#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 -0.10 -0.22 1.61 0.01 -1.26 -5.15 113.70 108.60 2yry s SER 2 Ca 0.00 0.28 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 2yry s SER 2 Cb 0.00 0.17 0.15 0.00 0.21 0.00 0.00 66.02 66.55 2yry s SER 2 CO 0.00 -0.14 1.12 -0.55 0.41 0.00 0.00 173.24 174.08 2yry s SER 3 N 1.08 -0.28 0.00 2.44 0.15 -1.26 -5.11 113.70 110.72 2yry s SER 3 Ca -0.08 0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2yry s SER 3 Cb -0.11 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2yry s SER 3 CO -0.05 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2yry n GLY 4 N 0.98 -1.25 3.21 9.45 0.00 -1.26 -5.16 105.19 111.17 2yry n GLY 4 Ca -0.08 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 2yry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yry s SER 5 N 0.00 3.47 -0.30 1.61 1.04 -1.26 -5.09 113.70 113.17 2yry s SER 5 Ca 0.00 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 2yry s SER 5 Cb 0.00 -1.53 0.14 0.00 0.10 0.00 0.00 66.02 64.73 2yry s SER 5 CO 0.00 0.05 0.78 -0.55 0.98 0.00 0.00 173.24 174.50 2yry s SER 6 N 1.00 -0.93 0.00 7.02 0.15 -1.26 -5.15 113.70 114.52 2yry s SER 6 Ca -0.02 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2yry s SER 6 Cb -0.15 2.06 0.00 0.00 -1.71 0.00 0.00 66.02 66.22 2yry s SER 6 CO -0.04 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2yry n GLY 7 N 5.27 1.07 0.00 9.45 0.00 -1.26 -5.07 105.19 114.65 2yry n GLY 7 Ca -0.11 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2yry n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yry n GLY 8 N 1.01 -1.10 3.99 -0.02 0.00 -1.26 -4.98 105.19 102.84 2yry n GLY 8 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 46.02 46.66 2yry n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yry n LYS 9 N 0.00 -4.44 -0.78 1.61 5.02 -1.26 -4.83 118.16 113.48 2yry n LYS 9 Ca 0.00 0.51 -0.14 0.00 -2.02 0.00 0.00 58.31 56.66 2yry n LYS 9 Cb 0.00 -5.20 0.04 0.00 -0.02 0.00 0.00 35.03 29.85 2yry n LYS 9 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2yry n ARG 10 N -4.51 1.67 0.04 1.97 0.63 -1.26 -4.41 116.66 110.79 2yry n ARG 10 Ca -0.04 -1.35 -0.10 0.00 -0.92 0.00 0.00 57.85 55.44 2yry n ARG 10 Cb 0.56 -1.53 -0.08 0.00 0.45 0.00 0.00 32.46 31.86 2yry n ARG 10 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2yry h SER 11 N 1.22 -0.16 -0.73 6.15 0.87 -2.02 -3.30 113.55 115.58 2yry h SER 11 Ca 0.26 -0.38 0.18 0.00 -1.23 0.00 0.00 61.79 60.61 2yry h SER 11 Cb 1.09 0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 62.95 2yry h SER 11 CO 0.63 0.42 -0.07 0.00 -0.53 0.00 0.00 176.83 177.28 2yry n HIS 12 N -4.89 0.37 -3.64 2.24 -0.00 -1.26 -4.48 115.22 103.56 2yry n HIS 12 Ca -0.07 0.88 -0.05 0.00 -0.00 0.00 0.00 57.72 58.48 2yry n HIS 12 Cb 0.26 -0.99 -0.07 0.00 -0.00 0.00 0.00 29.99 29.20 2yry n HIS 12 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2yry s SER 13 N -5.09 -0.55 0.54 4.39 1.04 -1.24 -5.18 113.70 107.62 2yry s SER 13 Ca -0.10 0.92 -0.02 0.00 0.48 0.00 0.00 55.95 57.23 2yry s SER 13 Cb 0.21 1.14 0.02 0.00 0.10 0.00 0.00 66.02 67.48 2yry s SER 13 CO 0.57 -0.15 0.79 -0.04 0.98 0.00 0.00 173.24 175.39 2yry s MET 14 N 1.05 2.80 -0.10 4.02 1.00 -1.25 -4.87 119.30 121.95 2yry s MET 14 Ca -0.06 -0.42 -0.18 0.00 0.00 0.00 0.00 55.69 55.03 2yry s MET 14 Cb -0.04 -2.43 0.04 0.00 0.00 0.00 0.00 34.83 32.40 2yry s MET 14 CO -0.13 -0.60 0.46 0.15 0.00 0.00 0.00 175.02 174.90 2yry s LYS 15 N -4.79 0.68 -0.27 2.03 1.02 -1.26 -4.94 119.74 112.21 2yry s LYS 15 Ca 0.53 0.32 -0.14 0.00 0.02 0.00 0.00 55.97 56.71 2yry s LYS 15 Cb -0.10 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 2yry s LYS 15 CO 0.41 -0.15 0.31 0.50 -0.92 0.00 0.00 175.35 175.50 2yry s ARG 16 N -0.50 4.01 0.32 1.68 3.52 -1.26 -5.07 118.95 121.65 2yry s ARG 16 Ca -0.06 -0.06 -0.27 0.00 -0.13 0.00 0.00 55.73 55.20 2yry s ARG 16 Cb -0.03 -3.65 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 2yry s ARG 16 CO 0.03 -0.22 0.99 -0.80 -0.81 0.00 0.00 175.30 174.49 2yry s ASN 17 N 1.62 7.25 0.20 -2.12 0.01 -1.26 -4.97 114.94 115.66 2yry s ASN 17 Ca 0.13 1.97 -0.04 0.00 -0.71 0.00 0.00 52.86 54.20 2yry s ASN 17 Cb -0.16 -2.59 0.13 0.00 0.41 0.00 0.00 41.25 39.04 2yry s ASN 17 CO 0.10 -0.14 1.55 1.55 -1.51 0.00 0.00 177.10 178.65 2yry h PRO 18 N 3.29 0.68 -0.79 -0.60 0.13 -2.03 -3.14 132.00 129.54 2yry h PRO 18 Ca -0.47 -0.36 -0.04 0.00 -0.87 0.00 0.00 66.00 64.26 2yry h PRO 18 Cb 1.20 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2yry h PRO 18 CO 0.65 0.96 0.32 -2.95 -0.23 0.00 0.00 178.00 176.76 2yry h ASN 19 N 0.56 1.09 -2.30 1.44 7.08 -2.05 -3.43 115.58 117.96 2yry h ASN 19 Ca 0.05 -0.16 -0.58 0.00 -3.08 0.00 0.00 56.30 52.52 2yry h ASN 19 Cb 0.94 -0.28 0.06 0.00 -2.08 0.00 0.00 38.32 36.95 2yry h ASN 19 CO 0.09 0.96 0.83 0.00 -2.08 0.00 0.00 177.43 177.22 2yry n ALA 20 N -2.43 1.47 -2.14 4.14 0.00 -1.19 -4.92 120.51 115.45 2yry n ALA 20 Ca 0.07 0.44 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 2yry n ALA 20 Cb 0.18 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 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 1.05 4.36 -0.11 0.00 0.04 -1.26 -4.94 135.00 134.13 2yry s PRO 21 Ca 0.79 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.57 2yry s PRO 21 Cb -0.66 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 2yry s PRO 21 CO 0.38 -0.35 1.74 0.54 0.04 0.00 0.00 177.00 179.35 2yry s VAL 22 N 0.75 3.48 0.01 -0.36 0.11 -1.26 -4.56 120.40 118.56 2yry s VAL 22 Ca 0.61 0.56 -0.17 0.00 -2.93 0.00 0.00 61.98 60.05 2yry s VAL 22 Cb -0.36 -3.43 -0.09 0.00 -1.53 0.00 0.00 36.38 30.97 2yry s VAL 22 CO 0.33 -0.13 0.95 0.74 -3.33 0.00 0.00 175.10 173.66 2yry h THR 23 N 5.94 0.00 -2.75 5.04 2.02 -0.09 -3.47 112.91 119.60 2yry h THR 23 Ca -0.39 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.46 2yry h THR 23 Cb 1.18 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 67.33 2yry h THR 23 CO 0.97 0.00 -0.31 -0.75 0.37 0.00 0.00 175.52 175.80 2yry s LYS 24 N -3.82 0.39 0.05 6.66 2.20 -1.12 -4.98 119.74 119.12 2yry s LYS 24 Ca -0.09 0.67 0.05 0.00 -0.36 0.00 0.00 55.97 56.24 2yry s LYS 24 Cb 0.01 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2yry s LYS 24 CO 0.26 -0.12 -0.14 0.00 -0.36 0.00 0.00 175.35 174.99 2yry s ALA 25 N 0.96 1.21 0.00 3.13 0.00 -1.26 0.22 121.76 126.02 2yry s ALA 25 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2yry s ALA 25 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2yry s ALA 25 CO -0.08 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.31 2yry n GLY 26 N 1.71 1.13 3.62 0.00 0.00 -0.67 -5.02 105.19 105.96 2yry n GLY 26 Ca -0.19 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 2.64 0.42 1.61 0.52 -1.26 -1.83 118.94 119.03 2yry s TRP 27 Ca 0.00 0.81 0.07 0.00 0.02 0.00 0.00 56.10 56.99 2yry s TRP 27 Cb 0.00 -4.09 -0.08 0.00 -1.15 0.00 0.00 33.47 28.16 2yry s TRP 27 CO 0.00 -1.68 0.01 -0.51 0.02 0.00 0.00 176.95 174.79 2yry s LEU 28 N 4.67 2.84 -0.24 2.99 1.43 -1.04 -4.68 118.68 124.65 2yry s LEU 28 Ca 0.56 -1.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 2yry s LEU 28 Cb -0.14 -0.89 0.04 0.00 0.03 0.00 0.00 46.19 45.23 2yry s LEU 28 CO 0.27 -0.48 -0.11 -0.36 0.23 0.00 0.00 176.35 175.90 2yry s PHE 29 N -2.72 3.08 -0.20 0.29 0.40 -1.07 -1.54 117.98 116.23 2yry s PHE 29 Ca 0.33 -1.85 -0.18 0.00 -0.60 0.00 0.00 56.93 54.62 2yry s PHE 29 Cb 0.09 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 2yry s PHE 29 CO 0.17 -0.80 0.51 0.21 0.70 0.00 0.00 175.22 176.01 2yry s LYS 30 N 1.24 4.20 0.77 0.44 2.20 0.71 -2.21 119.74 127.09 2yry s LYS 30 Ca -0.02 0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.86 2yry s LYS 30 Cb -0.17 -3.55 0.05 0.00 -1.51 0.00 0.00 37.83 32.64 2yry s LYS 30 CO -0.07 -0.13 1.10 0.94 -0.36 0.00 0.00 175.35 176.83 2yry n GLN 31 N 4.72 0.36 -1.11 4.03 7.27 -1.22 -1.18 117.38 130.26 2yry n GLN 31 Ca -0.05 0.19 -0.18 0.00 0.07 0.00 0.00 57.00 57.03 2yry n GLN 31 Cb 0.50 -2.35 -0.05 0.00 2.41 0.00 0.00 30.24 30.75 2yry n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yry n ALA 32 N -2.91 5.81 -0.44 1.69 0.00 -0.01 -4.66 120.51 119.98 2yry n ALA 32 Ca 0.13 -2.05 0.37 0.00 0.00 0.00 0.00 53.44 51.89 2yry n ALA 32 Cb 0.50 -1.86 0.65 0.00 0.00 0.00 0.00 19.45 18.75 2yry n ALA 32 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2yry h SER 33 N 2.37 0.24 -0.78 0.00 0.02 -1.86 -1.15 113.55 112.39 2yry h SER 33 Ca 0.27 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.45 2yry h SER 33 Cb 0.99 0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.59 2yry h SER 33 CO 0.59 -0.24 -0.46 -1.20 -1.14 0.00 0.00 176.83 174.39 2yry n SER 34 N -4.78 -0.83 0.00 3.07 7.64 -1.26 -4.82 113.62 112.65 2yry n SER 34 Ca 0.38 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.66 2yry n SER 34 Cb 1.46 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 2yry n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yry n GLY 35 N -1.19 -1.23 3.11 0.23 0.00 -0.44 -5.14 105.19 100.53 2yry n GLY 35 Ca 0.02 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 2yry n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yry n VAL 36 N -0.19 0.00 -3.31 1.61 0.24 -1.26 -4.89 118.33 110.53 2yry n VAL 36 Ca 0.00 -0.41 -0.45 0.00 -2.04 0.00 0.00 64.34 61.43 2yry n VAL 36 Cb 0.00 -0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 2yry n VAL 36 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2yry s LYS 37 N -2.42 3.00 0.21 7.34 2.47 -1.26 -4.56 119.74 124.51 2yry s LYS 37 Ca 0.44 -1.57 -0.15 0.00 -1.56 0.00 0.00 55.97 53.14 2yry s LYS 37 Cb -0.18 -4.25 0.05 0.00 -1.46 0.00 0.00 37.83 31.99 2yry s LYS 37 CO 0.79 -1.27 0.72 0.00 0.16 0.00 0.00 175.35 175.75 2yry n GLN 38 N 5.36 0.67 -4.40 4.03 10.64 -1.26 -5.02 117.38 127.39 2yry n GLN 38 Ca -0.13 -1.40 -0.20 0.00 -1.83 0.00 0.00 57.00 53.44 2yry n GLN 38 Cb 0.41 1.82 -0.15 0.00 -0.86 0.00 0.00 30.24 31.46 2yry n GLN 38 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2yry s TRP 39 N -3.28 0.97 -0.18 2.61 0.52 -1.26 -0.83 118.94 117.49 2yry s TRP 39 Ca 0.15 -0.24 -0.02 0.00 0.02 0.00 0.00 56.10 56.01 2yry s TRP 39 Cb -0.03 -0.69 -0.01 0.00 -1.15 0.00 0.00 33.47 31.59 2yry s TRP 39 CO 0.06 -0.10 -0.08 -0.80 0.02 0.00 0.00 176.95 176.05 2yry s ASN 40 N 0.19 4.18 -0.50 2.95 0.01 -0.32 -4.93 114.94 116.52 2yry s ASN 40 Ca -0.03 -0.36 -0.24 0.00 -0.71 0.00 0.00 52.86 51.52 2yry s ASN 40 Cb -0.09 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 39.92 2yry s ASN 40 CO 0.00 0.06 0.88 -0.75 -1.51 0.00 0.00 177.10 175.78 2yry s LYS 41 N 0.98 3.40 0.16 -0.60 2.20 -1.26 -0.21 119.74 124.40 2yry s LYS 41 Ca -0.01 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.53 2yry s LYS 41 Cb -0.15 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 2yry s LYS 41 CO -0.00 -1.30 -0.12 1.03 -0.36 0.00 0.00 175.35 174.60 2yry s ARG 42 N 3.65 1.14 -0.18 4.03 1.81 -0.59 -4.99 118.95 123.82 2yry s ARG 42 Ca 0.31 -1.46 -0.29 0.00 -1.72 0.00 0.00 55.73 52.58 2yry s ARG 42 Cb -0.12 -0.85 -0.02 0.00 -0.45 0.00 0.00 34.95 33.51 2yry s ARG 42 CO 0.22 0.13 1.36 -0.46 -0.68 0.00 0.00 175.30 175.87 2yry s TRP 43 N -2.97 2.62 -0.08 -0.53 -0.00 -0.98 -2.50 118.94 114.51 2yry s TRP 43 Ca 0.17 0.82 -0.05 0.00 -0.00 0.00 0.00 56.10 57.04 2yry s TRP 43 Cb -0.00 -3.69 -0.04 0.00 -0.00 0.00 0.00 33.47 29.74 2yry s TRP 43 CO 0.03 -2.11 0.13 -0.06 -0.00 0.00 0.00 176.95 174.94 2yry s PHE 44 N 3.93 3.52 -0.06 5.86 0.40 -0.76 -0.38 117.98 130.49 2yry s PHE 44 Ca 0.59 0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 57.33 2yry s PHE 44 Cb -0.22 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.46 2yry s PHE 44 CO 0.20 0.68 0.13 0.08 0.70 0.00 0.00 175.22 177.01 2yry s VAL 45 N -1.10 -0.08 -0.34 -0.44 1.01 0.92 -1.67 120.40 118.69 2yry s VAL 45 Ca 0.18 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2yry s VAL 45 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2yry s VAL 45 CO 0.08 0.09 0.19 -0.22 0.00 0.00 0.00 175.10 175.24 2yry s LEU 46 N 1.35 4.42 -0.03 3.92 2.96 0.13 0.08 118.68 131.52 2yry s LEU 46 Ca -0.07 -0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 2yry s LEU 46 Cb -0.12 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2yry s LEU 46 CO -0.06 -0.27 0.08 -0.69 -1.32 0.00 0.00 176.35 174.09 2yry s VAL 47 N 1.62 -0.02 -1.18 1.68 1.01 0.03 0.71 120.40 124.25 2yry s VAL 47 Ca 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 2yry s VAL 47 Cb -0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2yry s VAL 47 CO 0.07 0.03 0.86 -0.67 0.00 0.00 0.00 175.10 175.40 2yry n ASP 48 N 3.49 -3.50 -2.32 3.32 2.03 -1.26 -1.43 116.55 116.88 2yry n ASP 48 Ca -0.18 -0.76 -0.06 0.00 0.52 0.00 0.00 54.79 54.31 2yry n ASP 48 Cb 0.56 -4.61 -0.01 0.00 -0.72 0.00 0.00 41.12 36.34 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 -3.92 -2.44 -4.15 -0.67 1.74 -1.26 -4.89 116.66 101.07 2yry n ARG 49 Ca -0.21 0.31 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 2yry n ARG 49 Cb 0.65 -4.82 -0.11 0.00 -1.02 0.00 0.00 32.46 27.16 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 -2.12 3.90 -0.09 0.00 0.20 -1.08 -0.79 118.68 118.71 2yry s LEU 51 Ca 0.01 0.13 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 2yry s LEU 51 Cb -0.06 -1.98 0.03 0.00 -0.43 0.00 0.00 46.19 43.75 2yry s LEU 51 CO 0.01 0.21 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.89 2yry s PHE 52 N 0.19 0.97 -0.22 5.38 0.08 0.11 -2.01 117.98 122.48 2yry s PHE 52 Ca 0.05 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.65 2yry s PHE 52 Cb -0.12 -0.96 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 2yry s PHE 52 CO 0.00 -0.40 0.01 1.52 -0.10 0.00 0.00 175.22 176.25 2yry s TYR 53 N 1.87 3.04 0.08 0.36 -0.85 -1.25 -0.06 117.35 120.54 2yry s TYR 53 Ca 0.05 -0.51 0.03 0.00 -0.52 0.00 0.00 57.07 56.11 2yry s TYR 53 Cb -0.12 -2.13 -0.04 0.00 0.38 0.00 0.00 41.96 40.05 2yry s TYR 53 CO -0.06 -0.31 0.08 0.71 -1.52 0.00 0.00 175.55 174.44 2yry s TYR 54 N 1.23 3.18 0.50 -3.49 1.51 0.49 -3.20 117.35 117.57 2yry s TYR 54 Ca 0.04 0.08 0.36 0.00 -1.01 0.00 0.00 57.07 56.53 2yry s TYR 54 Cb -0.15 -1.62 1.50 0.00 -0.11 0.00 0.00 41.96 41.59 2yry s TYR 54 CO 0.01 0.52 1.70 1.57 -1.11 0.00 0.00 175.55 178.25 2yry h LYS 55 N 3.34 0.08 0.00 -0.62 2.10 -1.86 -2.59 116.57 117.01 2yry h LYS 55 Ca -0.47 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.08 2yry h LYS 55 Cb 1.16 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2yry h LYS 55 CO 0.65 0.05 0.01 -0.25 -2.00 0.00 0.00 179.45 177.91 2yry n ASP 56 N -4.31 -0.89 0.21 7.07 8.00 -1.26 -4.51 116.55 120.86 2yry n ASP 56 Ca 0.33 -1.93 0.07 0.00 0.71 0.00 0.00 54.79 53.97 2yry n ASP 56 Cb 1.42 1.58 0.45 0.00 -0.02 0.00 0.00 41.12 44.55 2yry n ASP 56 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2yry h GLU 57 N 0.00 0.00 -0.74 -1.24 4.57 -1.93 -2.92 114.58 112.32 2yry h GLU 57 Ca -0.15 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.24 2yry h GLU 57 Cb 0.63 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 2yry h GLU 57 CO 0.20 0.29 0.68 0.87 -1.18 0.00 0.00 179.01 179.88 2yry h LYS 58 N 0.00 0.00 -6.20 1.92 1.57 -1.96 -3.45 116.57 108.45 2yry h LYS 58 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.34 2yry h LYS 58 Cb 0.69 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.04 2yry h LYS 58 CO 0.04 0.00 -0.88 0.39 -0.57 0.00 0.00 179.45 178.43 2yry n GLU 59 N -3.82 -3.15 0.06 3.15 1.02 -1.10 -4.94 120.64 111.86 2yry n GLU 59 Ca 0.15 0.52 -0.03 0.00 -0.02 0.00 0.00 57.16 57.79 2yry n GLU 59 Cb 0.94 -4.71 -0.01 0.00 -0.02 0.00 0.00 31.44 27.64 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 -1.82 -0.19 -4.65 3.49 5.08 -1.87 -3.47 114.58 111.14 2yry h GLU 60 Ca -0.63 0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 57.39 2yry h GLU 60 Cb 1.36 0.04 -0.26 0.00 0.50 0.00 0.00 28.75 30.39 2yry h GLU 60 CO 0.55 -0.13 -0.76 0.45 -1.00 0.00 0.00 179.01 178.11 2yry s SER 61 N -4.16 0.96 -0.21 1.42 0.15 -1.26 -5.11 113.70 105.49 2yry s SER 61 Ca -0.03 -0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.06 2yry s SER 61 Cb 0.00 -0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.23 2yry s SER 61 CO 0.09 0.02 1.49 -0.63 1.20 0.00 0.00 173.24 175.40 2yry s ILE 62 N -0.53 3.89 0.01 6.45 1.01 -1.26 -4.48 121.20 126.28 2yry s ILE 62 Ca -0.00 1.02 -0.20 0.00 0.00 0.00 0.00 60.65 61.47 2yry s ILE 62 Cb -0.05 -3.84 -0.21 0.00 0.01 0.00 0.00 42.46 38.38 2yry s ILE 62 CO 0.00 -0.29 1.15 -0.07 0.00 0.00 0.00 174.94 175.74 2yry h LEU 63 N 11.00 0.45 -6.55 2.97 3.38 -1.94 -3.45 115.31 121.17 2yry h LEU 63 Ca -0.31 -0.69 0.06 0.00 0.09 0.00 0.00 57.88 57.02 2yry h LEU 63 Cb 1.13 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 2yry h LEU 63 CO 1.00 1.07 -0.23 -0.83 0.09 0.00 0.00 178.44 179.54 2yry s GLY 64 N -3.89 -0.79 0.01 0.83 0.00 -1.25 -5.10 107.32 97.12 2yry s GLY 64 Ca -0.14 1.98 -0.18 0.00 0.00 0.00 0.00 44.72 46.38 2yry s GLY 64 CO 0.79 3.12 0.52 -1.35 0.00 0.00 0.00 173.10 176.19 2yry s SER 65 N 2.84 6.92 -0.16 1.64 1.04 -1.26 -3.91 113.70 120.81 2yry s SER 65 Ca 0.07 1.10 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 2yry s SER 65 Cb -0.13 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.70 2yry s SER 65 CO -0.19 0.20 -0.04 -0.63 0.98 0.00 0.00 173.24 173.56 2yry s ILE 66 N -0.61 1.04 -0.10 -1.02 1.01 -0.85 -4.97 121.20 115.69 2yry s ILE 66 Ca 0.28 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 2yry s ILE 66 Cb -0.18 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2yry s ILE 66 CO 0.16 0.12 1.53 -2.16 0.00 0.00 0.00 174.94 174.59 2yry s PRO 67 N 1.67 4.16 -0.01 2.79 0.04 -1.26 -2.63 135.00 139.76 2yry s PRO 67 Ca 0.01 1.97 0.18 0.00 0.04 0.00 0.00 61.00 63.20 2yry s PRO 67 Cb -0.15 -3.92 -0.19 0.00 0.04 0.00 0.00 34.50 30.28 2yry s PRO 67 CO -0.08 -0.84 0.61 1.28 0.04 0.00 0.00 177.00 178.01 2yry n LEU 68 N 7.09 0.53 0.19 -3.56 4.77 -1.26 -4.07 117.00 120.69 2yry n LEU 68 Ca 0.16 0.23 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 2yry n LEU 68 Cb 0.44 0.15 0.44 0.00 -2.33 0.00 0.00 43.42 42.11 2yry n LEU 68 CO 0.61 0.19 0.85 0.25 -1.33 0.00 0.00 177.39 177.95 2yry h LEU 69 N 0.00 0.00 -3.32 2.23 5.85 -1.65 0.46 115.31 118.87 2yry h LEU 69 Ca -0.21 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.28 2yry h LEU 69 Cb 1.61 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.47 2yry h LEU 69 CO 0.03 0.00 -0.54 -1.20 -0.34 0.00 0.00 178.44 176.39 2yry n SER 70 N -2.19 3.06 -3.90 1.25 7.64 -1.25 -4.63 113.62 113.59 2yry n SER 70 Ca -0.01 -3.84 -0.18 0.00 1.01 0.00 0.00 58.87 55.85 2yry n SER 70 Cb 0.32 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.38 1.55 -0.41 1.43 0.40 0.16 -4.46 117.98 113.27 2yry s PHE 71 Ca 0.44 -1.43 0.01 0.00 -0.60 0.00 0.00 56.93 55.35 2yry s PHE 71 Cb 0.39 -0.78 0.14 0.00 0.51 0.00 0.00 43.02 43.28 2yry s PHE 71 CO -0.02 -0.61 0.24 0.50 0.70 0.00 0.00 175.22 176.02 2yry s ARG 72 N -3.80 1.02 0.49 0.44 6.06 0.47 -4.11 118.95 119.52 2yry s ARG 72 Ca 0.37 -1.78 -0.23 0.00 -2.50 0.00 0.00 55.73 51.59 2yry s ARG 72 Cb 0.05 -1.95 -0.07 0.00 0.06 0.00 0.00 34.95 33.04 2yry s ARG 72 CO 0.19 -1.19 1.24 0.08 -2.50 0.00 0.00 175.30 173.11 2yry s VAL 73 N 0.58 2.73 -0.29 7.11 1.01 -1.26 -2.61 120.40 127.67 2yry s VAL 73 Ca 0.18 0.55 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 2yry s VAL 73 Cb -0.23 -3.28 0.14 0.00 0.00 0.00 0.00 36.38 33.01 2yry s VAL 73 CO -0.00 -0.00 1.03 0.00 0.00 0.00 0.00 175.10 176.13 2yry s ALA 74 N -1.45 -2.15 0.27 5.51 0.00 -0.68 -4.84 121.76 118.43 2yry s ALA 74 Ca 0.66 2.03 -0.29 0.00 0.00 0.00 0.00 51.96 54.37 2yry s ALA 74 Cb -0.33 -1.61 -0.14 0.00 0.00 0.00 0.00 23.12 21.04 2yry s ALA 74 CO 0.40 -0.28 1.08 0.00 0.00 0.00 0.00 175.76 176.96 2yry n ALA 75 N 2.95 -0.07 -0.65 0.00 0.00 -1.26 -0.95 120.51 120.52 2yry n ALA 75 Ca -0.15 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 2yry n ALA 75 Cb 0.57 -2.06 0.18 0.00 0.00 0.00 0.00 19.45 18.14 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 0.52 0.00 -4.32 0.00 0.24 -0.08 -4.69 118.33 110.00 2yry n VAL 76 Ca 0.10 -0.31 -0.24 0.00 -2.04 0.00 0.00 64.34 61.85 2yry n VAL 76 Cb 0.31 -0.69 -0.08 0.00 -1.47 0.00 0.00 33.84 31.92 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 -3.66 2.14 0.00 7.34 -0.21 -1.26 -5.01 119.66 119.00 2yry s GLN 77 Ca 0.59 -1.44 0.15 0.00 0.02 0.00 0.00 55.36 54.68 2yry s GLN 77 Cb -0.16 -2.10 0.87 0.00 1.00 0.00 0.00 33.01 32.63 2yry s GLN 77 CO 0.66 0.38 1.37 -0.35 -2.12 0.00 0.00 175.29 175.22 2yry n PRO 78 N -0.64 0.40 -0.00 2.91 -0.04 -1.26 -1.89 135.00 134.48 2yry n PRO 78 Ca -0.07 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 2yry n PRO 78 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.09 0.92 -4.81 3.54 7.64 -1.26 -5.00 113.62 113.56 2yry n SER 79 Ca 0.10 -0.62 -0.32 0.00 1.01 0.00 0.00 58.87 59.04 2yry n SER 79 Cb 0.07 1.17 0.03 0.00 -1.01 0.00 0.00 64.21 64.48 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 -2.70 5.54 -0.20 6.43 1.11 -0.79 -4.92 116.67 121.13 2yry s ASP 80 Ca 0.03 1.75 -0.03 0.00 0.18 0.00 0.00 52.55 54.47 2yry s ASP 80 Cb 0.10 -2.52 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 2yry s ASP 80 CO 0.59 -1.33 2.77 0.59 1.18 0.00 0.00 175.17 178.98 2yry n ASN 81 N -2.53 5.88 -4.05 0.27 4.13 -1.26 -4.74 115.26 112.96 2yry n ASN 81 Ca 0.08 -2.81 -0.34 0.00 1.68 0.00 0.00 54.58 53.19 2yry n ASN 81 Cb 0.53 -1.24 -0.10 0.00 -1.54 0.00 0.00 39.78 37.42 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2yry s ILE 82 N -0.81 3.47 0.48 2.41 -1.09 -1.26 -4.93 121.20 119.46 2yry s ILE 82 Ca 0.46 -3.22 0.32 0.00 -2.23 0.00 0.00 60.65 55.98 2yry s ILE 82 Cb 0.27 -3.28 0.52 0.00 -1.58 0.00 0.00 42.46 38.39 2yry s ILE 82 CO -0.07 -0.89 1.72 0.28 -1.23 0.00 0.00 174.94 174.75 2yry h SER 83 N 6.70 0.18 -4.02 3.58 0.02 -1.99 -3.40 113.55 114.62 2yry h SER 83 Ca -0.00 0.06 -0.49 0.00 -0.84 0.00 0.00 61.79 60.51 2yry h SER 83 Cb 0.91 0.04 0.18 0.00 0.14 0.00 0.00 62.40 63.67 2yry h SER 83 CO 0.72 -0.02 0.19 -0.13 -1.14 0.00 0.00 176.83 176.45 2yry s ARG 84 N -5.17 0.79 -0.08 3.45 0.52 -1.26 -5.01 118.95 112.19 2yry s ARG 84 Ca -0.07 1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 56.25 2yry s ARG 84 Cb 0.26 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.96 2yry s ARG 84 CO 0.82 -2.68 -0.21 1.63 0.02 0.00 0.00 175.30 174.89 2yry n LYS 85 N -4.23 0.32 -1.30 3.54 5.02 -1.26 -4.74 118.16 115.51 2yry n LYS 85 Ca 0.09 0.13 -0.37 0.00 -2.02 0.00 0.00 58.31 56.13 2yry n LYS 85 Cb 0.53 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 2yry n LYS 85 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2yry n HIS 86 N -4.02 2.46 -4.41 2.13 8.25 -1.26 -4.84 115.22 113.54 2yry n HIS 86 Ca -0.12 -2.65 -0.20 0.00 -0.26 0.00 0.00 57.72 54.49 2yry n HIS 86 Cb 0.37 -2.24 -0.14 0.00 1.12 0.00 0.00 29.99 29.11 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 3.13 1.00 -0.06 1.59 2.01 -1.26 -0.84 115.64 121.20 2yry s THR 87 Ca 0.55 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.80 2yry s THR 87 Cb 0.15 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.78 2yry s THR 87 CO -0.04 0.10 -0.14 0.72 -0.69 0.00 0.00 174.62 174.57 2yry s PHE 88 N -0.63 1.55 -0.17 4.92 -0.71 0.68 -0.90 117.98 122.73 2yry s PHE 88 Ca 0.02 -0.54 -0.08 0.00 -1.04 0.00 0.00 56.93 55.29 2yry s PHE 88 Cb -0.06 -1.10 -0.04 0.00 -1.21 0.00 0.00 43.02 40.60 2yry s PHE 88 CO 0.00 -0.25 0.11 -1.59 -1.34 0.00 0.00 175.22 172.15 2yry s LYS 89 N 0.46 3.86 -0.18 1.99 -2.85 -0.12 -1.61 119.74 121.29 2yry s LYS 89 Ca -0.12 -0.24 -0.03 0.00 -1.00 0.00 0.00 55.97 54.59 2yry s LYS 89 Cb -0.14 -3.27 -0.02 0.00 -2.06 0.00 0.00 37.83 32.34 2yry s LYS 89 CO 0.04 0.45 -0.06 0.00 0.10 0.00 0.00 175.35 175.88 2yry s ALA 90 N -0.10 2.84 0.03 0.59 0.00 -0.21 -1.68 121.76 123.23 2yry s ALA 90 Ca 0.09 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.13 2yry s ALA 90 Cb -0.12 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 2yry s ALA 90 CO 0.00 -0.08 -0.20 -1.83 0.00 0.00 0.00 175.76 173.66 2yry s GLU 91 N 0.88 1.44 -0.00 0.00 -1.05 -1.07 0.50 118.70 119.40 2yry s GLU 91 Ca -0.01 -0.87 0.14 0.00 -0.15 0.00 0.00 54.97 54.09 2yry s GLU 91 Cb -0.15 -1.50 -0.16 0.00 -0.44 0.00 0.00 34.13 31.88 2yry s GLU 91 CO 0.01 0.39 0.59 1.58 0.95 0.00 0.00 175.26 178.78 2yry n HIS 92 N 2.07 0.00 -3.00 4.83 -0.00 -1.22 0.18 115.22 118.09 2yry n HIS 92 Ca -0.17 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.34 2yry n HIS 92 Cb 0.53 -0.03 0.04 0.00 -0.00 0.00 0.00 29.99 30.53 2yry n HIS 92 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2yry n ALA 93 N -1.40 -0.94 0.00 1.57 0.00 -1.26 -4.68 120.51 113.80 2yry n ALA 93 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2yry n ALA 93 Cb 0.24 -3.81 0.00 0.00 0.00 0.00 0.00 19.45 15.88 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 -1.51 0.22 0.21 0.00 0.00 -1.26 -5.05 105.19 97.81 2yry n GLY 94 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.51 0.00 -3.79 1.61 0.31 -1.26 -5.14 118.33 108.55 2yry n VAL 95 Ca 0.00 0.32 -0.03 0.00 -0.01 0.00 0.00 64.34 64.62 2yry n VAL 95 Cb 0.00 -1.30 -0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2yry n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yry s ARG 96 N -0.86 1.23 -0.23 5.55 1.70 -1.26 -5.06 118.95 120.02 2yry s ARG 96 Ca 0.00 -0.72 -0.02 0.00 -0.47 0.00 0.00 55.73 54.52 2yry s ARG 96 Cb 0.00 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 2yry s ARG 96 CO 0.00 -0.57 -0.08 0.99 -1.08 0.00 0.00 175.30 174.57 2yry s THR 97 N -2.87 2.92 0.67 4.99 2.01 -1.26 -3.38 115.64 118.71 2yry s THR 97 Ca 0.15 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2yry s THR 97 Cb -0.02 -2.39 0.07 0.00 0.01 0.00 0.00 72.50 70.17 2yry s THR 97 CO 0.03 0.33 0.95 -0.31 -0.69 0.00 0.00 174.62 174.93 2yry s TYR 98 N 1.37 2.63 0.00 4.92 1.51 0.18 -4.87 117.35 123.10 2yry s TYR 98 Ca 0.03 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 2yry s TYR 98 Cb -0.15 -3.06 -0.00 0.00 -0.11 0.00 0.00 41.96 38.63 2yry s TYR 98 CO -0.05 -1.33 -0.02 -0.06 -1.11 0.00 0.00 175.55 172.98 2yry s PHE 99 N -3.10 0.14 -0.07 2.71 0.40 -1.26 -1.05 117.98 115.74 2yry s PHE 99 Ca 0.61 -0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.78 2yry s PHE 99 Cb -0.09 -0.09 0.03 0.00 0.51 0.00 0.00 43.02 43.38 2yry s PHE 99 CO 0.43 -0.04 0.17 -0.06 0.70 0.00 0.00 175.22 176.43 2yry s PHE 100 N -0.31 -0.20 0.29 0.36 0.08 -0.63 -3.40 117.98 114.16 2yry s PHE 100 Ca -0.03 0.54 0.10 0.00 0.12 0.00 0.00 56.93 57.67 2yry s PHE 100 Cb -0.02 -0.02 -0.05 0.00 -0.57 0.00 0.00 43.02 42.36 2yry s PHE 100 CO -0.00 -0.16 -0.08 0.45 -0.10 0.00 0.00 175.22 175.32 2yry s SER 101 N 0.94 4.07 -0.02 1.36 0.15 -0.94 -0.23 113.70 119.03 2yry s SER 101 Ca -0.07 -0.88 0.03 0.00 0.70 0.00 0.00 55.95 55.73 2yry s SER 101 Cb -0.09 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2yry s SER 101 CO -0.05 -0.03 -0.10 0.00 1.20 0.00 0.00 173.24 174.26 2yry s ALA 102 N -2.44 0.88 0.17 5.45 0.00 -0.02 -2.58 121.76 123.22 2yry s ALA 102 Ca 0.31 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 2yry s ALA 102 Cb -0.05 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.88 2yry s ALA 102 CO 0.18 0.19 1.82 0.93 0.00 0.00 0.00 175.76 178.87 2yry h GLU 103 N 6.07 0.74 -6.27 0.00 5.08 -1.87 -3.43 114.58 114.90 2yry h GLU 103 Ca -0.32 -0.06 -0.66 0.00 -1.00 0.00 0.00 59.36 57.31 2yry h GLU 103 Cb 1.17 -0.16 -0.14 0.00 0.50 0.00 0.00 28.75 30.12 2yry h GLU 103 CO 0.49 0.53 -0.67 0.45 -1.00 0.00 0.00 179.01 178.81 2yry s SER 104 N -5.77 4.91 0.44 1.42 0.15 -1.26 -5.01 113.70 108.59 2yry s SER 104 Ca -0.13 -0.12 0.30 0.00 0.70 0.00 0.00 55.95 56.70 2yry s SER 104 Cb 0.12 -1.19 1.26 0.00 -1.71 0.00 0.00 66.02 64.50 2yry s SER 104 CO 0.75 0.24 1.89 1.55 1.20 0.00 0.00 173.24 178.88 2yry h PRO 105 N 4.08 0.00 0.01 5.44 0.13 -1.95 -2.76 132.00 136.95 2yry h PRO 105 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 2yry h PRO 105 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2yry h PRO 105 CO 0.57 0.00 -0.92 0.93 -0.23 0.00 0.00 178.00 178.34 2yry h GLU 106 N 0.00 0.06 0.17 0.86 5.08 -1.97 -3.24 114.58 115.54 2yry h GLU 106 Ca 0.00 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 57.98 2yry h GLU 106 Cb 0.44 0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.74 2yry h GLU 106 CO 0.00 0.94 -1.28 0.93 -1.00 0.00 0.00 179.01 178.60 2yry h GLU 107 N 0.03 0.57 0.17 2.33 4.39 -1.91 -3.06 114.58 117.11 2yry h GLU 107 Ca -0.03 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 58.84 2yry h GLU 107 Cb 1.61 0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 30.52 2yry h GLU 107 CO 0.13 1.39 -0.41 0.37 -1.16 0.00 0.00 179.01 179.33 2yry h GLN 108 N 0.17 -0.62 -0.35 2.33 4.15 -1.60 0.35 115.11 119.56 2yry h GLN 108 Ca -0.21 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.32 2yry h GLN 108 Cb 1.97 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 29.74 2yry h GLN 108 CO 0.24 -0.41 -0.00 1.05 -1.93 0.00 0.00 178.83 177.78 2yry h GLU 109 N -0.64 0.09 -0.85 1.69 4.11 -1.71 -1.50 114.58 115.78 2yry h GLU 109 Ca -0.02 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.50 2yry h GLU 109 Cb 0.62 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 2yry h GLU 109 CO -0.18 0.06 0.49 0.00 0.07 0.00 0.00 179.01 179.45 2yry h ALA 110 N 1.30 1.21 0.26 1.06 0.00 -1.36 -2.06 119.26 119.67 2yry h ALA 110 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2yry h ALA 110 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2yry h ALA 110 CO -0.28 0.12 -0.13 -1.49 0.00 0.00 0.00 179.25 177.48 2yry h TRP 111 N 0.83 -0.33 -0.48 0.00 4.06 0.66 -3.01 115.95 117.67 2yry h TRP 111 Ca 0.41 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.45 2yry h TRP 111 Cb 0.36 0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 28.54 2yry h TRP 111 CO -0.05 -0.16 -0.11 0.82 -3.56 0.00 0.00 178.44 175.38 2yry h ILE 112 N -0.41 0.53 -0.99 1.49 2.04 -0.86 0.29 117.51 119.60 2yry h ILE 112 Ca -0.04 -0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.11 2yry h ILE 112 Cb 0.31 0.52 -0.14 0.00 -0.74 0.00 0.00 36.82 36.77 2yry h ILE 112 CO 0.06 0.00 0.55 1.56 0.00 0.00 0.00 178.15 180.32 2yry h GLN 113 N 0.01 0.38 0.00 2.37 4.20 -1.26 0.98 115.11 121.79 2yry h GLN 113 Ca 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2yry h GLN 113 Cb 0.35 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2yry h GLN 113 CO -0.49 0.25 -0.16 0.00 -0.67 0.00 0.00 178.83 177.77 2yry h ALA 114 N 1.80 0.02 0.39 3.87 0.00 -0.94 -3.28 119.26 121.12 2yry h ALA 114 Ca 0.69 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2yry h ALA 114 Cb 1.48 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2yry h ALA 114 CO -0.57 0.13 -0.24 0.52 0.00 0.00 0.00 179.25 179.09 2yry h MET 115 N -1.00 -0.57 -0.88 0.00 2.86 -0.02 0.16 114.93 115.47 2yry h MET 115 Ca -0.02 0.04 0.19 0.00 -2.06 0.00 0.00 59.70 57.84 2yry h MET 115 Cb 0.37 0.13 -0.17 0.00 0.06 0.00 0.00 31.60 32.00 2yry h MET 115 CO -0.01 -0.38 -0.18 0.41 1.06 0.00 0.00 176.91 177.80 2yry n GLY 116 N -1.31 -1.44 0.34 8.32 0.00 0.33 0.65 105.19 112.09 2yry n GLY 116 Ca -0.07 0.93 -0.12 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.78 0.00 1.61 4.39 -1.59 -0.12 114.58 118.09 2yry h GLU 117 Ca 0.44 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.19 2yry h GLU 117 Cb 0.72 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2yry h GLU 117 CO -0.90 -0.52 0.34 0.00 -1.16 0.00 0.00 179.01 176.77 2yry h ALA 118 N -1.23 1.30 0.08 3.43 0.00 0.81 0.16 119.26 123.81 2yry h ALA 118 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 2yry h ALA 118 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2yry h ALA 118 CO 0.14 -0.30 -1.79 0.00 0.00 0.00 0.00 179.25 177.29 2yry n ALA 119 N -1.76 0.87 -1.77 0.00 0.00 0.21 -3.55 120.51 114.52 2yry n ALA 119 Ca -0.02 -0.58 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 2yry n ALA 119 Cb 0.38 -0.62 -0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.50 3.74 -0.62 0.00 1.70 0.04 -3.95 118.95 117.37 2yry s ARG 120 Ca -0.25 1.89 -0.01 0.00 -0.47 0.00 0.00 55.73 56.89 2yry s ARG 120 Cb 0.07 -2.47 0.16 0.00 -0.57 0.00 0.00 34.95 32.14 2yry s ARG 120 CO 0.70 -0.59 0.42 0.08 -1.08 0.00 0.00 175.30 174.84 2yry s VAL 121 N -1.46 3.49 -2.69 4.99 1.01 -1.26 -4.91 120.40 119.56 2yry s VAL 121 Ca 0.63 -3.14 0.26 0.00 0.00 0.00 0.00 61.98 59.73 2yry s VAL 121 Cb -0.32 -3.29 0.41 0.00 0.00 0.00 0.00 36.38 33.18 2yry s VAL 121 CO 0.39 -0.88 1.56 0.00 0.00 0.00 0.00 175.10 176.16