#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 -0.91 0.49 1.61 0.15 -1.26 -5.16 113.70 108.62 2yry s SER 2 Ca 0.00 1.42 -0.12 0.00 0.70 0.00 0.00 55.95 57.95 2yry s SER 2 Cb 0.00 2.02 -0.06 0.00 -1.71 0.00 0.00 66.02 66.27 2yry s SER 2 CO 0.00 -0.22 0.89 -0.55 1.20 0.00 0.00 173.24 174.55 2yry s SER 3 N 2.77 6.48 -0.38 5.45 0.15 -1.26 -5.03 113.70 121.88 2yry s SER 3 Ca -0.05 1.30 -0.20 0.00 0.70 0.00 0.00 55.95 57.70 2yry s SER 3 Cb -0.12 -2.40 0.01 0.00 -1.71 0.00 0.00 66.02 61.80 2yry s SER 3 CO -0.17 -0.56 0.63 -0.83 1.20 0.00 0.00 173.24 173.51 2yry s GLY 4 N -3.41 1.74 -0.43 9.45 0.00 -1.26 -5.01 107.32 108.40 2yry s GLY 4 Ca 0.54 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 44.35 2yry s GLY 4 CO 0.37 1.49 0.16 -1.35 0.00 0.00 0.00 173.10 173.77 2yry s SER 5 N 1.85 4.60 -0.07 1.64 1.04 -1.26 -5.07 113.70 116.43 2yry s SER 5 Ca 0.24 -2.55 -0.04 0.00 0.48 0.00 0.00 55.95 54.08 2yry s SER 5 Cb -0.14 -1.65 0.03 0.00 0.10 0.00 0.00 66.02 64.36 2yry s SER 5 CO 0.16 -0.32 0.16 -0.55 0.98 0.00 0.00 173.24 173.66 2yry s SER 6 N 0.41 -0.14 -0.37 7.02 0.15 -1.26 -5.13 113.70 114.38 2yry s SER 6 Ca 0.14 0.32 -0.23 0.00 0.70 0.00 0.00 55.95 56.88 2yry s SER 6 Cb -0.22 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.36 2yry s SER 6 CO -0.04 -0.11 0.77 -0.83 1.20 0.00 0.00 173.24 174.23 2yry s GLY 7 N 0.72 1.66 0.00 9.45 0.00 -1.26 -4.73 107.32 113.15 2yry s GLY 7 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 43.95 2yry s GLY 7 CO -0.04 1.74 0.00 0.61 0.00 0.00 0.00 173.10 175.41 2yry n GLY 8 N 4.60 -1.57 0.10 0.20 0.00 -1.26 -4.95 105.19 102.32 2yry n GLY 8 Ca 0.03 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 2yry n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yry h LYS 9 N 0.00 -0.13 -1.79 1.61 1.57 -2.04 -3.31 116.57 112.49 2yry h LYS 9 Ca 0.00 0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 2yry h LYS 9 Cb 0.00 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 2yry h LYS 9 CO 0.00 0.28 0.18 0.54 -0.57 0.00 0.00 179.45 179.88 2yry n ARG 10 N -4.83 1.55 -3.88 3.15 1.74 -1.26 -4.77 116.66 108.36 2yry n ARG 10 Ca -0.06 -0.96 -0.29 0.00 -0.77 0.00 0.00 57.85 55.78 2yry n ARG 10 Cb 0.23 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 30.06 2yry n ARG 10 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2yry s SER 11 N 1.07 3.11 0.13 0.55 0.15 -1.25 -5.02 113.70 112.43 2yry s SER 11 Ca 0.24 -0.82 -0.23 0.00 0.70 0.00 0.00 55.95 55.84 2yry s SER 11 Cb 0.16 -0.94 -0.02 0.00 -1.71 0.00 0.00 66.02 63.51 2yry s SER 11 CO -0.02 -0.21 1.66 0.45 1.20 0.00 0.00 173.24 176.31 2yry h HIS 12 N 8.09 -0.47 -3.65 3.44 3.86 -1.90 -3.42 115.15 121.10 2yry h HIS 12 Ca -0.22 0.02 -0.42 0.00 -1.16 0.00 0.00 60.37 58.60 2yry h HIS 12 Cb 1.10 0.23 -0.32 0.00 1.06 0.00 0.00 27.41 29.48 2yry h HIS 12 CO 0.44 -0.26 -0.78 -1.54 0.86 0.00 0.00 177.93 176.65 2yry s SER 13 N -5.02 1.11 0.26 2.45 1.04 -1.26 -5.15 113.70 107.13 2yry s SER 13 Ca -0.15 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.13 2yry s SER 13 Cb 0.10 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 2yry s SER 13 CO 0.67 0.02 0.43 -0.04 0.98 0.00 0.00 173.24 175.30 2yry s MET 14 N 0.48 3.49 0.24 4.02 -1.94 -1.26 -5.07 119.30 119.26 2yry s MET 14 Ca -0.07 -0.45 -0.14 0.00 -1.71 0.00 0.00 55.69 53.32 2yry s MET 14 Cb -0.11 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.93 2yry s MET 14 CO 0.01 0.33 0.50 -1.59 -0.01 0.00 0.00 175.02 174.26 2yry s LYS 15 N -3.80 1.54 -0.25 2.03 -2.85 -1.26 -4.88 119.74 110.27 2yry s LYS 15 Ca 0.38 -1.19 -0.09 0.00 -1.00 0.00 0.00 55.97 54.07 2yry s LYS 15 Cb -0.10 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2yry s LYS 15 CO 0.31 -0.64 0.11 0.50 0.10 0.00 0.00 175.35 175.73 2yry s ARG 16 N -3.99 3.81 0.39 1.78 3.52 -1.26 -5.07 118.95 118.14 2yry s ARG 16 Ca 0.20 -0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 55.15 2yry s ARG 16 Cb -0.01 -3.43 -0.11 0.00 -1.56 0.00 0.00 34.95 29.83 2yry s ARG 16 CO 0.07 -0.12 0.95 0.09 -0.81 0.00 0.00 175.30 175.48 2yry n ASN 17 N 4.77 0.99 0.22 -2.12 3.02 -1.26 -4.86 115.26 116.02 2yry n ASN 17 Ca -0.15 1.05 0.15 0.00 -0.03 0.00 0.00 54.58 55.60 2yry n ASN 17 Cb 0.52 -1.31 0.62 0.00 -0.61 0.00 0.00 39.78 39.00 2yry n ASN 17 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2yry h PRO 18 N 1.53 0.00 -0.70 3.52 0.13 -2.06 -2.97 132.00 131.45 2yry h PRO 18 Ca -0.43 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.21 2yry h PRO 18 Cb 1.35 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.13 2yry h PRO 18 CO 0.57 0.00 -0.44 0.09 -0.23 0.00 0.00 178.00 177.99 2yry n ASN 19 N -2.75 4.92 -4.48 1.44 3.02 -1.26 -5.00 115.26 111.14 2yry n ASN 19 Ca 0.01 -3.77 -0.35 0.00 -0.03 0.00 0.00 54.58 50.44 2yry n ASN 19 Cb 0.27 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.83 2yry n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yry s ALA 20 N -3.58 3.08 0.20 5.41 0.00 -1.12 -5.09 121.76 120.67 2yry s ALA 20 Ca 0.52 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2yry s ALA 20 Cb 0.42 -1.78 -0.09 0.00 0.00 0.00 0.00 23.12 21.68 2yry s ALA 20 CO 0.02 -0.07 1.30 -1.25 0.00 0.00 0.00 175.76 175.75 2yry s PRO 21 N 0.86 4.40 -0.28 0.00 0.04 -1.26 -4.96 135.00 133.80 2yry s PRO 21 Ca 0.01 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2yry s PRO 21 Cb -0.14 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2yry s PRO 21 CO 0.02 -0.23 1.55 0.54 0.04 0.00 0.00 177.00 178.92 2yry s VAL 22 N 0.03 3.78 0.04 -0.36 0.11 -1.26 -4.48 120.40 118.26 2yry s VAL 22 Ca 0.56 0.85 -0.26 0.00 -2.93 0.00 0.00 61.98 60.20 2yry s VAL 22 Cb -0.36 -3.85 -0.17 0.00 -1.53 0.00 0.00 36.38 30.46 2yry s VAL 22 CO 0.39 -0.41 1.48 0.74 -3.33 0.00 0.00 175.10 173.96 2yry h THR 23 N 6.25 0.81 -2.55 5.04 2.02 0.11 -3.46 112.91 121.14 2yry h THR 23 Ca -0.31 -0.37 -0.10 0.00 0.77 0.00 0.00 66.41 66.41 2yry h THR 23 Cb 1.14 1.02 -0.22 0.00 -1.74 0.00 0.00 68.15 68.36 2yry h THR 23 CO 1.02 0.08 -0.11 -0.75 0.37 0.00 0.00 175.52 176.14 2yry s LYS 24 N -5.36 0.69 -0.00 6.66 2.20 -1.04 -4.97 119.74 117.91 2yry s LYS 24 Ca -0.15 0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.92 2yry s LYS 24 Cb 0.04 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 2yry s LYS 24 CO 0.61 -0.14 -0.10 0.00 -0.36 0.00 0.00 175.35 175.37 2yry s ALA 25 N -0.34 0.81 0.00 3.13 0.00 -1.26 -0.23 121.76 123.86 2yry s ALA 25 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2yry s ALA 25 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2yry s ALA 25 CO 0.03 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.39 2yry n GLY 26 N 2.75 1.65 3.61 0.00 0.00 -0.99 -5.05 105.19 107.17 2yry n GLY 26 Ca -0.14 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 2yry n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yry s TRP 27 N -1.25 2.30 0.44 1.61 0.52 -1.26 -2.77 118.94 118.53 2yry s TRP 27 Ca 0.00 0.67 0.06 0.00 0.02 0.00 0.00 56.10 56.86 2yry s TRP 27 Cb 0.00 -4.20 -0.04 0.00 -1.15 0.00 0.00 33.47 28.08 2yry s TRP 27 CO 0.00 -2.22 0.18 -0.51 0.02 0.00 0.00 176.95 174.43 2yry s LEU 28 N 5.55 2.94 -0.21 2.99 1.43 -1.13 -4.82 118.68 125.44 2yry s LEU 28 Ca 0.65 -1.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2yry s LEU 28 Cb -0.17 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.81 2yry s LEU 28 CO 0.31 -0.66 -0.15 -0.36 0.23 0.00 0.00 176.35 175.72 2yry s PHE 29 N -2.67 2.95 -0.42 0.29 0.40 -1.17 -2.01 117.98 115.36 2yry s PHE 29 Ca 0.35 -1.93 -0.18 0.00 -0.60 0.00 0.00 56.93 54.57 2yry s PHE 29 Cb 0.03 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.68 2yry s PHE 29 CO 0.20 -0.83 0.51 0.21 0.70 0.00 0.00 175.22 176.00 2yry s LYS 30 N 1.22 3.18 0.48 0.44 2.20 -0.70 -2.22 119.74 124.34 2yry s LYS 30 Ca -0.01 -0.61 -0.21 0.00 -0.36 0.00 0.00 55.97 54.78 2yry s LYS 30 Cb -0.16 -3.95 -0.11 0.00 -1.51 0.00 0.00 37.83 32.10 2yry s LYS 30 CO -0.09 -0.89 0.62 0.94 -0.36 0.00 0.00 175.35 175.56 2yry n GLN 31 N 5.82 0.67 -3.63 4.03 7.27 -1.24 -2.80 117.38 127.51 2yry n GLN 31 Ca -0.05 0.25 -0.40 0.00 0.07 0.00 0.00 57.00 56.87 2yry n GLN 31 Cb 0.48 -1.68 -0.11 0.00 2.41 0.00 0.00 30.24 31.34 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 -1.54 3.23 -0.26 1.69 0.00 0.13 -4.86 121.76 120.15 2yry s ALA 32 Ca 0.66 -1.82 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 2yry s ALA 32 Cb -0.53 -2.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.90 2yry s ALA 32 CO 0.56 -1.44 -0.23 0.45 0.00 0.00 0.00 175.76 175.10 2yry n SER 33 N 4.94 1.96 -0.22 0.00 2.88 -1.26 -3.81 113.62 118.11 2yry n SER 33 Ca -0.12 0.21 -0.01 0.00 -1.33 0.00 0.00 58.87 57.63 2yry n SER 33 Cb 0.45 -0.73 0.11 0.00 -0.75 0.00 0.00 64.21 63.29 2yry n SER 33 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2yry h SER 34 N -0.68 0.43 -2.27 -3.46 0.02 -2.00 -3.44 113.55 102.15 2yry h SER 34 Ca -0.63 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2yry h SER 34 Cb 1.68 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2yry h SER 34 CO -0.29 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 2yry n GLY 35 N -1.29 3.46 3.47 -3.77 0.00 -1.26 -5.05 105.19 100.75 2yry n GLY 35 Ca 0.09 -2.07 -0.46 0.00 0.00 0.00 0.00 46.02 43.58 2yry n GLY 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2yry n VAL 36 N -0.20 1.91 -1.95 1.61 3.14 -1.26 -4.74 118.33 116.84 2yry n VAL 36 Ca 0.00 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.58 2yry n VAL 36 Cb 0.00 -0.40 -0.04 0.00 -1.06 0.00 0.00 33.84 32.34 2yry n VAL 36 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2yry s LYS 37 N -1.25 2.43 0.27 1.45 -0.14 -1.26 -4.63 119.74 116.61 2yry s LYS 37 Ca 0.62 0.25 -0.19 0.00 -1.36 0.00 0.00 55.97 55.30 2yry s LYS 37 Cb -0.80 -4.76 0.01 0.00 -1.68 0.00 0.00 37.83 30.60 2yry s LYS 37 CO 0.58 -3.27 0.65 1.14 -0.76 0.00 0.00 175.35 173.68 2yry s GLN 38 N 7.35 1.71 -0.20 1.68 -2.07 -1.25 -5.00 119.66 121.88 2yry s GLN 38 Ca 0.74 -1.06 -0.07 0.00 -1.82 0.00 0.00 55.36 53.15 2yry s GLN 38 Cb -0.10 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 2yry s GLN 38 CO 0.10 -0.77 0.06 -1.58 -1.32 0.00 0.00 175.29 171.78 2yry s TRP 39 N -3.95 3.17 -0.28 9.60 0.52 -1.26 0.20 118.94 126.94 2yry s TRP 39 Ca 0.14 -0.12 -0.08 0.00 0.02 0.00 0.00 56.10 56.06 2yry s TRP 39 Cb -0.04 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.13 2yry s TRP 39 CO 0.07 -0.04 0.11 -0.80 0.02 0.00 0.00 176.95 176.32 2yry s ASN 40 N 0.82 5.38 -0.14 2.95 0.01 -1.12 -4.93 114.94 117.91 2yry s ASN 40 Ca 0.03 -0.31 -0.28 0.00 -0.71 0.00 0.00 52.86 51.58 2yry s ASN 40 Cb -0.14 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.54 2yry s ASN 40 CO 0.02 -0.10 0.96 -0.75 -1.51 0.00 0.00 177.10 175.72 2yry s LYS 41 N 1.63 4.37 0.06 -0.60 2.20 -1.26 -1.72 119.74 124.41 2yry s LYS 41 Ca 0.06 1.28 -0.07 0.00 -0.36 0.00 0.00 55.97 56.87 2yry s LYS 41 Cb -0.16 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 2yry s LYS 41 CO 0.05 -0.35 0.13 1.03 -0.36 0.00 0.00 175.35 175.86 2yry s ARG 42 N 2.17 0.70 -0.24 4.03 1.81 -0.85 -5.02 118.95 121.55 2yry s ARG 42 Ca 0.45 -0.86 -0.29 0.00 -1.72 0.00 0.00 55.73 53.30 2yry s ARG 42 Cb -0.17 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.59 2yry s ARG 42 CO 0.15 -0.19 1.51 -0.46 -0.68 0.00 0.00 175.30 175.63 2yry s TRP 43 N -3.22 2.29 -0.13 -0.53 -0.00 -1.17 -2.82 118.94 113.38 2yry s TRP 43 Ca 0.00 0.65 -0.07 0.00 -0.00 0.00 0.00 56.10 56.68 2yry s TRP 43 Cb 0.02 -3.95 -0.04 0.00 -0.00 0.00 0.00 33.47 29.50 2yry s TRP 43 CO -0.07 -2.56 0.12 -0.06 -0.00 0.00 0.00 176.95 174.38 2yry s PHE 44 N 4.89 3.51 -0.03 5.86 0.40 -1.11 -1.10 117.98 130.39 2yry s PHE 44 Ca 0.66 0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 57.43 2yry s PHE 44 Cb -0.22 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.39 2yry s PHE 44 CO 0.27 0.64 0.07 0.08 0.70 0.00 0.00 175.22 176.97 2yry s VAL 45 N -0.83 -0.06 -0.34 -0.44 1.01 0.24 -2.33 120.40 117.64 2yry s VAL 45 Ca 0.14 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 2yry s VAL 45 Cb -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2yry s VAL 45 CO 0.03 0.09 0.19 -0.22 0.00 0.00 0.00 175.10 175.19 2yry s LEU 46 N 1.16 4.45 -0.01 3.92 2.96 0.68 0.17 118.68 132.00 2yry s LEU 46 Ca -0.08 -0.69 -0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2yry s LEU 46 Cb -0.13 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.53 2yry s LEU 46 CO -0.04 -0.28 0.01 -0.69 -1.32 0.00 0.00 176.35 174.03 2yry s VAL 47 N 1.61 -0.01 -1.20 1.68 1.01 0.18 0.16 120.40 123.84 2yry s VAL 47 Ca 0.04 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2yry s VAL 47 Cb -0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2yry s VAL 47 CO 0.07 0.01 0.82 -0.67 0.00 0.00 0.00 175.10 175.33 2yry n ASP 48 N 3.20 -3.39 -2.28 3.32 2.03 -1.26 -1.19 116.55 116.98 2yry n ASP 48 Ca -0.14 -0.80 -0.06 0.00 0.52 0.00 0.00 54.79 54.31 2yry n ASP 48 Cb 0.59 -4.37 -0.01 0.00 -0.72 0.00 0.00 41.12 36.61 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 -3.98 -2.39 -4.19 -0.67 1.74 -1.26 -4.89 116.66 101.02 2yry n ARG 49 Ca -0.20 0.31 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 2yry n ARG 49 Cb 0.65 -4.80 -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 -3.08 3.62 -0.07 0.00 0.20 -1.09 -0.65 118.68 117.61 2yry s LEU 51 Ca 0.14 0.09 -0.02 0.00 0.69 0.00 0.00 54.13 55.03 2yry s LEU 51 Cb 0.05 -1.86 0.03 0.00 -0.43 0.00 0.00 46.19 43.97 2yry s LEU 51 CO -0.03 0.28 0.01 -0.36 -0.29 0.00 0.00 176.35 175.97 2yry s PHE 52 N -0.30 0.57 -0.18 5.38 0.08 0.13 -2.62 117.98 121.03 2yry s PHE 52 Ca 0.07 -0.12 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 2yry s PHE 52 Cb -0.12 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 2yry s PHE 52 CO 0.02 -0.32 0.01 1.52 -0.10 0.00 0.00 175.22 176.35 2yry s TYR 53 N 2.01 3.10 -0.07 0.36 1.13 -1.25 -0.59 117.35 122.04 2yry s TYR 53 Ca 0.05 -0.22 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 2yry s TYR 53 Cb -0.12 -2.04 -0.03 0.00 -1.10 0.00 0.00 41.96 38.66 2yry s TYR 53 CO -0.05 -0.04 -0.05 0.71 -2.51 0.00 0.00 175.55 173.61 2yry s TYR 54 N 0.59 3.00 0.35 -3.49 1.51 -0.26 -3.33 117.35 115.72 2yry s TYR 54 Ca 0.00 0.07 0.21 0.00 -1.01 0.00 0.00 57.07 56.34 2yry s TYR 54 Cb -0.14 -1.73 1.27 0.00 -0.11 0.00 0.00 41.96 41.25 2yry s TYR 54 CO 0.02 0.37 1.46 0.36 -1.11 0.00 0.00 175.55 176.65 2yry n LYS 55 N 2.16 -0.05 -3.08 -0.62 2.85 -1.26 -3.02 118.16 115.14 2yry n LYS 55 Ca -0.18 1.26 -0.09 0.00 -1.05 0.00 0.00 58.31 58.25 2yry n LYS 55 Cb 0.53 -2.29 -0.01 0.00 -0.65 0.00 0.00 35.03 32.61 2yry n LYS 55 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2yry n ASP 56 N -5.01 -1.07 -1.68 -5.58 8.00 -1.26 -4.58 116.55 105.37 2yry n ASP 56 Ca 0.35 -2.21 -0.05 0.00 0.71 0.00 0.00 54.79 53.60 2yry n ASP 56 Cb 1.23 1.92 -0.05 0.00 -0.02 0.00 0.00 41.12 44.21 2yry n ASP 56 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2yry n GLU 57 N -0.38 1.35 -0.04 -1.24 -0.00 -1.26 -3.74 120.64 115.33 2yry n GLU 57 Ca -0.01 -0.41 0.01 0.00 -0.00 0.00 0.00 57.16 56.75 2yry n GLU 57 Cb 0.39 -1.33 -0.13 0.00 -0.00 0.00 0.00 31.44 30.37 2yry n GLU 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2yry n LYS 58 N 1.70 0.91 -3.73 3.44 5.02 -1.26 -5.02 118.16 119.22 2yry n LYS 58 Ca 0.14 -0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 2yry n LYS 58 Cb 0.62 -1.42 0.02 0.00 -0.02 0.00 0.00 35.03 34.23 2yry n LYS 58 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2yry n GLU 59 N -2.35 -3.77 -0.10 1.97 1.02 -1.25 -4.93 120.64 111.23 2yry n GLU 59 Ca -0.15 0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 57.43 2yry n GLU 59 Cb 0.74 -4.89 -0.05 0.00 -0.02 0.00 0.00 31.44 27.23 2yry n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2yry n GLU 60 N -4.23 0.53 -3.86 3.49 1.02 -1.26 -5.02 120.64 111.31 2yry n GLU 60 Ca -0.25 0.31 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 2yry n GLU 60 Cb 0.66 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.42 2yry n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yry s SER 61 N -6.22 -0.02 -0.19 1.62 0.15 -1.26 -5.13 113.70 102.66 2yry s SER 61 Ca -0.28 0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.12 2yry s SER 61 Cb 0.06 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2yry s SER 61 CO 0.41 -0.01 1.12 -0.63 1.20 0.00 0.00 173.24 175.32 2yry s ILE 62 N 0.04 4.53 0.07 6.45 1.01 -1.26 -4.63 121.20 127.41 2yry s ILE 62 Ca -0.00 1.85 -0.17 0.00 0.00 0.00 0.00 60.65 62.33 2yry s ILE 62 Cb -0.01 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.14 2yry s ILE 62 CO -0.00 -0.14 1.33 -0.07 0.00 0.00 0.00 174.94 176.06 2yry h LEU 63 N 9.34 0.65 -7.00 2.97 3.38 -1.96 -3.47 115.31 119.23 2yry h LEU 63 Ca -0.23 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.19 2yry h LEU 63 Cb 1.09 -0.19 -0.23 0.00 0.09 0.00 0.00 40.66 41.42 2yry h LEU 63 CO 0.96 1.08 0.23 -0.83 0.09 0.00 0.00 178.44 179.97 2yry s GLY 64 N -3.75 -0.41 0.04 0.83 0.00 -1.26 -5.10 107.32 97.67 2yry s GLY 64 Ca -0.13 2.29 0.03 0.00 0.00 0.00 0.00 44.72 46.92 2yry s GLY 64 CO 0.82 1.84 -0.01 -0.56 0.00 0.00 0.00 173.10 175.19 2yry s SER 65 N 0.44 4.97 -0.04 1.64 0.01 -1.26 -3.78 113.70 115.68 2yry s SER 65 Ca 0.00 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 2yry s SER 65 Cb -0.05 -1.21 0.03 0.00 0.21 0.00 0.00 66.02 65.00 2yry s SER 65 CO -0.03 0.23 0.06 -0.63 0.41 0.00 0.00 173.24 173.28 2yry s ILE 66 N -1.17 -0.10 -0.10 1.44 1.01 -1.08 -5.05 121.20 116.15 2yry s ILE 66 Ca 0.22 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.98 2yry s ILE 66 Cb -0.11 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2yry s ILE 66 CO 0.13 0.17 1.53 -2.16 0.00 0.00 0.00 174.94 174.61 2yry s PRO 67 N 2.03 4.17 0.05 2.79 0.04 -1.26 -2.65 135.00 140.17 2yry s PRO 67 Ca 0.03 1.98 0.17 0.00 0.04 0.00 0.00 61.00 63.23 2yry s PRO 67 Cb -0.12 -3.92 -0.14 0.00 0.04 0.00 0.00 34.50 30.35 2yry s PRO 67 CO -0.03 -0.83 0.78 1.28 0.04 0.00 0.00 177.00 178.24 2yry n LEU 68 N 7.06 0.80 0.05 -3.56 4.77 -1.26 -3.91 117.00 120.95 2yry n LEU 68 Ca 0.16 0.35 0.03 0.00 -0.03 0.00 0.00 56.01 56.52 2yry n LEU 68 Cb 0.44 0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.77 2yry n LEU 68 CO 0.60 0.15 0.60 0.00 -1.33 0.00 0.00 177.39 177.41 2yry n LEU 69 N -2.86 0.15 -1.30 2.23 -0.00 -1.25 -0.64 117.00 113.33 2yry n LEU 69 Ca -0.10 0.53 -0.09 0.00 -0.00 0.00 0.00 56.01 56.35 2yry n LEU 69 Cb 0.84 -0.54 0.13 0.00 -0.00 0.00 0.00 43.42 43.85 2yry n LEU 69 CO 0.43 -0.58 0.37 -1.54 -0.00 0.00 0.00 177.39 176.07 2yry n SER 70 N -1.68 3.30 -4.17 1.45 3.41 -1.25 -4.24 113.62 110.44 2yry n SER 70 Ca -0.00 -3.83 -0.11 0.00 -0.26 0.00 0.00 58.87 54.66 2yry n SER 70 Cb 0.07 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2yry s PHE 71 N -3.41 1.02 -0.59 7.33 0.40 0.19 -4.36 117.98 118.56 2yry s PHE 71 Ca 0.45 -1.28 0.05 0.00 -0.60 0.00 0.00 56.93 55.55 2yry s PHE 71 Cb 0.40 -0.46 0.17 0.00 0.51 0.00 0.00 43.02 43.64 2yry s PHE 71 CO -0.02 -0.66 0.45 0.54 0.70 0.00 0.00 175.22 176.23 2yry n ARG 72 N -0.25 1.23 -1.64 0.44 1.74 0.29 -4.46 116.66 114.01 2yry n ARG 72 Ca 0.00 -3.99 -0.39 0.00 -0.77 0.00 0.00 57.85 52.71 2yry n ARG 72 Cb 0.65 -2.04 0.04 0.00 -1.02 0.00 0.00 32.46 30.09 2yry n ARG 72 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2yry n VAL 73 N 2.23 3.35 -3.57 1.55 0.31 -1.26 -3.59 118.33 117.36 2yry n VAL 73 Ca 0.24 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 64.01 2yry n VAL 73 Cb 0.40 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.05 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 -1.41 -1.99 0.59 3.52 0.00 -0.88 -4.85 121.76 116.75 2yry s ALA 74 Ca 0.71 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.88 2yry s ALA 74 Cb -0.45 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2yry s ALA 74 CO 0.50 -0.65 1.03 0.00 0.00 0.00 0.00 175.76 176.64 2yry s ALA 75 N -2.67 2.94 0.62 0.00 0.00 -1.26 -0.34 121.76 121.05 2yry s ALA 75 Ca 0.08 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 2yry s ALA 75 Cb -0.01 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2yry s ALA 75 CO -0.06 -0.65 1.04 0.14 0.00 0.00 0.00 175.76 176.23 2yry s VAL 76 N -2.81 4.15 0.29 0.00 -7.23 -0.41 -4.73 120.40 109.66 2yry s VAL 76 Ca 0.59 0.85 0.00 0.00 -1.81 0.00 0.00 61.98 61.61 2yry s VAL 76 Cb -0.12 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 2yry s VAL 76 CO 0.43 -0.76 0.48 -1.10 -0.31 0.00 0.00 175.10 173.84 2yry s GLN 77 N -4.58 3.51 0.00 4.82 -0.21 -1.26 -4.97 119.66 116.97 2yry s GLN 77 Ca 0.60 -0.35 0.14 0.00 0.02 0.00 0.00 55.36 55.76 2yry s GLN 77 Cb -0.13 -2.74 0.81 0.00 1.00 0.00 0.00 33.01 31.94 2yry s GLN 77 CO 0.45 0.26 1.23 -0.35 -2.12 0.00 0.00 175.29 174.76 2yry n PRO 78 N -1.33 0.49 -0.65 2.91 -0.04 -1.26 -2.25 135.00 132.88 2yry n PRO 78 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2yry n PRO 78 Cb 0.55 -1.43 0.16 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.93 1.64 -4.91 3.54 7.64 -1.26 -5.05 113.62 114.28 2yry n SER 79 Ca 0.10 -3.42 -0.22 0.00 1.01 0.00 0.00 58.87 56.35 2yry n SER 79 Cb 0.05 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 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 -2.91 5.00 -0.44 6.43 1.11 -0.95 -5.02 116.67 119.89 2yry s ASP 80 Ca 0.35 -0.84 -0.03 0.00 0.18 0.00 0.00 52.55 52.21 2yry s ASP 80 Cb 0.34 -0.27 0.11 0.00 1.07 0.00 0.00 42.92 44.17 2yry s ASP 80 CO -0.07 -0.83 2.58 -0.46 1.18 0.00 0.00 175.17 177.57 2yry n ASN 81 N -1.69 6.53 -3.97 0.27 0.23 -1.26 -4.83 115.26 110.53 2yry n ASN 81 Ca 0.04 -3.20 -0.31 0.00 -0.53 0.00 0.00 54.58 50.58 2yry n ASN 81 Cb 0.62 -1.19 -0.15 0.00 -2.08 0.00 0.00 39.78 36.98 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2yry s ILE 82 N -2.38 1.75 0.19 1.53 -1.09 -1.26 -5.00 121.20 114.94 2yry s ILE 82 Ca 0.53 -1.48 -0.12 0.00 -2.23 0.00 0.00 60.65 57.36 2yry s ILE 82 Cb 0.36 -2.02 0.11 0.00 -1.58 0.00 0.00 42.46 39.33 2yry s ILE 82 CO -0.17 -0.17 1.83 0.28 -1.23 0.00 0.00 174.94 175.48 2yry h SER 83 N 7.87 0.78 -3.76 3.58 0.02 -2.00 -3.43 113.55 116.61 2yry h SER 83 Ca -0.16 -0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.20 2yry h SER 83 Cb 1.05 -0.20 0.10 0.00 0.14 0.00 0.00 62.40 63.49 2yry h SER 83 CO 0.44 0.60 0.80 -0.13 -1.14 0.00 0.00 176.83 177.40 2yry s ARG 84 N -6.00 4.14 -0.03 3.45 0.52 -1.26 -4.97 118.95 114.80 2yry s ARG 84 Ca -0.13 2.54 -0.01 0.00 -0.52 0.00 0.00 55.73 57.61 2yry s ARG 84 Cb 0.14 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 2yry s ARG 84 CO 0.77 -0.53 0.13 0.87 0.02 0.00 0.00 175.30 176.56 2yry h LYS 85 N 3.58 -0.05 -5.65 3.54 1.57 -1.94 -3.40 116.57 114.22 2yry h LYS 85 Ca -0.50 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.82 2yry h LYS 85 Cb 1.23 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 2yry h LYS 85 CO 0.69 -0.03 1.50 -1.01 -0.57 0.00 0.00 179.45 180.03 2yry s HIS 86 N -1.48 2.28 0.11 -1.35 3.76 -1.26 -4.83 115.29 112.53 2yry s HIS 86 Ca -0.01 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 2yry s HIS 86 Cb 0.00 -4.32 -0.04 0.00 1.11 0.00 0.00 32.58 29.33 2yry s HIS 86 CO 0.02 -1.49 -0.09 0.99 -0.85 0.00 0.00 174.74 173.33 2yry s THR 87 N 8.17 0.92 -0.19 1.30 2.01 -1.26 -1.78 115.64 124.81 2yry s THR 87 Ca 0.62 -1.88 -0.11 0.00 0.31 0.00 0.00 61.69 60.63 2yry s THR 87 Cb 0.01 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 70.95 2yry s THR 87 CO 0.10 -0.74 0.47 0.72 -0.69 0.00 0.00 174.62 174.48 2yry s PHE 88 N -3.16 -0.69 0.09 4.92 -0.71 0.08 -1.28 117.98 117.24 2yry s PHE 88 Ca 0.11 1.46 0.08 0.00 -1.04 0.00 0.00 56.93 57.54 2yry s PHE 88 Cb 0.02 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 2yry s PHE 88 CO -0.02 -0.37 -0.17 -1.59 -1.34 0.00 0.00 175.22 171.74 2yry s LYS 89 N 1.32 1.91 -0.09 1.99 0.00 0.54 -0.71 119.74 124.71 2yry s LYS 89 Ca -0.09 -1.10 0.00 0.00 0.00 0.00 0.00 55.97 54.79 2yry s LYS 89 Cb -0.07 -2.16 -0.03 0.00 0.00 0.00 0.00 37.83 35.57 2yry s LYS 89 CO -0.13 0.50 -0.08 0.00 0.00 0.00 0.00 175.35 175.64 2yry s ALA 90 N -1.10 2.89 0.07 0.59 0.00 0.20 -2.08 121.76 122.34 2yry s ALA 90 Ca 0.18 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2yry s ALA 90 Cb -0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2yry s ALA 90 CO 0.09 0.48 -0.16 -1.83 0.00 0.00 0.00 175.76 174.34 2yry s GLU 91 N -0.48 0.91 0.00 0.00 1.03 -1.24 0.13 118.70 119.06 2yry s GLU 91 Ca 0.07 -0.98 0.06 0.00 0.03 0.00 0.00 54.97 54.15 2yry s GLU 91 Cb -0.12 -0.98 0.03 0.00 -0.80 0.00 0.00 34.13 32.26 2yry s GLU 91 CO 0.02 0.23 0.63 1.58 -1.33 0.00 0.00 175.26 176.39 2yry n HIS 92 N 1.33 0.00 -4.07 4.83 -0.00 -1.11 0.11 115.22 116.30 2yry n HIS 92 Ca -0.20 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.65 2yry n HIS 92 Cb 0.54 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.40 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 0.15 -1.36 0.00 1.57 0.00 -1.26 -4.53 120.51 115.08 2yry n ALA 93 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2yry n ALA 93 Cb 0.14 -3.61 0.00 0.00 0.00 0.00 0.00 19.45 15.98 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 -1.57 0.17 0.25 0.00 0.00 -1.26 -5.05 105.19 97.74 2yry n GLY 94 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.00 0.10 -3.71 1.61 0.31 -1.26 -5.14 118.33 109.24 2yry n VAL 95 Ca 0.00 0.36 -0.03 0.00 -0.01 0.00 0.00 64.34 64.66 2yry n VAL 95 Cb 0.00 -1.43 0.02 0.00 -0.91 0.00 0.00 33.84 31.52 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 -2.62 0.54 -3.82 5.55 1.85 -1.26 -5.05 116.66 111.85 2yry n ARG 96 Ca -0.01 -1.17 -0.29 0.00 -1.00 0.00 0.00 57.85 55.38 2yry n ARG 96 Cb 0.03 1.54 -0.16 0.00 -1.05 0.00 0.00 32.46 32.82 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 -2.25 1.02 0.51 8.89 2.01 -1.26 -2.75 115.64 121.81 2yry s THR 97 Ca 0.15 -1.04 -0.11 0.00 0.31 0.00 0.00 61.69 60.99 2yry s THR 97 Cb -0.02 -1.50 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 2yry s THR 97 CO 0.05 -0.29 0.90 -0.31 -0.69 0.00 0.00 174.62 174.28 2yry s TYR 98 N 1.61 3.53 0.10 4.92 2.02 0.12 -4.84 117.35 124.80 2yry s TYR 98 Ca 0.00 1.18 0.09 0.00 -0.37 0.00 0.00 57.07 57.97 2yry s TYR 98 Cb -0.18 -2.58 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 2yry s TYR 98 CO -0.11 -0.37 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.21 2yry s PHE 99 N -2.73 2.00 -0.22 2.71 0.40 -1.26 0.62 117.98 119.49 2yry s PHE 99 Ca 0.54 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 56.39 2yry s PHE 99 Cb -0.10 -1.11 0.10 0.00 0.51 0.00 0.00 43.02 42.42 2yry s PHE 99 CO 0.40 0.23 0.48 -0.06 0.70 0.00 0.00 175.22 176.97 2yry s PHE 100 N -1.06 -0.94 0.31 0.36 0.08 0.11 -3.62 117.98 113.23 2yry s PHE 100 Ca 0.09 1.74 0.08 0.00 0.12 0.00 0.00 56.93 58.96 2yry s PHE 100 Cb -0.10 0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 42.76 2yry s PHE 100 CO 0.04 -0.53 0.21 0.45 -0.10 0.00 0.00 175.22 175.30 2yry s SER 101 N 2.64 5.14 -0.01 1.36 0.15 -0.94 -0.74 113.70 121.30 2yry s SER 101 Ca -0.03 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.13 2yry s SER 101 Cb -0.12 -1.00 -0.00 0.00 -1.71 0.00 0.00 66.02 63.19 2yry s SER 101 CO -0.14 -0.25 -0.09 0.00 1.20 0.00 0.00 173.24 173.96 2yry s ALA 102 N -2.30 0.75 0.17 5.45 0.00 -0.73 -3.05 121.76 122.05 2yry s ALA 102 Ca 0.38 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 2yry s ALA 102 Cb -0.06 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 22.94 2yry s ALA 102 CO 0.25 0.17 1.64 0.93 0.00 0.00 0.00 175.76 178.74 2yry h GLU 103 N 6.04 -0.12 -6.23 0.00 4.39 -1.87 -3.43 114.58 113.36 2yry h GLU 103 Ca -0.31 0.01 -0.56 0.00 0.34 0.00 0.00 59.36 58.83 2yry h GLU 103 Cb 1.18 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.76 2yry h GLU 103 CO 0.49 -0.08 -0.64 -1.12 -1.16 0.00 0.00 179.01 176.50 2yry s SER 104 N -5.13 4.60 0.41 1.42 0.01 -1.26 -4.96 113.70 108.79 2yry s SER 104 Ca -0.14 -0.60 0.20 0.00 1.31 0.00 0.00 55.95 56.72 2yry s SER 104 Cb 0.14 -0.88 0.87 0.00 0.21 0.00 0.00 66.02 66.36 2yry s SER 104 CO 0.70 0.01 1.83 1.55 0.41 0.00 0.00 173.24 177.74 2yry h PRO 105 N 2.01 0.00 -0.60 12.44 0.13 -1.92 -2.91 132.00 141.15 2yry h PRO 105 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2yry h PRO 105 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2yry h PRO 105 CO 0.60 0.31 0.01 0.93 -0.23 0.00 0.00 178.00 179.62 2yry h GLU 106 N 0.00 1.03 -0.17 0.86 4.39 -1.96 -2.57 114.58 116.16 2yry h GLU 106 Ca -0.00 -0.31 -0.21 0.00 0.34 0.00 0.00 59.36 59.17 2yry h GLU 106 Cb 0.72 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2yry h GLU 106 CO 0.04 1.00 -0.74 0.93 -1.16 0.00 0.00 179.01 179.08 2yry h GLU 107 N 0.95 0.77 0.59 2.33 4.39 -1.93 -2.54 114.58 119.14 2yry h GLU 107 Ca 0.17 -0.60 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 2yry h GLU 107 Cb 0.53 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2yry h GLU 107 CO 0.03 1.21 -0.48 0.37 -1.16 0.00 0.00 179.01 178.98 2yry h GLN 108 N 0.53 -1.00 -0.44 2.33 4.15 -1.40 0.96 115.11 120.25 2yry h GLN 108 Ca -0.04 0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.49 2yry h GLN 108 Cb 1.36 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 29.23 2yry h GLN 108 CO 0.15 -0.67 0.19 1.05 -1.93 0.00 0.00 178.83 177.62 2yry h GLU 109 N -1.04 0.37 -0.22 1.69 4.11 -1.57 -2.03 114.58 115.89 2yry h GLU 109 Ca -0.08 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.38 2yry h GLU 109 Cb 0.87 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 2yry h GLU 109 CO 0.00 0.24 -0.12 0.00 0.07 0.00 0.00 179.01 179.21 2yry h ALA 110 N 1.26 0.07 -0.63 1.06 0.00 -1.27 -1.71 119.26 118.04 2yry h ALA 110 Ca 0.20 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2yry h ALA 110 Cb 0.15 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2yry h ALA 110 CO -0.17 -0.53 0.31 -1.49 0.00 0.00 0.00 179.25 177.36 2yry h TRP 111 N -0.09 0.55 -0.78 0.00 4.06 -0.42 -1.21 115.95 118.06 2yry h TRP 111 Ca 0.12 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.15 2yry h TRP 111 Cb 0.27 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.23 2yry h TRP 111 CO -0.28 0.22 0.51 0.82 -3.56 0.00 0.00 178.44 176.15 2yry h ILE 112 N 0.55 1.08 -0.38 1.49 2.04 -0.66 0.28 117.51 121.90 2yry h ILE 112 Ca 0.30 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.91 2yry h ILE 112 Cb 0.28 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 2yry h ILE 112 CO -0.23 0.16 0.07 1.56 0.00 0.00 0.00 178.15 179.71 2yry h GLN 113 N 0.89 0.19 0.02 2.37 4.20 -0.36 1.21 115.11 123.63 2yry h GLN 113 Ca 0.32 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 2yry h GLN 113 Cb 0.14 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2yry h GLN 113 CO -0.10 0.13 -0.01 0.00 -0.67 0.00 0.00 178.83 178.17 2yry h ALA 114 N 1.29 -0.02 0.77 3.87 0.00 -1.32 -3.15 119.26 120.69 2yry h ALA 114 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2yry h ALA 114 Cb 0.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2yry h ALA 114 CO -0.24 -0.04 -0.37 0.52 0.00 0.00 0.00 179.25 179.11 2yry h MET 115 N -0.97 -1.00 -0.88 0.00 2.86 -0.43 0.20 114.93 114.71 2yry h MET 115 Ca -0.00 0.07 0.21 0.00 -2.06 0.00 0.00 59.70 57.91 2yry h MET 115 Cb 0.66 0.23 -0.16 0.00 0.06 0.00 0.00 31.60 32.39 2yry h MET 115 CO 0.00 -0.66 -0.07 0.78 1.06 0.00 0.00 176.91 178.02 2yry h GLY 116 N -1.12 0.90 0.45 8.32 0.00 0.13 0.29 103.07 112.06 2yry h GLY 116 Ca -0.11 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2yry h GLY 116 CO 0.17 -0.38 -0.22 0.83 0.00 0.00 0.00 176.54 176.95 2yry h GLU 117 N 0.04 -0.59 -0.29 4.80 5.08 -1.50 -2.95 114.58 119.17 2yry h GLU 117 Ca 0.48 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.96 2yry h GLU 117 Cb 0.86 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2yry h GLU 117 CO -0.84 -0.39 0.69 0.00 -1.00 0.00 0.00 179.01 177.47 2yry h ALA 118 N -1.32 1.99 0.08 3.43 0.00 -0.00 0.74 119.26 124.19 2yry h ALA 118 Ca -0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 2yry h ALA 118 Cb 0.47 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.29 2yry h ALA 118 CO 0.10 -0.84 -1.15 0.00 0.00 0.00 0.00 179.25 177.36 2yry h ALA 119 N 0.90 0.13 -1.76 0.00 0.00 -0.35 -3.32 119.26 114.86 2yry h ALA 119 Ca 0.14 -0.78 -0.53 0.00 0.00 0.00 0.00 54.91 53.74 2yry h ALA 119 Cb 1.51 0.05 0.16 0.00 0.00 0.00 0.00 17.79 19.51 2yry h ALA 119 CO -0.00 0.78 -1.02 2.89 0.00 0.00 0.00 179.25 181.91 2yry n ARG 120 N -3.73 0.00 0.03 0.00 1.85 0.26 -3.83 116.66 111.25 2yry n ARG 120 Ca -0.11 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.86 2yry n ARG 120 Cb 0.95 -0.88 0.03 0.00 -1.05 0.00 0.00 32.46 31.51 2yry n ARG 120 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2yry n VAL 121 N -1.33 0.21 0.63 8.89 0.31 -1.26 -4.78 118.33 121.01 2yry n VAL 121 Ca 0.07 -0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.17 2yry n VAL 121 Cb 0.41 0.13 0.30 0.00 -0.91 0.00 0.00 33.84 33.77 2yry n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51