 30 N 1.22 3.07 0.42 0.44 2.20 0.71 -2.55 119.74 125.26 2yry s LYS 30 Ca 0.03 -0.99 -0.22 0.00 -0.36 0.00 0.00 55.97 54.42 2yry s LYS 30 Cb -0.15 -4.08 -0.13 0.00 -1.51 0.00 0.00 37.83 31.97 2yry s LYS 30 CO 0.00 -1.07 0.53 0.94 -0.36 0.00 0.00 175.35 175.39 2yry n GLN 31 N 5.74 0.54 -2.95 4.03 7.27 -1.13 -3.65 117.38 127.23 2yry n GLN 31 Ca -0.08 0.20 -0.44 0.00 0.07 0.00 0.00 57.00 56.75 2yry n GLN 31 Cb 0.45 -1.48 -0.03 0.00 2.41 0.00 0.00 30.24 31.59 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 -1.47 3.30 -0.09 1.69 0.00 -0.93 -4.83 121.76 119.43 2yry s ALA 32 Ca 0.63 -2.30 0.03 0.00 0.00 0.00 0.00 51.96 50.32 2yry s ALA 32 Cb -0.61 -3.85 -0.25 0.00 0.00 0.00 0.00 23.12 18.42 2yry s ALA 32 CO 0.58 -2.74 0.49 -1.13 0.00 0.00 0.00 175.76 172.96 2yry n SER 33 N 6.90 1.51 -0.35 0.00 3.41 -1.26 -4.28 113.62 119.55 2yry n SER 33 Ca 0.05 0.30 0.05 0.00 -0.26 0.00 0.00 58.87 59.00 2yry n SER 33 Cb 0.46 -0.46 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 2yry n SER 33 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yry n SER 34 N -3.27 -0.40 0.00 4.04 2.88 -1.26 -4.82 113.62 110.80 2yry n SER 34 Ca -0.25 1.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 2yry n SER 34 Cb 1.05 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2yry n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yry n GLY 35 N -1.58 -1.72 2.27 0.46 0.00 -1.26 -5.14 105.19 98.22 2yry n GLY 35 Ca 0.14 0.66 -0.27 0.00 0.00 0.00 0.00 46.02 46.55 2yry n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 36 N -0.15 0.00 -3.51 1.61 0.31 -1.26 -4.87 118.33 110.47 2yry n VAL 36 Ca 0.00 -0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 2yry n VAL 36 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 2yry n VAL 36 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2yry s LYS 37 N -0.70 3.03 0.17 5.55 -0.14 -1.26 -4.58 119.74 121.81 2yry s LYS 37 Ca 0.40 -2.36 -0.24 0.00 -1.36 0.00 0.00 55.97 52.40 2yry s LYS 37 Cb -0.35 -4.09 0.06 0.00 -1.68 0.00 0.00 37.83 31.77 2yry s LYS 37 CO 0.46 -1.23 0.85 1.14 -0.76 0.00 0.00 175.35 175.80 2yry s GLN 38 N 0.30 1.33 -0.19 1.68 -2.07 -1.26 -5.06 119.66 114.38 2yry s GLN 38 Ca 0.15 -0.69 -0.04 0.00 -1.82 0.00 0.00 55.36 52.96 2yry s GLN 38 Cb -0.17 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 2yry s GLN 38 CO -0.05 -0.60 -0.03 -1.58 -1.32 0.00 0.00 175.29 171.70 2yry s TRP 39 N -3.49 2.98 -0.11 9.60 0.52 -1.26 -2.18 118.94 125.00 2yry s TRP 39 Ca 0.10 -0.62 -0.00 0.00 0.02 0.00 0.00 56.10 55.60 2yry s TRP 39 Cb -0.03 -2.05 -0.02 0.00 -1.15 0.00 0.00 33.47 30.22 2yry s TRP 39 CO 0.01 -0.31 -0.09 -0.80 0.02 0.00 0.00 176.95 175.77 2yry s ASN 40 N 1.01 4.41 -0.19 2.95 0.01 -1.24 -4.97 114.94 116.93 2yry s ASN 40 Ca 0.01 -0.17 -0.18 0.00 -0.71 0.00 0.00 52.86 51.81 2yry s ASN 40 Cb -0.15 -1.44 -0.03 0.00 0.41 0.00 0.00 41.25 40.04 2yry s ASN 40 CO 0.01 0.24 0.50 -0.75 -1.51 0.00 0.00 177.10 175.59 2yry s LYS 41 N -0.10 4.21 0.08 -0.60 2.20 -1.26 -0.21 119.74 124.05 2yry s LYS 41 Ca 0.00 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 56.02 2yry s LYS 41 Cb -0.13 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 2yry s LYS 41 CO 0.03 -0.09 -0.06 1.03 -0.36 0.00 0.00 175.35 175.90 2yry s ARG 42 N 1.45 0.72 -0.29 4.03 1.81 -0.03 -4.97 118.95 121.67 2yry s ARG 42 Ca 0.24 -1.21 -0.29 0.00 -1.72 0.00 0.00 55.73 52.75 2yry s ARG 42 Cb -0.15 -0.08 -0.01 0.00 -0.45 0.00 0.00 34.95 34.25 2yry s ARG 42 CO 0.10 -0.04 1.46 -0.46 -0.68 0.00 0.00 175.30 175.68 2yry s TRP 43 N -3.39 2.38 -0.05 -0.53 -0.00 -0.94 -2.57 118.94 113.85 2yry s TRP 43 Ca 0.07 0.71 -0.04 0.00 -0.00 0.00 0.00 56.10 56.84 2yry s TRP 43 Cb 0.04 -4.01 -0.04 0.00 -0.00 0.00 0.00 33.47 29.46 2yry s TRP 43 CO -0.06 -2.27 0.16 -0.06 -0.00 0.00 0.00 176.95 174.72 2yry s PHE 44 N 4.96 3.54 -0.13 5.86 0.40 -0.69 -0.26 117.98 131.66 2yry s PHE 44 Ca 0.64 0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 57.31 2yry s PHE 44 Cb -0.20 -1.86 0.05 0.00 0.51 0.00 0.00 43.02 41.52 2yry s PHE 44 CO 0.27 0.67 0.30 0.08 0.70 0.00 0.00 175.22 177.24 2yry s VAL 45 N -1.19 -0.11 -0.35 -0.44 1.01 0.48 -1.94 120.40 117.85 2yry s VAL 45 Ca 0.22 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 2yry s VAL 45 Cb -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2yry s VAL 45 CO 0.12 0.06 0.20 -0.22 0.00 0.00 0.00 175.10 175.27 2yry s LEU 46 N 1.51 4.50 -0.04 3.92 2.96 0.13 0.45 118.68 132.12 2yry s LEU 46 Ca -0.08 -0.72 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 2yry s LEU 46 Cb -0.10 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.57 2yry s LEU 46 CO -0.10 -0.30 0.10 -0.69 -1.32 0.00 0.00 176.35 174.05 2yry s VAL 47 N 1.61 -0.03 -0.90 1.68 1.01 -0.06 0.15 120.40 123.86 2yry s VAL 47 Ca 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2yry s VAL 47 Cb -0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2yry s VAL 47 CO 0.07 0.05 0.77 -0.67 0.00 0.00 0.00 175.10 175.32 2yry n ASP 48 N 3.76 -3.88 -2.45 3.32 -0.08 -1.26 -2.43 116.55 113.53 2yry n ASP 48 Ca -0.21 -0.53 -0.05 0.00 -1.51 0.00 0.00 54.79 52.48 2yry n ASP 48 Cb 0.54 -4.26 -0.00 0.00 2.34 0.00 0.00 41.12 39.74 2yry n ASP 48 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yry n ARG 49 N -3.20 -2.66 -4.16 -0.67 1.74 -1.26 -4.88 116.66 101.57 2yry n ARG 49 Ca -0.14 0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 2yry n ARG 49 Cb 0.62 -4.76 -0.10 0.00 -1.02 0.00 0.00 32.46 27.19 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 -3.04 3.27 -0.07 0.00 0.20 -1.13 -0.88 118.68 117.03 2yry s LEU 51 Ca 0.19 0.02 -0.02 0.00 0.69 0.00 0.00 54.13 55.01 2yry s LEU 51 Cb 0.07 -1.72 0.03 0.00 -0.43 0.00 0.00 46.19 44.14 2yry s LEU 51 CO -0.01 0.36 0.03 -0.36 -0.29 0.00 0.00 176.35 176.08 2yry s PHE 52 N -0.79 0.46 -0.24 5.38 0.08 0.17 -2.70 117.98 120.34 2yry s PHE 52 Ca 0.12 -0.05 -0.07 0.00 0.12 0.00 0.00 56.93 57.05 2yry s PHE 52 Cb -0.11 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 2yry s PHE 52 CO 0.02 -0.30 0.06 1.52 -0.10 0.00 0.00 175.22 176.42 2yry s TYR 53 N 2.04 3.08 0.21 0.36 1.13 -1.25 -0.39 117.35 122.53 2yry s TYR 53 Ca 0.05 -0.45 0.07 0.00 -1.41 0.00 0.00 57.07 55.33 2yry s TYR 53 Cb -0.12 -2.22 -0.04 0.00 -1.10 0.00 0.00 41.96 38.47 2yry s TYR 53 CO -0.05 -0.36 0.09 0.71 -2.51 0.00 0.00 175.55 173.43 2yry s TYR 54 N 1.56 2.96 0.27 -3.49 1.51 0.64 -3.34 117.35 117.46 2yry s TYR 54 Ca 0.06 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 2yry s TYR 54 Cb -0.15 -1.38 0.58 0.00 -0.11 0.00 0.00 41.96 40.91 2yry s TYR 54 CO 0.03 0.54 1.76 1.57 -1.11 0.00 0.00 175.55 178.34 2yry h LYS 55 N 2.11 0.60 0.00 -0.62 2.10 -1.86 -2.49 116.57 116.42 2yry h LYS 55 Ca -0.47 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 57.97 2yry h LYS 55 Cb 1.22 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 32.38 2yry h LYS 55 CO 0.60 0.40 -0.05 -3.47 -2.00 0.00 0.00 179.45 174.94 2yry n ASP 56 N -4.87 -1.17 0.30 7.07 2.03 -1.26 -4.37 116.55 114.27 2yry n ASP 56 Ca 0.18 -2.39 0.16 0.00 0.52 0.00 0.00 54.79 53.27 2yry n ASP 56 Cb 0.48 2.12 0.95 0.00 -0.72 0.00 0.00 41.12 43.95 2yry n ASP 56 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2yry h GLU 57 N 0.00 0.00 -0.95 -0.67 4.11 -1.94 -2.26 114.58 112.87 2yry h GLU 57 Ca -0.22 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.34 2yry h GLU 57 Cb 0.91 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.07 2yry h GLU 57 CO 0.29 0.02 0.58 0.87 0.07 0.00 0.00 179.01 180.83 2yry h LYS 58 N 0.00 0.88 -5.59 1.06 1.57 -1.97 -3.46 116.57 109.06 2yry h LYS 58 Ca -0.00 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.39 2yry h LYS 58 Cb 0.06 -0.20 0.16 0.00 0.08 0.00 0.00 32.23 32.33 2yry h LYS 58 CO 0.00 0.58 -0.73 0.39 -0.57 0.00 0.00 179.45 179.12 2yry n GLU 59 N -4.68 -6.76 0.26 3.15 1.02 -0.85 -4.93 120.64 107.85 2yry n GLU 59 Ca 0.18 0.82 -0.16 0.00 -0.02 0.00 0.00 57.16 57.98 2yry n GLU 59 Cb 0.36 -5.78 -0.08 0.00 -0.02 0.00 0.00 31.44 25.92 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 -2.03 -0.58 -3.17 3.49 4.39 -1.90 -3.45 114.58 111.34 2yry h GLU 60 Ca -0.57 0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.01 2yry h GLU 60 Cb 1.34 0.13 -0.25 0.00 -0.10 0.00 0.00 28.75 29.87 2yry h GLU 60 CO 0.50 -0.37 -0.43 0.45 -1.16 0.00 0.00 179.01 178.00 2yry s SER 61 N -4.68 -0.23 0.19 1.42 0.15 -1.26 -5.13 113.70 104.16 2yry s SER 61 Ca -0.16 0.41 -0.31 0.00 0.70 0.00 0.00 55.95 56.59 2yry s SER 61 Cb 0.04 0.46 -0.10 0.00 -1.71 0.00 0.00 66.02 64.71 2yry s SER 61 CO 0.63 -0.13 1.56 -0.63 1.20 0.00 0.00 173.24 175.87 2yry s ILE 62 N -0.07 2.55 -0.07 6.45 1.01 -1.26 -4.64 121.20 125.16 2yry s ILE 62 Ca -0.02 0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.98 2yry s ILE 62 Cb -0.02 -3.26 -0.28 0.00 0.01 0.00 0.00 42.46 38.91 2yry s ILE 62 CO 0.01 0.04 0.57 -0.07 0.00 0.00 0.00 174.94 175.49 2yry h LEU 63 N 6.34 0.44 -7.00 2.97 3.38 -1.96 -3.49 115.31 115.99 2yry h LEU 63 Ca -0.44 -0.79 0.18 0.00 0.09 0.00 0.00 57.88 56.93 2yry h LEU 63 Cb 1.21 -0.14 -0.32 0.00 0.09 0.00 0.00 40.66 41.50 2yry h LEU 63 CO 0.88 1.69 0.66 -0.83 0.09 0.00 0.00 178.44 180.93 2yry s GLY 64 N -5.29 0.47 0.03 0.83 0.00 -1.26 -5.09 107.32 97.01 2yry s GLY 64 Ca -0.16 3.66 -0.03 0.00 0.00 0.00 0.00 44.72 48.19 2yry s GLY 64 CO 0.82 2.70 0.22 -1.35 0.00 0.00 0.00 173.10 175.49 2yry s SER 65 N 1.09 6.40 -0.05 1.64 1.04 -1.26 -3.84 113.70 118.72 2yry s SER 65 Ca -0.08 0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 2yry s SER 65 Cb -0.03 -2.01 0.03 0.00 0.10 0.00 0.00 66.02 64.11 2yry s SER 65 CO -0.11 0.21 0.04 -0.63 0.98 0.00 0.00 173.24 173.73 2yry s ILE 66 N -1.42 0.00 0.25 -1.02 1.01 -1.10 -5.04 121.20 113.88 2yry s ILE 66 Ca 0.31 0.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 2yry s ILE 66 Cb -0.13 -0.23 -0.09 0.00 0.01 0.00 0.00 42.46 42.02 2yry s ILE 66 CO 0.22 0.19 1.27 -2.16 0.00 0.00 0.00 174.94 174.46 2yry s PRO 67 N 2.04 4.43 -0.00 2.79 0.04 -1.26 -2.84 135.00 140.18 2yry s PRO 67 Ca 0.04 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2yry s PRO 67 Cb -0.12 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2yry s PRO 67 CO -0.03 -0.15 0.01 1.28 0.04 0.00 0.00 177.00 178.14 2yry n LEU 68 N 1.91 0.00 0.32 -3.56 4.77 -1.26 -4.47 117.00 114.70 2yry n LEU 68 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.09 2yry n LEU 68 Cb 0.43 0.01 0.40 0.00 -2.33 0.00 0.00 43.42 41.93 2yry n LEU 68 CO 0.57 0.01 1.04 0.25 -1.33 0.00 0.00 177.39 177.93 2yry h LEU 69 N 0.00 0.00 0.00 2.23 5.85 -1.70 1.13 115.31 122.83 2yry h LEU 69 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2yry h LEU 69 Cb 0.60 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2yry h LEU 69 CO 0.00 0.00 -1.69 -1.20 -0.34 0.00 0.00 178.44 175.21 2yry n SER 70 N -2.63 1.79 -4.92 1.25 7.64 -1.26 -4.63 113.62 110.87 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 0.67 1.49 0.03 0.00 -1.01 0.00 0.00 64.21 65.39 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 -2.85 3.26 -0.47 1.43 0.40 0.39 -4.67 117.98 115.47 2yry s PHE 71 Ca -0.05 0.61 0.03 0.00 -0.60 0.00 0.00 56.93 56.92 2yry s PHE 71 Cb 0.08 -2.68 0.13 0.00 0.51 0.00 0.00 43.02 41.06 2yry s PHE 71 CO 0.57 -0.76 0.24 0.50 0.70 0.00 0.00 175.22 176.48 2yry s ARG 72 N -4.94 1.52 0.52 0.44 3.52 0.29 -4.04 118.95 116.26 2yry s ARG 72 Ca 0.53 -2.21 -0.22 0.00 -0.13 0.00 0.00 55.73 53.70 2yry s ARG 72 Cb -0.10 -2.67 -0.05 0.00 -1.56 0.00 0.00 34.95 30.57 2yry s ARG 72 CO 0.44 -1.14 1.30 0.08 -0.81 0.00 0.00 175.30 175.17 2yry s VAL 73 N 0.14 2.38 -0.29 7.11 1.01 -1.26 -3.95 120.40 125.54 2yry s VAL 73 Ca 0.17 0.28 -0.22 0.00 0.00 0.00 0.00 61.98 62.21 2yry s VAL 73 Cb -0.25 -3.14 0.17 0.00 0.00 0.00 0.00 36.38 33.16 2yry s VAL 73 CO 0.00 -0.01 1.23 0.00 0.00 0.00 0.00 175.10 176.33 2yry s ALA 74 N -1.38 -2.25 1.00 5.51 0.00 -0.93 -4.70 121.76 119.01 2yry s ALA 74 Ca 0.70 1.87 -0.20 0.00 0.00 0.00 0.00 51.96 54.33 2yry s ALA 74 Cb -0.37 -1.72 -0.15 0.00 0.00 0.00 0.00 23.12 20.88 2yry s ALA 74 CO 0.44 -0.21 -0.93 0.00 0.00 0.00 0.00 175.76 175.06 2yry n ALA 75 N 2.35 -5.43 -1.38 0.00 0.00 -1.26 -1.92 120.51 112.87 2yry n ALA 75 Ca -0.13 -0.88 -0.17 0.00 0.00 0.00 0.00 53.44 52.26 2yry n ALA 75 Cb 0.57 -1.09 0.19 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.84 0.00 -4.26 0.00 0.24 0.43 -4.45 118.33 107.44 2yry n VAL 76 Ca -0.02 -0.58 -0.15 0.00 -2.04 0.00 0.00 64.34 61.56 2yry n VAL 76 Cb 0.61 -1.38 -0.10 0.00 -1.47 0.00 0.00 33.84 31.50 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 -5.17 1.09 0.00 7.34 -0.21 -1.26 -5.01 119.66 116.44 2yry s GLN 77 Ca 0.59 -1.46 0.13 0.00 0.02 0.00 0.00 55.36 54.65 2yry s GLN 77 Cb -0.04 -0.70 0.80 0.00 1.00 0.00 0.00 33.01 34.07 2yry s GLN 77 CO 0.43 0.09 1.22 -0.35 -2.12 0.00 0.00 175.29 174.57 2yry n PRO 78 N -0.19 0.48 -0.06 2.91 -0.04 -1.26 -2.18 135.00 134.66 2yry n PRO 78 Ca -0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.34 2yry n PRO 78 Cb 0.60 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.48 2yry n PRO 78 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yry n SER 79 N -0.93 0.32 -4.76 3.54 3.41 -1.26 -4.98 113.62 108.96 2yry n SER 79 Ca 0.10 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.38 2yry n SER 79 Cb 0.05 1.32 0.07 0.00 -0.26 0.00 0.00 64.21 65.38 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2yry s ASP 80 N -4.98 4.74 -0.34 4.04 1.01 -0.93 -4.91 116.67 115.30 2yry s ASP 80 Ca -0.09 2.05 -0.05 0.00 0.71 0.00 0.00 52.55 55.18 2yry s ASP 80 Cb 0.08 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2yry s ASP 80 CO 0.80 -1.88 3.02 -0.46 0.21 0.00 0.00 175.17 176.86 2yry n ASN 81 N -2.73 6.14 -4.62 0.27 6.94 -1.26 -4.90 115.26 115.09 2yry n ASN 81 Ca 0.11 -2.99 -0.34 0.00 -0.02 0.00 0.00 54.58 51.33 2yry n ASN 81 Cb 0.52 -1.29 -0.10 0.00 -2.36 0.00 0.00 39.78 36.55 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 -1.28 4.56 -0.13 1.53 -1.09 -1.26 -5.02 121.20 118.51 2yry s ILE 82 Ca 0.61 -0.12 -0.20 0.00 -2.23 0.00 0.00 60.65 58.71 2yry s ILE 82 Cb 0.36 -3.02 -0.18 0.00 -1.58 0.00 0.00 42.46 38.05 2yry s ILE 82 CO -0.16 0.50 0.52 0.28 -1.23 0.00 0.00 174.94 174.85 2yry h SER 83 N 6.39 0.00 -2.88 3.58 0.02 -2.00 -3.47 113.55 115.20 2yry h SER 83 Ca -0.38 -0.68 -0.52 0.00 -0.84 0.00 0.00 61.79 59.37 2yry h SER 83 Cb 1.18 0.00 0.22 0.00 0.14 0.00 0.00 62.40 63.94 2yry h SER 83 CO 0.66 0.84 -0.96 0.54 -1.14 0.00 0.00 176.83 176.78 2yry n ARG 84 N -4.66 -0.51 -0.01 3.45 1.74 -1.26 -5.00 116.66 110.41 2yry n ARG 84 Ca -0.07 -0.12 -0.01 0.00 -0.77 0.00 0.00 57.85 56.88 2yry n ARG 84 Cb 0.33 -1.67 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2yry n ARG 84 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2yry n LYS 85 N -1.00 0.04 -2.29 5.56 5.02 -1.26 -4.74 118.16 119.48 2yry n LYS 85 Ca 0.04 0.10 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 2yry n LYS 85 Cb 0.57 -0.66 -0.04 0.00 -0.02 0.00 0.00 35.03 34.88 2yry n LYS 85 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2yry s HIS 86 N -1.13 2.27 0.11 2.13 3.76 -1.26 -4.89 115.29 116.29 2yry s HIS 86 Ca -0.02 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.59 2yry s HIS 86 Cb 0.00 -4.34 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 2yry s HIS 86 CO 0.03 -1.57 -0.11 0.99 -0.85 0.00 0.00 174.74 173.23 2yry s THR 87 N 7.96 1.07 -0.10 1.30 2.01 -1.26 -2.39 115.64 124.22 2yry s THR 87 Ca 0.61 -1.74 -0.06 0.00 0.31 0.00 0.00 61.69 60.81 2yry s THR 87 Cb 0.00 -1.50 0.04 0.00 0.01 0.00 0.00 72.50 71.06 2yry s THR 87 CO 0.07 -0.57 0.25 0.72 -0.69 0.00 0.00 174.62 174.40 2yry s PHE 88 N -2.57 -0.33 0.09 4.92 -0.71 0.15 -0.43 117.98 119.10 2yry s PHE 88 Ca 0.08 0.78 0.07 0.00 -1.04 0.00 0.00 56.93 56.83 2yry s PHE 88 Cb -0.02 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 2yry s PHE 88 CO 0.01 -0.22 -0.15 -1.59 -1.34 0.00 0.00 175.22 171.93 2yry s LYS 89 N 1.09 2.02 -0.02 1.99 0.00 -0.81 -0.20 119.74 123.82 2yry s LYS 89 Ca -0.08 -1.05 0.07 0.00 0.00 0.00 0.00 55.97 54.92 2yry s LYS 89 Cb -0.09 -2.22 -0.02 0.00 0.00 0.00 0.00 37.83 35.50 2yry s LYS 89 CO -0.07 0.51 -0.24 0.00 0.00 0.00 0.00 175.35 175.55 2yry s ALA 90 N -1.10 2.00 0.03 0.59 0.00 0.18 -2.18 121.76 121.28 2yry s ALA 90 Ca 0.18 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 2yry s ALA 90 Cb -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2yry s ALA 90 CO 0.10 0.49 -0.03 -1.83 0.00 0.00 0.00 175.76 174.49 2yry s GLU 91 N -0.58 0.43 0.00 0.00 -1.05 -1.25 0.95 118.70 117.20 2yry s GLU 91 Ca 0.09 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 2yry s GLU 91 Cb -0.09 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 2yry s GLU 91 CO -0.01 -0.06 0.00 1.58 0.95 0.00 0.00 175.26 177.72 2yry n HIS 92 N 1.09 0.00 -3.15 4.83 -0.00 -1.25 -0.54 115.22 116.20 2yry n HIS 92 Ca -0.21 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.57 2yry n HIS 92 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.55 2yry n HIS 92 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yry s ALA 93 N -3.61 -3.91 -1.59 1.57 0.00 -1.26 -4.84 121.76 108.12 2yry s ALA 93 Ca 0.00 1.37 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 2yry s ALA 93 Cb 0.00 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.48 2yry s ALA 93 CO 0.00 -1.80 0.40 0.41 0.00 0.00 0.00 175.76 174.77 2yry n GLY 94 N 5.29 -0.27 1.65 0.00 0.00 -1.26 -4.78 105.19 105.82 2yry n GLY 94 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2yry n GLY 94 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yry n VAL 95 N -4.41 0.36 -3.63 1.61 0.24 -1.26 -5.16 118.33 106.08 2yry n VAL 95 Ca -0.17 0.12 -0.02 0.00 -2.04 0.00 0.00 64.34 62.23 2yry n VAL 95 Cb 0.61 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 32.08 2yry n VAL 95 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yry s ARG 96 N -2.00 0.64 -0.23 7.34 1.70 -1.26 -5.10 118.95 120.04 2yry s ARG 96 Ca 0.00 -0.32 -0.02 0.00 -0.47 0.00 0.00 55.73 54.91 2yry s ARG 96 Cb 0.00 0.24 0.07 0.00 -0.57 0.00 0.00 34.95 34.69 2yry s ARG 96 CO 0.00 -0.29 0.06 0.99 -1.08 0.00 0.00 175.30 174.98 2yry s THR 97 N -2.74 0.54 0.53 4.99 2.01 -1.26 -3.74 115.64 115.97 2yry s THR 97 Ca 0.11 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 2yry s THR 97 Cb 0.01 -1.17 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 2yry s THR 97 CO -0.03 -0.36 1.00 -0.31 -0.69 0.00 0.00 174.62 174.23 2yry s TYR 98 N 1.83 3.34 -0.02 4.92 2.02 0.27 -4.81 117.35 124.89 2yry s TYR 98 Ca 0.02 1.48 0.02 0.00 -0.37 0.00 0.00 57.07 58.22 2yry s TYR 98 Cb -0.17 -2.85 0.01 0.00 -0.40 0.00 0.00 41.96 38.55 2yry s TYR 98 CO -0.15 -0.55 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.18 2yry s PHE 99 N -2.57 0.58 -0.02 2.71 0.40 -1.26 0.49 117.98 118.30 2yry s PHE 99 Ca 0.60 -0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.81 2yry s PHE 99 Cb -0.11 -0.44 0.02 0.00 0.51 0.00 0.00 43.02 43.00 2yry s PHE 99 CO 0.32 -0.07 0.03 -0.06 0.70 0.00 0.00 175.22 176.15 2yry s PHE 100 N 0.24 -0.00 0.22 0.36 0.08 0.72 -2.83 117.98 116.76 2yry s PHE 100 Ca -0.03 0.12 0.09 0.00 0.12 0.00 0.00 56.93 57.23 2yry s PHE 100 Cb -0.07 -0.12 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 2yry s PHE 100 CO -0.00 -0.06 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.49 2yry s SER 101 N 0.62 4.54 -0.08 1.36 1.04 -1.06 -0.68 113.70 119.44 2yry s SER 101 Ca -0.05 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2yry s SER 101 Cb -0.07 -0.86 0.02 0.00 0.10 0.00 0.00 66.02 65.21 2yry s SER 101 CO -0.02 0.05 -0.06 0.00 0.98 0.00 0.00 173.24 174.19 2yry s ALA 102 N -1.98 1.08 0.19 5.32 0.00 -1.00 -2.95 121.76 122.42 2yry s ALA 102 Ca 0.28 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 2yry s ALA 102 Cb -0.08 -0.73 0.20 0.00 0.00 0.00 0.00 23.12 22.51 2yry s ALA 102 CO 0.18 -0.25 1.26 0.39 0.00 0.00 0.00 175.76 177.34 2yry n GLU 103 N 4.61 -0.19 -4.22 0.00 -0.58 -1.26 -4.45 120.64 114.55 2yry n GLU 103 Ca -0.16 1.25 -0.23 0.00 -0.42 0.00 0.00 57.16 57.60 2yry n GLU 103 Cb 0.50 -1.85 -0.07 0.00 -0.57 0.00 0.00 31.44 29.46 2yry n GLU 103 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2yry s SER 104 N -5.29 4.68 0.49 1.62 0.01 -1.26 -4.99 113.70 108.95 2yry s SER 104 Ca -0.11 -0.65 0.32 0.00 1.31 0.00 0.00 55.95 56.81 2yry s SER 104 Cb 0.17 -0.86 1.31 0.00 0.21 0.00 0.00 66.02 66.85 2yry s SER 104 CO 0.58 -0.09 1.93 1.55 0.41 0.00 0.00 173.24 177.62 2yry h PRO 105 N 1.75 0.00 -0.19 12.44 0.13 -1.94 -3.00 132.00 141.19 2yry h PRO 105 Ca -0.44 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 2yry h PRO 105 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 2yry h PRO 105 CO 0.61 0.00 -0.61 0.93 -0.23 0.00 0.00 178.00 178.71 2yry h GLU 106 N 0.00 0.75 -0.27 0.86 5.08 -1.95 -2.93 114.58 116.11 2yry h GLU 106 Ca 0.00 -0.55 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 2yry h GLU 106 Cb 0.46 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2yry h GLU 106 CO 0.00 1.17 -0.03 0.93 -1.00 0.00 0.00 179.01 180.07 2yry h GLU 107 N 0.47 0.50 0.33 2.33 3.07 -1.89 -1.58 114.58 117.80 2yry h GLU 107 Ca -0.02 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2yry h GLU 107 Cb 1.23 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 2yry h GLU 107 CO 0.13 0.69 -0.47 0.37 -1.40 0.00 0.00 179.01 178.32 2yry h GLN 108 N 0.26 -0.82 -0.27 2.33 4.15 -1.60 0.30 115.11 119.46 2yry h GLN 108 Ca 0.07 0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.58 2yry h GLN 108 Cb 0.49 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 2yry h GLN 108 CO 0.02 -0.55 0.06 1.05 -1.93 0.00 0.00 178.83 177.48 2yry h GLU 109 N -0.85 0.15 -0.79 1.69 4.11 -1.56 -1.47 114.58 115.86 2yry h GLU 109 Ca -0.03 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.47 2yry h GLU 109 Cb 0.79 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 2yry h GLU 109 CO -0.15 0.10 0.46 0.00 0.07 0.00 0.00 179.01 179.49 2yry h ALA 110 N 1.20 1.10 0.42 1.06 0.00 -0.99 -2.29 119.26 119.76 2yry h ALA 110 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2yry h ALA 110 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2yry h ALA 110 CO -0.16 0.12 -0.20 -1.49 0.00 0.00 0.00 179.25 177.52 2yry h TRP 111 N 0.80 -0.52 -0.94 0.00 4.06 0.21 -2.82 115.95 116.73 2yry h TRP 111 Ca 0.37 -0.01 0.23 0.00 2.06 0.00 0.00 58.89 61.53 2yry h TRP 111 Cb 0.27 0.17 -0.12 0.00 -1.00 0.00 0.00 29.16 28.48 2yry h TRP 111 CO -0.06 -0.29 0.49 0.82 -3.56 0.00 0.00 178.44 175.85 2yry h ILE 112 N -0.63 0.52 -0.50 1.49 2.04 -0.96 0.41 117.51 119.88 2yry h ILE 112 Ca -0.06 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.73 2yry h ILE 112 Cb 0.47 -0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 2yry h ILE 112 CO 0.09 0.09 -0.07 1.56 0.00 0.00 0.00 178.15 179.82 2yry h GLN 113 N 0.50 0.04 0.00 2.37 4.20 -1.16 1.14 115.11 122.21 2yry h GLN 113 Ca 0.59 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.29 2yry h GLN 113 Cb 1.11 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 2yry h GLN 113 CO -0.49 0.03 -0.06 0.00 -0.67 0.00 0.00 178.83 177.64 2yry h ALA 114 N 1.48 0.01 0.59 3.87 0.00 -0.99 -3.03 119.26 121.19 2yry h ALA 114 Ca 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2yry h ALA 114 Cb 0.38 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2yry h ALA 114 CO -0.48 0.04 -0.46 0.52 0.00 0.00 0.00 179.25 178.87 2yry h MET 115 N -1.00 -0.97 -0.38 0.00 2.86 -0.21 0.58 114.93 115.81 2yry h MET 115 Ca -0.01 0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2yry h MET 115 Cb 0.46 0.22 -0.09 0.00 0.06 0.00 0.00 31.60 32.25 2yry h MET 115 CO -0.01 -0.65 -0.25 0.78 1.06 0.00 0.00 176.91 177.84 2yry h GLY 116 N -1.01 -0.07 0.55 8.32 0.00 0.12 -0.30 103.07 110.68 2yry h GLY 116 Ca -0.08 0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2yry h GLY 116 CO 0.02 -0.21 -0.34 0.83 0.00 0.00 0.00 176.54 176.85 2yry h GLU 117 N -0.20 -0.63 0.00 4.80 3.07 -1.42 0.44 114.58 120.65 2yry h GLU 117 Ca 0.18 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2yry h GLU 117 Cb 0.48 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2yry h GLU 117 CO -0.49 -0.42 0.14 0.00 -1.40 0.00 0.00 179.01 176.83 2yry h ALA 118 N -0.11 1.11 0.09 3.43 0.00 -0.39 -1.11 119.26 122.28 2yry h ALA 118 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 2yry h ALA 118 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2yry h ALA 118 CO -0.11 -0.11 -2.15 0.00 0.00 0.00 0.00 179.25 176.87 2yry n ALA 119 N -1.80 1.06 -1.77 0.00 0.00 -0.07 -3.52 120.51 114.42 2yry n ALA 119 Ca -0.02 -0.75 -0.39 0.00 0.00 0.00 0.00 53.44 52.28 2yry n ALA 119 Cb 0.18 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 2yry n ALA 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2yry s ARG 120 N -2.55 4.07 -0.28 0.00 1.70 0.14 -4.00 118.95 118.02 2yry s ARG 120 Ca -0.26 2.02 -0.02 0.00 -0.47 0.00 0.00 55.73 57.00 2yry s ARG 120 Cb 0.07 -2.77 0.09 0.00 -0.57 0.00 0.00 34.95 31.77 2yry s ARG 120 CO 0.72 -0.36 0.08 0.08 -1.08 0.00 0.00 175.30 174.74 2yry s VAL 121 N -1.31 0.70 -2.31 4.99 1.01 -1.26 -4.91 120.40 117.32 2yry s VAL 121 Ca 0.56 -1.13 0.30 0.00 0.00 0.00 0.00 61.98 61.70 2yry s VAL 121 Cb -0.35 -1.45 0.69 0.00 0.00 0.00 0.00 36.38 35.27 2yry s VAL 121 CO 0.45 -0.57 1.93 0.00 0.00 0.00 0.00 175.10 176.92