#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 -0.17 -0.84 1.61 0.01 -1.26 -5.10 113.70 107.95 2yry s SER 2 Ca 0.00 -0.77 -0.20 0.00 1.31 0.00 0.00 55.95 56.28 2yry s SER 2 Cb 0.00 0.76 0.10 0.00 0.21 0.00 0.00 66.02 67.09 2yry s SER 2 CO 0.00 -1.43 1.09 -0.44 0.41 0.00 0.00 173.24 172.86 2yry s SER 3 N -2.97 6.46 0.00 2.44 0.01 -1.26 -4.91 113.70 113.47 2yry s SER 3 Ca 0.13 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.75 2yry s SER 3 Cb -0.06 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2yry s SER 3 CO 0.08 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.12 2yry n GLY 4 N 5.53 1.55 3.61 3.44 0.00 -1.26 -5.01 105.19 113.05 2yry n GLY 4 Ca 0.15 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.54 2yry n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yry n SER 5 N 0.00 1.40 -3.73 1.61 3.41 -1.26 -4.92 113.62 110.13 2yry n SER 5 Ca 0.00 1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 59.48 2yry n SER 5 Cb 0.00 -0.96 -0.10 0.00 -0.26 0.00 0.00 64.21 62.89 2yry n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yry s SER 6 N 4.08 -0.43 0.07 4.04 0.01 -1.26 -5.16 113.70 115.05 2yry s SER 6 Ca 1.07 0.83 -0.05 0.00 1.31 0.00 0.00 55.95 59.11 2yry s SER 6 Cb -1.37 0.84 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 2yry s SER 6 CO 0.73 -0.14 0.31 -0.83 0.41 0.00 0.00 173.24 173.72 2yry s GLY 7 N 0.24 2.25 0.00 3.44 0.00 -1.26 -4.98 107.32 107.00 2yry s GLY 7 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2yry s GLY 7 CO 0.00 -0.46 0.00 0.61 0.00 0.00 0.00 173.10 173.25 2yry n GLY 8 N 0.60 2.65 3.71 0.20 0.00 -1.26 -5.01 105.19 106.09 2yry n GLY 8 Ca -0.07 -1.08 -0.63 0.00 0.00 0.00 0.00 46.02 44.23 2yry n GLY 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yry n LYS 9 N 0.90 0.40 0.31 1.61 3.00 -1.26 -4.86 118.16 118.27 2yry n LYS 9 Ca 0.00 0.15 -0.15 0.00 -0.00 0.00 0.00 58.31 58.31 2yry n LYS 9 Cb 0.00 -1.71 -0.08 0.00 0.00 0.00 0.00 35.03 33.24 2yry n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2yry h ARG 10 N 5.53 -0.87 -4.14 1.64 2.47 -1.97 -3.45 114.38 113.59 2yry h ARG 10 Ca -0.45 0.06 -0.26 0.00 -1.26 0.00 0.00 59.98 58.07 2yry h ARG 10 Cb 1.36 0.20 -0.25 0.00 -1.65 0.00 0.00 29.97 29.62 2yry h ARG 10 CO 0.94 -0.58 -0.73 0.45 0.56 0.00 0.00 179.97 180.61 2yry s SER 11 N -3.74 0.43 -0.12 7.04 0.15 -1.26 -5.06 113.70 111.14 2yry s SER 11 Ca -0.15 -0.25 -0.28 0.00 0.70 0.00 0.00 55.95 55.97 2yry s SER 11 Cb 0.03 0.01 -0.25 0.00 -1.71 0.00 0.00 66.02 64.09 2yry s SER 11 CO 0.47 -0.09 0.87 -0.74 1.20 0.00 0.00 173.24 174.95 2yry h HIS 12 N 5.44 -0.00 -2.21 3.44 2.76 -2.03 -3.47 115.15 119.08 2yry h HIS 12 Ca -0.29 -0.00 -0.45 0.00 -2.20 0.00 0.00 60.37 57.43 2yry h HIS 12 Cb 1.20 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.17 2yry h HIS 12 CO 0.51 0.89 -0.26 -1.12 -1.30 0.00 0.00 177.93 176.65 2yry s SER 13 N -6.11 5.99 0.28 3.26 0.01 -1.26 -5.05 113.70 110.82 2yry s SER 13 Ca -0.18 0.04 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 2yry s SER 13 Cb -0.02 -1.45 -0.12 0.00 0.21 0.00 0.00 66.02 64.64 2yry s SER 13 CO 0.69 -0.47 1.60 0.23 0.41 0.00 0.00 173.24 175.70 2yry n MET 14 N -1.77 2.66 -4.28 12.44 0.00 -1.26 -5.00 117.12 119.91 2yry n MET 14 Ca -0.01 0.95 -0.15 0.00 0.00 0.00 0.00 57.70 58.49 2yry n MET 14 Cb 0.58 -2.73 -0.10 0.00 0.00 0.00 0.00 33.22 30.96 2yry n MET 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2yry s LYS 15 N -0.32 1.31 0.05 0.03 -0.14 -1.26 -4.84 119.74 114.57 2yry s LYS 15 Ca 0.65 -1.70 0.08 0.00 -1.36 0.00 0.00 55.97 53.65 2yry s LYS 15 Cb -0.51 -0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 35.45 2yry s LYS 15 CO 0.47 -0.28 -0.21 0.50 -0.76 0.00 0.00 175.35 175.06 2yry s ARG 16 N -4.04 1.38 0.00 1.68 3.52 -1.26 -5.13 118.95 115.11 2yry s ARG 16 Ca 0.35 -0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 54.86 2yry s ARG 16 Cb 0.07 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.89 2yry s ARG 16 CO 0.11 0.38 0.34 -0.80 -0.81 0.00 0.00 175.30 174.53 2yry s ASN 17 N -1.29 6.64 0.14 -2.12 0.01 -1.26 -5.01 114.94 112.06 2yry s ASN 17 Ca 0.08 0.77 -0.11 0.00 -0.71 0.00 0.00 52.86 52.88 2yry s ASN 17 Cb -0.09 -2.17 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 2yry s ASN 17 CO 0.02 0.29 1.47 1.55 -1.51 0.00 0.00 177.10 178.91 2yry h PRO 18 N 4.36 0.92 -0.83 -0.60 0.13 -2.04 -3.18 132.00 130.76 2yry h PRO 18 Ca -0.51 -0.48 0.01 0.00 -0.87 0.00 0.00 66.00 64.15 2yry h PRO 18 Cb 1.21 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2yry h PRO 18 CO 0.63 1.14 0.55 -2.95 -0.23 0.00 0.00 178.00 177.13 2yry h ASN 19 N 0.73 0.94 -1.72 1.44 7.08 -2.08 -3.43 115.58 118.55 2yry h ASN 19 Ca 0.06 -0.02 -0.68 0.00 -3.08 0.00 0.00 56.30 52.57 2yry h ASN 19 Cb 0.97 -0.23 0.04 0.00 -2.08 0.00 0.00 38.32 37.01 2yry h ASN 19 CO 0.09 0.68 0.68 0.00 -2.08 0.00 0.00 177.43 176.80 2yry n ALA 20 N -2.33 -0.35 -2.15 4.14 0.00 -1.20 -4.88 120.51 113.74 2yry n ALA 20 Ca 0.09 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 2yry n ALA 20 Cb 0.02 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 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 1.79 4.35 -0.10 0.00 0.04 -1.26 -4.95 135.00 134.86 2yry s PRO 21 Ca 0.89 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.68 2yry s PRO 21 Cb -0.94 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 2yry s PRO 21 CO 0.52 -0.37 1.73 0.08 0.04 0.00 0.00 177.00 179.01 2yry s VAL 22 N 0.81 3.49 0.02 -0.36 1.01 -1.26 -4.64 120.40 119.47 2yry s VAL 22 Ca 0.62 0.58 -0.28 0.00 0.00 0.00 0.00 61.98 62.89 2yry s VAL 22 Cb -0.36 -3.43 -0.16 0.00 0.00 0.00 0.00 36.38 32.43 2yry s VAL 22 CO 0.32 -0.12 1.24 0.74 0.00 0.00 0.00 175.10 177.29 2yry h THR 23 N 5.88 0.20 -2.90 3.92 2.02 -0.23 -3.46 112.91 118.35 2yry h THR 23 Ca -0.39 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.34 2yry h THR 23 Cb 1.18 0.27 -0.27 0.00 -1.74 0.00 0.00 68.15 67.60 2yry h THR 23 CO 0.97 0.03 -0.37 -0.75 0.37 0.00 0.00 175.52 175.76 2yry s LYS 24 N -4.97 0.33 0.09 6.66 2.20 -1.15 -4.99 119.74 117.92 2yry s LYS 24 Ca -0.15 0.56 0.07 0.00 -0.36 0.00 0.00 55.97 56.09 2yry s LYS 24 Cb 0.02 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 2yry s LYS 24 CO 0.49 -0.11 -0.18 0.00 -0.36 0.00 0.00 175.35 175.19 2yry s ALA 25 N 0.81 1.56 0.00 3.13 0.00 -1.26 0.04 121.76 126.04 2yry s ALA 25 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2yry s ALA 25 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2yry s ALA 25 CO -0.06 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2yry n GLY 26 N 1.22 2.35 3.58 0.00 0.00 -0.52 -5.02 105.19 106.80 2yry n GLY 26 Ca -0.20 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.21 1.90 0.50 1.61 0.52 -1.26 -2.14 118.94 118.86 2yry s TRP 27 Ca 0.00 0.67 0.07 0.00 0.02 0.00 0.00 56.10 56.86 2yry s TRP 27 Cb 0.00 -4.18 0.03 0.00 -1.15 0.00 0.00 33.47 28.17 2yry s TRP 27 CO 0.00 -2.47 0.50 -0.51 0.02 0.00 0.00 176.95 174.49 2yry s LEU 28 N 7.33 3.10 -0.25 2.99 1.43 -0.70 -4.81 118.68 127.77 2yry s LEU 28 Ca 0.69 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2yry s LEU 28 Cb -0.16 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.43 2yry s LEU 28 CO 0.28 -0.98 -0.03 -0.36 0.23 0.00 0.00 176.35 175.48 2yry s PHE 29 N -2.62 2.50 -0.36 0.29 0.40 -1.09 -0.55 117.98 116.56 2yry s PHE 29 Ca 0.47 -1.89 -0.18 0.00 -0.60 0.00 0.00 56.93 54.72 2yry s PHE 29 Cb -0.04 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.76 2yry s PHE 29 CO 0.29 -0.80 0.53 0.21 0.70 0.00 0.00 175.22 176.14 2yry s LYS 30 N 1.36 3.57 0.29 0.44 2.20 -1.01 -0.42 119.74 126.18 2yry s LYS 30 Ca -0.03 -0.19 -0.26 0.00 -0.36 0.00 0.00 55.97 55.12 2yry s LYS 30 Cb -0.19 -3.83 -0.15 0.00 -1.51 0.00 0.00 37.83 32.16 2yry s LYS 30 CO -0.08 -0.69 0.67 0.94 -0.36 0.00 0.00 175.35 175.84 2yry n GLN 31 N 5.79 0.60 -1.64 4.03 7.27 -1.19 -2.90 117.38 129.34 2yry n GLN 31 Ca -0.04 0.21 -0.58 0.00 0.07 0.00 0.00 57.00 56.66 2yry n GLN 31 Cb 0.49 -1.40 -0.07 0.00 2.41 0.00 0.00 30.24 31.66 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 -0.17 -1.23 -0.12 1.69 0.00 -1.22 -4.84 120.51 114.62 2yry n ALA 32 Ca 0.13 0.48 -0.24 0.00 0.00 0.00 0.00 53.44 53.82 2yry n ALA 32 Cb 0.31 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 2yry n ALA 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yry n SER 33 N 3.59 1.91 -3.68 0.00 2.88 -1.26 -4.90 113.62 112.16 2yry n SER 33 Ca 0.24 0.39 -0.29 0.00 -1.33 0.00 0.00 58.87 57.87 2yry n SER 33 Cb 0.11 -0.87 -0.16 0.00 -0.75 0.00 0.00 64.21 62.54 2yry n SER 33 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yry s SER 34 N -7.05 3.52 0.00 -3.46 1.04 -1.26 -5.07 113.70 101.42 2yry s SER 34 Ca -0.33 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 54.83 2yry s SER 34 Cb 0.10 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.58 2yry s SER 34 CO 0.51 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2yry n GLY 35 N 5.02 0.20 3.61 7.32 0.00 -1.26 -5.12 105.19 114.96 2yry n GLY 35 Ca -0.05 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 2yry n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yry s VAL 36 N -4.00 1.62 -0.72 1.61 -7.23 -1.26 -4.98 120.40 105.44 2yry s VAL 36 Ca 0.00 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.02 2yry s VAL 36 Cb 0.00 -2.52 0.18 0.00 0.56 0.00 0.00 36.38 34.60 2yry s VAL 36 CO 0.00 0.00 0.67 -0.54 -0.31 0.00 0.00 175.10 174.92 2yry s LYS 37 N -5.44 3.37 -0.29 4.82 1.02 -1.26 -4.77 119.74 117.18 2yry s LYS 37 Ca 0.71 -2.17 -0.19 0.00 0.02 0.00 0.00 55.97 54.34 2yry s LYS 37 Cb -0.09 -4.38 0.17 0.00 -0.52 0.00 0.00 37.83 33.01 2yry s LYS 37 CO 0.56 -1.31 1.17 1.14 -0.92 0.00 0.00 175.35 175.99 2yry s GLN 38 N 0.72 0.22 0.55 1.68 -2.07 -1.26 -5.06 119.66 114.44 2yry s GLN 38 Ca 0.12 0.33 -0.21 0.00 -1.82 0.00 0.00 55.36 53.78 2yry s GLN 38 Cb -0.18 0.06 -0.05 0.00 -1.09 0.00 0.00 33.01 31.76 2yry s GLN 38 CO -0.04 -0.04 1.32 -1.58 -1.32 0.00 0.00 175.29 173.63 2yry s TRP 39 N 0.86 2.34 -0.24 9.60 0.52 -1.26 -3.44 118.94 127.32 2yry s TRP 39 Ca -0.04 1.41 0.01 0.00 0.02 0.00 0.00 56.10 57.50 2yry s TRP 39 Cb -0.04 -3.73 0.06 0.00 -1.15 0.00 0.00 33.47 28.62 2yry s TRP 39 CO -0.12 -2.71 -0.07 -0.80 0.02 0.00 0.00 176.95 173.27 2yry s ASN 40 N -1.07 3.93 -0.05 2.95 0.02 -1.14 -4.88 114.94 114.70 2yry s ASN 40 Ca 0.72 -1.20 -0.30 0.00 -1.02 0.00 0.00 52.86 51.06 2yry s ASN 40 Cb -0.38 -1.25 -0.04 0.00 0.02 0.00 0.00 41.25 39.59 2yry s ASN 40 CO 0.45 -0.22 1.30 -0.75 0.02 0.00 0.00 177.10 177.90 2yry s LYS 41 N 1.34 4.30 0.05 -0.60 2.20 -1.26 -2.39 119.74 123.37 2yry s LYS 41 Ca -0.06 1.80 -0.01 0.00 -0.36 0.00 0.00 55.97 57.34 2yry s LYS 41 Cb -0.19 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.49 2yry s LYS 41 CO -0.06 -0.55 -0.03 1.03 -0.36 0.00 0.00 175.35 175.38 2yry s ARG 42 N 2.54 0.55 -0.31 4.03 1.81 0.29 -4.98 118.95 122.87 2yry s ARG 42 Ca 0.59 -1.09 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 2yry s ARG 42 Cb -0.27 0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.39 2yry s ARG 42 CO 0.23 -0.09 1.53 -0.46 -0.68 0.00 0.00 175.30 175.83 2yry s TRP 43 N -3.38 2.24 -0.14 -0.53 -0.00 -1.04 -1.72 118.94 114.37 2yry s TRP 43 Ca 0.02 0.66 -0.07 0.00 -0.00 0.00 0.00 56.10 56.71 2yry s TRP 43 Cb 0.04 -4.10 -0.04 0.00 -0.00 0.00 0.00 33.47 29.37 2yry s TRP 43 CO -0.08 -2.43 0.13 -0.06 -0.00 0.00 0.00 176.95 174.52 2yry s PHE 44 N 5.44 3.54 -0.02 5.86 0.40 -0.91 -0.16 117.98 132.13 2yry s PHE 44 Ca 0.67 0.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.47 2yry s PHE 44 Cb -0.19 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.38 2yry s PHE 44 CO 0.30 0.62 0.02 0.08 0.70 0.00 0.00 175.22 176.94 2yry s VAL 45 N -0.70 -0.02 -0.35 -0.44 1.01 0.69 -1.44 120.40 119.16 2yry s VAL 45 Ca 0.13 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2yry s VAL 45 Cb -0.12 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.17 2yry s VAL 45 CO 0.03 0.09 0.20 -0.22 0.00 0.00 0.00 175.10 175.19 2yry s LEU 46 N 0.95 4.48 -0.01 3.92 2.96 0.11 -0.01 118.68 131.08 2yry s LEU 46 Ca -0.08 -0.71 -0.00 0.00 -0.22 0.00 0.00 54.13 53.12 2yry s LEU 46 Cb -0.12 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2yry s LEU 46 CO -0.02 -0.29 0.03 -0.69 -1.32 0.00 0.00 176.35 174.05 2yry s VAL 47 N 1.62 -0.03 -1.19 1.68 1.01 -0.05 0.59 120.40 124.03 2yry s VAL 47 Ca 0.04 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2yry s VAL 47 Cb -0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2yry s VAL 47 CO 0.07 0.04 0.85 -0.67 0.00 0.00 0.00 175.10 175.39 2yry n ASP 48 N 3.58 -3.36 -3.21 3.32 2.03 -1.26 -1.57 116.55 116.08 2yry n ASP 48 Ca -0.19 -0.77 -0.19 0.00 0.52 0.00 0.00 54.79 54.16 2yry n ASP 48 Cb 0.55 -4.54 -0.02 0.00 -0.72 0.00 0.00 41.12 36.40 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 -3.95 -2.67 -4.00 -0.67 1.74 -1.26 -4.91 116.66 100.94 2yry n ARG 49 Ca -0.21 0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 2yry n ARG 49 Cb 0.65 -4.91 -0.11 0.00 -1.02 0.00 0.00 32.46 27.06 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yry s LEU 51 N -1.51 4.18 -0.11 0.00 0.20 -1.13 -0.87 118.68 119.44 2yry s LEU 51 Ca -0.14 0.24 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 2yry s LEU 51 Cb -0.10 -2.16 0.03 0.00 -0.43 0.00 0.00 46.19 43.53 2yry s LEU 51 CO -0.01 0.11 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.75 2yry s PHE 52 N 0.67 1.30 -0.19 5.38 0.08 0.99 -2.11 117.98 124.10 2yry s PHE 52 Ca 0.10 -0.64 -0.06 0.00 0.12 0.00 0.00 56.93 56.44 2yry s PHE 52 Cb -0.12 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2yry s PHE 52 CO 0.02 -0.48 0.04 1.52 -0.10 0.00 0.00 175.22 176.21 2yry s TYR 53 N 1.77 3.15 -0.04 0.36 -0.85 -1.26 -0.22 117.35 120.25 2yry s TYR 53 Ca 0.04 -0.15 0.03 0.00 -0.52 0.00 0.00 57.07 56.48 2yry s TYR 53 Cb -0.13 -2.09 -0.03 0.00 0.38 0.00 0.00 41.96 40.09 2yry s TYR 53 CO -0.07 -0.03 -0.13 0.71 -1.52 0.00 0.00 175.55 174.50 2yry s TYR 54 N 0.70 2.73 0.36 -3.49 1.51 0.77 -3.34 117.35 116.60 2yry s TYR 54 Ca 0.02 -0.14 0.19 0.00 -1.01 0.00 0.00 57.07 56.13 2yry s TYR 54 Cb -0.14 -1.63 1.28 0.00 -0.11 0.00 0.00 41.96 41.37 2yry s TYR 54 CO 0.02 0.22 1.58 1.57 -1.11 0.00 0.00 175.55 177.83 2yry h LYS 55 N 5.25 0.02 0.00 -0.62 5.09 -1.87 -2.76 116.57 121.67 2yry h LYS 55 Ca -0.47 -0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.02 2yry h LYS 55 Cb 1.16 -0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.42 2yry h LYS 55 CO 0.50 0.01 -0.19 -3.47 -2.09 0.00 0.00 179.45 174.21 2yry n ASP 56 N -5.27 -0.77 0.30 7.07 -0.08 -1.26 -4.45 116.55 112.09 2yry n ASP 56 Ca 0.36 -2.40 0.19 0.00 -1.51 0.00 0.00 54.79 51.43 2yry n ASP 56 Cb 1.22 1.52 0.88 0.00 2.34 0.00 0.00 41.12 47.09 2yry n ASP 56 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2yry h GLU 57 N 0.00 0.00 -0.79 -0.67 -0.00 -1.95 -2.83 114.58 108.34 2yry h GLU 57 Ca -0.18 0.00 0.08 0.00 -0.00 0.00 0.00 59.36 59.26 2yry h GLU 57 Cb 0.83 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.51 2yry h GLU 57 CO 0.25 0.02 0.45 0.87 -0.00 0.00 0.00 179.01 180.60 2yry h LYS 58 N 0.00 0.76 -5.23 1.06 1.79 -1.95 -3.47 116.57 109.54 2yry h LYS 58 Ca -0.00 -0.05 -0.30 0.00 -2.18 0.00 0.00 60.65 58.13 2yry h LYS 58 Cb 0.31 -0.17 0.15 0.00 -1.58 0.00 0.00 32.23 30.94 2yry h LYS 58 CO 0.00 0.51 -0.67 0.39 -1.08 0.00 0.00 179.45 178.59 2yry n GLU 59 N -4.74 -5.94 0.47 3.15 1.02 -1.07 -4.95 120.64 108.58 2yry n GLU 59 Ca 0.12 0.75 -0.20 0.00 -0.02 0.00 0.00 57.16 57.81 2yry n GLU 59 Cb 0.24 -5.48 -0.10 0.00 -0.02 0.00 0.00 31.44 26.09 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 -1.73 -1.13 -2.88 3.49 4.39 -1.90 -3.44 114.58 111.39 2yry h GLU 60 Ca -0.52 0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.07 2yry h GLU 60 Cb 1.30 0.26 -0.30 0.00 -0.10 0.00 0.00 28.75 29.91 2yry h GLU 60 CO 0.45 -0.75 -0.46 0.45 -1.16 0.00 0.00 179.01 177.53 2yry s SER 61 N -4.17 -0.10 -0.37 1.42 0.15 -1.26 -5.10 113.70 104.27 2yry s SER 61 Ca -0.19 0.64 -0.38 0.00 0.70 0.00 0.00 55.95 56.72 2yry s SER 61 Cb 0.03 0.63 -0.14 0.00 -1.71 0.00 0.00 66.02 64.82 2yry s SER 61 CO 0.61 -0.20 2.11 -0.38 1.20 0.00 0.00 173.24 176.58 2yry n ILE 62 N 4.69 0.16 -0.00 6.45 5.41 -1.26 -4.81 119.36 130.00 2yry n ILE 62 Ca -0.17 -0.17 -0.12 0.00 1.00 0.00 0.00 62.75 63.29 2yry n ILE 62 Cb 0.52 -1.31 -0.08 0.00 -0.71 0.00 0.00 39.64 38.06 2yry n ILE 62 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2yry h LEU 63 N 10.77 0.05 -6.74 1.39 3.38 -1.96 -3.44 115.31 118.75 2yry h LEU 63 Ca -0.26 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 2yry h LEU 63 Cb 1.34 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.83 2yry h LEU 63 CO 1.03 0.35 -0.33 -0.83 0.09 0.00 0.00 178.44 178.74 2yry s GLY 64 N -2.86 -0.56 0.09 0.83 0.00 -1.26 -5.11 107.32 98.46 2yry s GLY 64 Ca -0.15 1.58 -0.22 0.00 0.00 0.00 0.00 44.72 45.93 2yry s GLY 64 CO 0.68 2.77 0.67 -0.56 0.00 0.00 0.00 173.10 176.66 2yry s SER 65 N 2.70 7.18 -0.18 1.64 0.01 -1.26 -4.04 113.70 119.74 2yry s SER 65 Ca 0.05 1.40 -0.01 0.00 1.31 0.00 0.00 55.95 58.70 2yry s SER 65 Cb -0.13 -2.42 0.05 0.00 0.21 0.00 0.00 66.02 63.72 2yry s SER 65 CO -0.16 0.19 -0.03 -0.63 0.41 0.00 0.00 173.24 173.02 2yry s ILE 66 N -0.83 1.00 -0.07 1.44 1.01 -0.90 -5.04 121.20 117.82 2yry s ILE 66 Ca 0.33 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2yry s ILE 66 Cb -0.21 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 2yry s ILE 66 CO 0.22 -0.00 1.51 -2.16 0.00 0.00 0.00 174.94 174.50 2yry s PRO 67 N 1.66 4.21 -0.03 2.79 0.04 -1.26 -2.83 135.00 139.58 2yry s PRO 67 Ca -0.01 2.01 0.17 0.00 0.04 0.00 0.00 61.00 63.22 2yry s PRO 67 Cb -0.16 -3.85 -0.20 0.00 0.04 0.00 0.00 34.50 30.33 2yry s PRO 67 CO -0.07 -0.76 0.56 1.28 0.04 0.00 0.00 177.00 178.05 2yry n LEU 68 N 6.65 0.53 0.21 -3.56 4.77 -1.26 -4.08 117.00 120.26 2yry n LEU 68 Ca 0.16 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.46 2yry n LEU 68 Cb 0.43 0.19 0.46 0.00 -2.33 0.00 0.00 43.42 42.17 2yry n LEU 68 CO 0.60 0.25 0.89 0.25 -1.33 0.00 0.00 177.39 178.05 2yry h LEU 69 N 0.00 0.00 -3.97 2.23 5.85 -1.71 0.21 115.31 117.91 2yry h LEU 69 Ca -0.26 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.90 2yry h LEU 69 Cb 1.74 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 42.35 2yry h LEU 69 CO 0.04 0.00 -0.75 -1.54 -0.34 0.00 0.00 178.44 175.85 2yry n SER 70 N -2.28 4.93 -4.08 1.25 3.41 -1.26 -4.38 113.62 111.22 2yry n SER 70 Ca -0.01 -3.74 -0.10 0.00 -0.26 0.00 0.00 58.87 54.75 2yry n SER 70 Cb 0.37 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 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 -3.59 0.71 -0.56 7.33 0.40 0.72 -4.22 117.98 118.76 2yry s PHE 71 Ca 0.50 -1.01 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 2yry s PHE 71 Cb 0.41 -0.14 0.17 0.00 0.51 0.00 0.00 43.02 43.96 2yry s PHE 71 CO -0.03 -0.83 0.41 0.50 0.70 0.00 0.00 175.22 175.97 2yry s ARG 72 N -4.08 1.74 0.52 0.44 3.52 0.24 -4.48 118.95 116.86 2yry s ARG 72 Ca 0.29 -2.73 -0.22 0.00 -0.13 0.00 0.00 55.73 52.94 2yry s ARG 72 Cb 0.03 -2.54 -0.07 0.00 -1.56 0.00 0.00 34.95 30.81 2yry s ARG 72 CO 0.10 -1.31 1.16 0.28 -0.81 0.00 0.00 175.30 174.71 2yry n VAL 73 N 2.47 3.35 -3.65 7.11 0.31 -1.26 -3.95 118.33 122.72 2yry n VAL 73 Ca 0.22 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 64.04 2yry n VAL 73 Cb 0.40 -1.39 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 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 -1.34 -2.39 1.00 3.52 0.00 -0.89 -4.88 121.76 116.79 2yry s ALA 74 Ca 0.70 1.97 -0.20 0.00 0.00 0.00 0.00 51.96 54.43 2yry s ALA 74 Cb -0.46 -1.81 -0.13 0.00 0.00 0.00 0.00 23.12 20.73 2yry s ALA 74 CO 0.51 -0.27 -0.86 0.00 0.00 0.00 0.00 175.76 175.14 2yry n ALA 75 N 2.86 -5.20 -2.08 0.00 0.00 -1.26 -0.69 120.51 114.14 2yry n ALA 75 Ca -0.16 -0.96 -0.27 0.00 0.00 0.00 0.00 53.44 52.06 2yry n ALA 75 Cb 0.57 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.92 2yry n ALA 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2yry s VAL 76 N -2.06 3.66 0.25 0.00 -7.23 -0.25 -4.35 120.40 110.42 2yry s VAL 76 Ca 0.42 0.02 0.10 0.00 -1.81 0.00 0.00 61.98 60.70 2yry s VAL 76 Cb -0.08 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 2yry s VAL 76 CO 0.74 -0.47 -0.04 -1.10 -0.31 0.00 0.00 175.10 173.92 2yry s GLN 77 N -5.00 2.19 0.00 4.82 -0.21 -1.26 -5.00 119.66 115.20 2yry s GLN 77 Ca 0.54 -1.42 0.13 0.00 0.02 0.00 0.00 55.36 54.63 2yry s GLN 77 Cb -0.11 -2.12 0.79 0.00 1.00 0.00 0.00 33.01 32.57 2yry s GLN 77 CO 0.45 0.38 1.21 -0.35 -2.12 0.00 0.00 175.29 174.86 2yry n PRO 78 N -0.68 0.49 0.00 2.91 -0.04 -1.26 -1.76 135.00 134.66 2yry n PRO 78 Ca -0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2yry n PRO 78 Cb 0.58 -1.42 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2yry n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yry n SER 79 N -0.92 0.92 -0.69 3.54 2.88 -1.26 -4.53 113.62 113.55 2yry n SER 79 Ca 0.10 -0.96 0.02 0.00 -1.33 0.00 0.00 58.87 56.69 2yry n SER 79 Cb 0.05 0.48 0.08 0.00 -0.75 0.00 0.00 64.21 64.07 2yry n SER 79 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2yry n ASP 80 N -0.36 1.74 -2.97 -3.46 8.00 -0.72 -4.84 116.55 113.93 2yry n ASP 80 Ca 0.02 -2.15 -0.19 0.00 0.71 0.00 0.00 54.79 53.18 2yry n ASP 80 Cb 0.13 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 2yry n ASP 80 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yry n ASN 81 N 0.09 -4.21 -4.35 -2.24 5.03 -1.26 -4.90 115.26 103.42 2yry n ASN 81 Ca 0.05 -0.16 -0.46 0.00 0.87 0.00 0.00 54.58 54.88 2yry n ASN 81 Cb 0.38 -3.50 -0.03 0.00 -1.02 0.00 0.00 39.78 35.61 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2yry s ILE 82 N -2.86 5.27 0.33 2.41 -1.09 -1.26 -4.91 121.20 119.08 2yry s ILE 82 Ca 0.24 -1.87 0.09 0.00 -2.23 0.00 0.00 60.65 56.88 2yry s ILE 82 Cb -0.12 -4.48 0.32 0.00 -1.58 0.00 0.00 42.46 36.60 2yry s ILE 82 CO 0.29 -1.06 1.77 0.77 -1.23 0.00 0.00 174.94 175.48 2yry h SER 83 N 8.42 0.69 -2.72 3.58 4.64 -1.95 -3.41 113.55 122.80 2yry h SER 83 Ca -0.06 0.10 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 2yry h SER 83 Cb 1.06 -0.01 0.17 0.00 -0.31 0.00 0.00 62.40 63.31 2yry h SER 83 CO 0.93 0.19 -0.06 0.54 -0.87 0.00 0.00 176.83 177.56 2yry n ARG 84 N -4.77 -3.84 0.08 4.77 1.74 -1.26 -5.04 116.66 108.34 2yry n ARG 84 Ca 0.24 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 2yry n ARG 84 Cb 0.67 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 -4.83 0.00 -1.59 5.56 5.02 -1.26 -4.89 118.16 116.17 2yry n LYS 85 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 2yry n LYS 85 Cb 0.49 -0.31 -0.01 0.00 -0.02 0.00 0.00 35.03 35.18 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 -3.45 3.13 -4.22 2.13 8.25 -1.26 -4.75 115.22 115.05 2yry n HIS 86 Ca 0.00 -2.73 -0.15 0.00 -0.26 0.00 0.00 57.72 54.58 2yry n HIS 86 Cb 0.00 -2.37 -0.11 0.00 1.12 0.00 0.00 29.99 28.63 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 3.55 1.11 -0.03 1.59 2.01 -1.26 -0.35 115.64 122.26 2yry s THR 87 Ca 0.50 -1.79 0.01 0.00 0.31 0.00 0.00 61.69 60.72 2yry s THR 87 Cb 0.14 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 71.12 2yry s THR 87 CO -0.04 -0.58 -0.01 0.72 -0.69 0.00 0.00 174.62 174.01 2yry s PHE 88 N -2.63 0.39 -0.16 4.92 -0.71 0.15 -1.10 117.98 118.85 2yry s PHE 88 Ca 0.10 -0.04 -0.06 0.00 -1.04 0.00 0.00 56.93 55.89 2yry s PHE 88 Cb -0.02 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.34 2yry s PHE 88 CO 0.01 -0.12 0.03 -1.59 -1.34 0.00 0.00 175.22 172.21 2yry s LYS 89 N 0.81 3.72 -0.08 1.99 -2.85 0.13 -1.34 119.74 122.11 2yry s LYS 89 Ca -0.09 -0.38 0.01 0.00 -1.00 0.00 0.00 55.97 54.51 2yry s LYS 89 Cb -0.12 -3.07 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 2yry s LYS 89 CO -0.01 0.37 -0.09 0.00 0.10 0.00 0.00 175.35 175.72 2yry s ALA 90 N 0.08 2.87 0.05 0.59 0.00 0.30 -2.09 121.76 123.57 2yry s ALA 90 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2yry s ALA 90 Cb -0.13 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2yry s ALA 90 CO 0.01 0.48 -0.06 -1.83 0.00 0.00 0.00 175.76 174.36 2yry s GLU 91 N -0.48 0.57 0.00 0.00 1.03 -1.25 0.13 118.70 118.70 2yry s GLU 91 Ca 0.07 -0.92 0.04 0.00 0.03 0.00 0.00 54.97 54.19 2yry s GLU 91 Cb -0.12 -0.15 0.05 0.00 -0.80 0.00 0.00 34.13 33.11 2yry s GLU 91 CO 0.02 -0.00 0.73 1.58 -1.33 0.00 0.00 175.26 176.26 2yry n HIS 92 N 0.97 0.04 -2.75 4.83 -0.00 -1.01 0.82 115.22 118.12 2yry n HIS 92 Ca -0.19 -0.10 -0.13 0.00 0.46 0.00 0.00 57.72 57.75 2yry n HIS 92 Cb 0.57 -0.01 -0.01 0.00 -0.12 0.00 0.00 29.99 30.42 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 0.16 -0.91 0.00 1.57 0.00 -1.26 -4.45 120.51 115.61 2yry n ALA 93 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2yry n ALA 93 Cb 0.15 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.85 -0.01 0.05 0.00 0.00 -1.26 -5.03 105.19 98.09 2yry n GLY 94 Ca -0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.82 0.90 -3.86 1.61 0.31 -1.26 -5.13 118.33 109.08 2yry n VAL 95 Ca 0.00 0.28 0.01 0.00 -0.01 0.00 0.00 64.34 64.62 2yry n VAL 95 Cb 0.00 -2.01 0.01 0.00 -0.91 0.00 0.00 33.84 30.93 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 -3.68 0.19 -3.93 5.55 1.85 -1.26 -5.04 116.66 110.34 2yry n ARG 96 Ca -0.08 -0.58 -0.29 0.00 -1.00 0.00 0.00 57.85 55.89 2yry n ARG 96 Cb 0.31 0.88 -0.16 0.00 -1.05 0.00 0.00 32.46 32.44 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 -2.14 1.33 0.65 8.89 2.01 -1.26 -2.40 115.64 122.72 2yry s THR 97 Ca 0.16 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 2yry s THR 97 Cb -0.01 -1.46 0.07 0.00 0.01 0.00 0.00 72.50 71.11 2yry s THR 97 CO 0.01 0.14 0.92 -0.31 -0.69 0.00 0.00 174.62 174.69 2yry s TYR 98 N 1.54 2.54 0.00 4.92 2.02 0.36 -4.87 117.35 123.86 2yry s TYR 98 Ca -0.00 0.08 -0.03 0.00 -0.37 0.00 0.00 57.07 56.75 2yry s TYR 98 Cb -0.16 -3.00 -0.01 0.00 -0.40 0.00 0.00 41.96 38.40 2yry s TYR 98 CO -0.08 -1.30 0.05 -0.06 -1.57 0.00 0.00 175.55 172.59 2yry s PHE 99 N -3.04 0.11 -0.17 2.71 0.40 -1.26 -0.54 117.98 116.18 2yry s PHE 99 Ca 0.61 -0.22 -0.07 0.00 -0.60 0.00 0.00 56.93 56.64 2yry s PHE 99 Cb -0.09 -0.09 0.07 0.00 0.51 0.00 0.00 43.02 43.42 2yry s PHE 99 CO 0.42 -0.19 0.39 -0.06 0.70 0.00 0.00 175.22 176.48 2yry s PHE 100 N -1.07 -0.65 0.24 0.36 0.08 -0.45 -3.15 117.98 113.34 2yry s PHE 100 Ca -0.12 1.33 0.06 0.00 0.12 0.00 0.00 56.93 58.32 2yry s PHE 100 Cb -0.07 0.23 -0.03 0.00 -0.57 0.00 0.00 43.02 42.58 2yry s PHE 100 CO 0.00 -0.40 0.28 0.45 -0.10 0.00 0.00 175.22 175.45 2yry s SER 101 N 2.09 5.94 -0.11 1.36 0.15 0.44 -0.68 113.70 122.88 2yry s SER 101 Ca -0.04 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.54 2yry s SER 101 Cb -0.11 -1.64 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2yry s SER 101 CO -0.12 -0.05 -0.14 0.00 1.20 0.00 0.00 173.24 174.14 2yry s ALA 102 N -2.04 1.62 0.59 5.45 0.00 0.53 -2.67 121.76 125.25 2yry s ALA 102 Ca 0.33 -0.70 0.29 0.00 0.00 0.00 0.00 51.96 51.88 2yry s ALA 102 Cb -0.09 -0.86 1.38 0.00 0.00 0.00 0.00 23.12 23.56 2yry s ALA 102 CO 0.27 -0.17 1.78 1.05 0.00 0.00 0.00 175.76 178.69 2yry h GLU 103 N 7.61 0.00 -4.76 0.00 4.11 -1.87 -3.41 114.58 116.26 2yry h GLU 103 Ca -0.32 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.84 2yry h GLU 103 Cb 1.16 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.24 2yry h GLU 103 CO 0.48 0.00 -0.72 -1.54 0.07 0.00 0.00 179.01 177.31 2yry s SER 104 N -4.85 1.21 0.23 3.06 1.04 -1.26 -5.06 113.70 108.07 2yry s SER 104 Ca -0.04 -0.84 -0.00 0.00 0.48 0.00 0.00 55.95 55.55 2yry s SER 104 Cb 0.16 0.05 0.24 0.00 0.10 0.00 0.00 66.02 66.56 2yry s SER 104 CO 0.54 -0.33 1.59 1.55 0.98 0.00 0.00 173.24 177.57 2yry h PRO 105 N 3.51 0.50 -0.76 4.02 0.13 -1.92 -2.94 132.00 134.55 2yry h PRO 105 Ca -0.36 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.50 2yry h PRO 105 Cb 1.18 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2yry h PRO 105 CO 0.55 0.84 0.44 0.93 -0.23 0.00 0.00 178.00 180.54 2yry h GLU 106 N 0.41 1.04 -0.15 0.86 4.39 -1.97 -2.47 114.58 116.69 2yry h GLU 106 Ca 0.03 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 2yry h GLU 106 Cb 0.93 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2yry h GLU 106 CO 0.08 0.74 -0.13 0.93 -1.16 0.00 0.00 179.01 179.47 2yry h GLU 107 N 1.05 0.36 0.16 2.33 5.08 -1.93 -2.38 114.58 119.25 2yry h GLU 107 Ca 0.27 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2yry h GLU 107 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2yry h GLU 107 CO -0.05 0.72 -0.39 0.37 -1.00 0.00 0.00 179.01 178.66 2yry h GLN 108 N 0.00 -0.59 -0.36 2.33 4.15 -1.32 0.34 115.11 119.67 2yry h GLN 108 Ca 0.03 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.56 2yry h GLN 108 Cb 0.64 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.40 2yry h GLN 108 CO 0.03 -0.40 -0.12 1.05 -1.93 0.00 0.00 178.83 177.47 2yry h GLU 109 N -0.62 -0.04 -0.83 1.69 4.11 -1.54 -0.91 114.58 116.44 2yry h GLU 109 Ca -0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.51 2yry h GLU 109 Cb 0.59 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2yry h GLU 109 CO -0.17 -0.03 0.48 0.00 0.07 0.00 0.00 179.01 179.35 2yry h ALA 110 N 1.29 1.17 0.76 1.06 0.00 -1.09 -2.42 119.26 120.04 2yry h ALA 110 Ca 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2yry h ALA 110 Cb 0.31 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2yry h ALA 110 CO -0.39 0.11 -0.37 -1.49 0.00 0.00 0.00 179.25 177.12 2yry h TRP 111 N 0.80 -0.95 -0.97 0.00 4.06 0.90 -2.86 115.95 116.94 2yry h TRP 111 Ca 0.39 -0.02 0.30 0.00 2.06 0.00 0.00 58.89 61.62 2yry h TRP 111 Cb 0.35 0.31 -0.15 0.00 -1.00 0.00 0.00 29.16 28.67 2yry h TRP 111 CO -0.06 -0.58 0.47 0.82 -3.56 0.00 0.00 178.44 175.53 2yry h ILE 112 N -1.08 0.30 -0.45 1.49 2.04 -0.94 0.33 117.51 119.19 2yry h ILE 112 Ca -0.10 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.75 2yry h ILE 112 Cb 0.80 -0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 2yry h ILE 112 CO 0.17 0.05 -0.07 1.56 0.00 0.00 0.00 178.15 179.87 2yry h GLN 113 N 0.29 0.04 0.01 2.37 4.20 -1.20 1.87 115.11 122.69 2yry h GLN 113 Ca 0.68 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.39 2yry h GLN 113 Cb 1.51 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.28 2yry h GLN 113 CO -0.63 0.03 -0.01 0.00 -0.67 0.00 0.00 178.83 177.56 2yry h ALA 114 N 1.43 -0.02 0.65 3.87 0.00 -0.60 -3.09 119.26 121.50 2yry h ALA 114 Ca 0.22 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2yry h ALA 114 Cb 0.34 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2yry h ALA 114 CO -0.43 -0.06 -0.31 0.52 0.00 0.00 0.00 179.25 178.97 2yry h MET 115 N -0.93 -0.84 -0.87 0.00 2.86 -0.37 0.29 114.93 115.08 2yry h MET 115 Ca -0.00 0.06 0.22 0.00 -2.06 0.00 0.00 59.70 57.92 2yry h MET 115 Cb 0.79 0.19 -0.15 0.00 0.06 0.00 0.00 31.60 32.49 2yry h MET 115 CO 0.00 -0.56 0.09 0.78 1.06 0.00 0.00 176.91 178.28 2yry h GLY 116 N -1.01 1.14 0.46 8.32 0.00 0.27 0.13 103.07 112.39 2yry h GLY 116 Ca -0.09 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2yry h GLY 116 CO 0.15 -0.39 -0.12 0.83 0.00 0.00 0.00 176.54 177.01 2yry h GLU 117 N 0.11 -0.32 -1.17 4.80 5.08 -1.51 -3.09 114.58 118.47 2yry h GLU 117 Ca 0.52 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 59.23 2yry h GLU 117 Cb 1.01 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2yry h GLU 117 CO -0.75 0.04 0.82 0.00 -1.00 0.00 0.00 179.01 178.13 2yry h ALA 118 N -0.40 2.93 -0.12 3.43 0.00 0.52 0.14 119.26 125.76 2yry h ALA 118 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2yry h ALA 118 Cb 0.51 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yry h ALA 118 CO 0.06 -1.30 -0.03 0.00 0.00 0.00 0.00 179.25 177.98 2yry h ALA 119 N 1.46 0.16 -1.05 0.00 0.00 -0.73 -3.35 119.26 115.76 2yry h ALA 119 Ca 0.59 -0.23 -0.69 0.00 0.00 0.00 0.00 54.91 54.57 2yry h ALA 119 Cb 2.14 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 19.98 2yry h ALA 119 CO -0.09 -0.09 -0.36 0.54 0.00 0.00 0.00 179.25 179.25 2yry n ARG 120 N -4.74 0.07 -0.00 0.00 1.74 0.47 -4.08 116.66 110.11 2yry n ARG 120 Ca -0.06 0.02 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 2yry n ARG 120 Cb 0.25 -1.16 -0.12 0.00 -1.02 0.00 0.00 32.46 30.41 2yry n ARG 120 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2yry n VAL 121 N 0.38 0.85 0.38 1.55 0.31 -1.26 -4.92 118.33 115.62 2yry n VAL 121 Ca 0.18 -0.67 0.03 0.00 -0.01 0.00 0.00 64.34 63.88 2yry n VAL 121 Cb 0.21 -0.43 0.18 0.00 -0.91 0.00 0.00 33.84 32.89 2yry n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51