#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 -0.75 0.06 1.61 0.01 -1.26 -5.17 113.70 108.21 2yry s SER 2 Ca 0.00 1.35 0.03 0.00 1.31 0.00 0.00 55.95 58.64 2yry s SER 2 Cb 0.00 1.32 -0.04 0.00 0.21 0.00 0.00 66.02 67.51 2yry s SER 2 CO 0.00 -0.23 0.06 -0.44 0.41 0.00 0.00 173.24 173.04 2yry s SER 3 N 0.77 5.46 -0.30 2.44 0.01 -1.26 -5.11 113.70 115.72 2yry s SER 3 Ca -0.03 -0.01 -0.16 0.00 1.31 0.00 0.00 55.95 57.06 2yry s SER 3 Cb -0.05 -1.46 0.16 0.00 0.21 0.00 0.00 66.02 64.89 2yry s SER 3 CO -0.06 0.19 1.01 -0.83 0.41 0.00 0.00 173.24 173.97 2yry s GLY 4 N -2.23 -0.08 0.62 3.44 0.00 -1.26 -5.17 107.32 102.64 2yry s GLY 4 Ca 0.27 3.14 -0.06 0.00 0.00 0.00 0.00 44.72 48.07 2yry s GLY 4 CO 0.20 3.05 0.93 -0.56 0.00 0.00 0.00 173.10 176.71 2yry s SER 5 N 2.07 5.32 0.05 1.64 0.01 -1.26 -5.11 113.70 116.42 2yry s SER 5 Ca -0.04 0.57 -0.01 0.00 1.31 0.00 0.00 55.95 57.78 2yry s SER 5 Cb -0.05 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.69 2yry s SER 5 CO -0.16 -1.24 -0.03 -0.44 0.41 0.00 0.00 173.24 171.78 2yry s SER 6 N -4.38 0.48 1.14 2.44 0.01 -1.26 -5.07 113.70 107.06 2yry s SER 6 Ca 0.56 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2yry s SER 6 Cb -0.11 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2yry s SER 6 CO 0.44 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2yry n GLY 7 N 0.14 3.02 0.66 3.44 0.00 -1.26 -4.89 105.19 106.29 2yry n GLY 7 Ca -0.14 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.22 3.53 -0.02 0.00 -1.26 -4.98 105.19 102.68 2yry n GLY 8 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 2yry n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yry s LYS 9 N -1.81 3.93 -0.02 1.61 1.02 -1.26 -4.98 119.74 118.23 2yry s LYS 9 Ca 0.00 -2.03 -0.30 0.00 0.02 0.00 0.00 55.97 53.66 2yry s LYS 9 Cb 0.00 -5.31 -0.05 0.00 -0.52 0.00 0.00 37.83 31.96 2yry s LYS 9 CO 0.00 -2.05 1.33 1.03 -0.92 0.00 0.00 175.35 174.73 2yry s ARG 10 N 3.38 4.31 -0.60 1.68 0.52 -1.26 -4.99 118.95 121.99 2yry s ARG 10 Ca 0.47 1.86 -0.07 0.00 -0.52 0.00 0.00 55.73 57.47 2yry s ARG 10 Cb 0.00 -3.57 0.16 0.00 0.52 0.00 0.00 34.95 32.06 2yry s ARG 10 CO 0.01 -0.53 0.46 -1.54 0.02 0.00 0.00 175.30 173.73 2yry s SER 11 N 1.74 5.72 -0.28 0.23 1.04 -1.26 -5.02 113.70 115.87 2yry s SER 11 Ca 0.61 -2.45 -0.20 0.00 0.48 0.00 0.00 55.95 54.38 2yry s SER 11 Cb -0.29 -1.98 0.10 0.00 0.10 0.00 0.00 66.02 63.95 2yry s SER 11 CO 0.25 -0.53 0.84 -2.28 0.98 0.00 0.00 173.24 172.49 2yry s HIS 12 N 0.54 -0.76 0.02 5.02 5.04 -1.26 -5.18 115.29 118.71 2yry s HIS 12 Ca 0.13 1.65 -0.01 0.00 -1.54 0.00 0.00 55.06 55.30 2yry s HIS 12 Cb -0.20 0.42 -0.02 0.00 0.04 0.00 0.00 32.58 32.82 2yry s HIS 12 CO -0.04 -0.37 -0.01 0.45 -2.34 0.00 0.00 174.74 172.43 2yry s SER 13 N 0.93 0.20 -0.11 9.88 0.15 -1.26 -5.14 113.70 118.34 2yry s SER 13 Ca -0.04 -0.42 -0.19 0.00 0.70 0.00 0.00 55.95 56.00 2yry s SER 13 Cb -0.05 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.32 2yry s SER 13 CO -0.10 -0.27 0.50 -0.32 1.20 0.00 0.00 173.24 174.24 2yry s MET 14 N -1.28 4.34 0.04 5.44 1.75 -1.26 -5.07 119.30 123.27 2yry s MET 14 Ca -0.14 0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 54.76 2yry s MET 14 Cb -0.09 -3.43 -0.02 0.00 2.84 0.00 0.00 34.83 34.13 2yry s MET 14 CO -0.01 0.16 0.03 -1.59 -0.65 0.00 0.00 175.02 172.96 2yry s LYS 15 N 0.61 0.57 -0.14 4.11 -2.85 -1.26 -5.02 119.74 115.77 2yry s LYS 15 Ca 0.27 -0.95 -0.06 0.00 -1.00 0.00 0.00 55.97 54.23 2yry s LYS 15 Cb -0.15 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.79 2yry s LYS 15 CO 0.11 -0.13 0.06 0.50 0.10 0.00 0.00 175.35 176.00 2yry s ARG 16 N -3.11 3.59 -0.06 1.78 6.06 -1.26 -5.06 118.95 120.89 2yry s ARG 16 Ca -0.01 -0.31 0.03 0.00 -2.50 0.00 0.00 55.73 52.95 2yry s ARG 16 Cb 0.02 -3.10 -0.03 0.00 0.06 0.00 0.00 34.95 31.91 2yry s ARG 16 CO -0.07 0.51 -0.14 -0.80 -2.50 0.00 0.00 175.30 172.30 2yry s ASN 17 N -0.30 4.06 0.47 -2.12 0.01 -1.26 -5.01 114.94 110.79 2yry s ASN 17 Ca 0.09 -0.20 0.26 0.00 -0.71 0.00 0.00 52.86 52.30 2yry s ASN 17 Cb -0.12 -0.92 1.10 0.00 0.41 0.00 0.00 41.25 41.72 2yry s ASN 17 CO 0.02 0.33 1.90 1.55 -1.51 0.00 0.00 177.10 179.39 2yry h PRO 18 N 5.44 0.00 -0.32 -0.60 0.13 -2.04 -3.07 132.00 131.54 2yry h PRO 18 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 2yry h PRO 18 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2yry h PRO 18 CO 0.51 0.18 -0.26 -0.91 -0.23 0.00 0.00 178.00 177.28 2yry h ASN 19 N 0.00 0.80 -2.57 1.44 2.35 -2.05 -3.43 115.58 112.11 2yry h ASN 19 Ca -0.00 -0.45 -0.53 0.00 -0.55 0.00 0.00 56.30 54.77 2yry h ASN 19 Cb 0.62 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 38.79 2yry h ASN 19 CO 0.02 1.08 1.09 0.00 -1.65 0.00 0.00 177.43 177.97 2yry s ALA 20 N -4.45 3.68 0.19 -0.83 0.00 -1.16 -4.95 121.76 114.25 2yry s ALA 20 Ca -0.12 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 2yry s ALA 20 Cb 0.09 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 2yry s ALA 20 CO 0.84 -1.27 1.31 -1.25 0.00 0.00 0.00 175.76 175.38 2yry s PRO 21 N 3.19 4.39 -0.14 0.00 0.04 -1.26 -4.90 135.00 136.31 2yry s PRO 21 Ca 0.79 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.58 2yry s PRO 21 Cb -0.41 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.87 2yry s PRO 21 CO 0.35 -0.26 2.07 0.54 0.04 0.00 0.00 177.00 179.74 2yry s VAL 22 N 0.17 3.09 0.04 -0.36 0.11 -1.26 -4.64 120.40 117.55 2yry s VAL 22 Ca 0.57 0.10 -0.28 0.00 -2.93 0.00 0.00 61.98 59.45 2yry s VAL 22 Cb -0.36 -3.10 -0.17 0.00 -1.53 0.00 0.00 36.38 31.22 2yry s VAL 22 CO 0.38 -0.05 1.40 0.74 -3.33 0.00 0.00 175.10 174.24 2yry h THR 23 N 6.57 0.54 -2.06 5.04 2.02 0.07 -3.46 112.91 121.63 2yry h THR 23 Ca -0.43 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 2yry h THR 23 Cb 1.23 0.68 -0.21 0.00 -1.74 0.00 0.00 68.15 68.10 2yry h THR 23 CO 0.96 0.05 0.04 -0.75 0.37 0.00 0.00 175.52 176.19 2yry s LYS 24 N -5.28 0.73 -0.04 6.66 2.20 -1.19 -4.98 119.74 117.85 2yry s LYS 24 Ca -0.15 1.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.56 2yry s LYS 24 Cb 0.03 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.61 2yry s LYS 24 CO 0.57 -0.13 -0.04 0.00 -0.36 0.00 0.00 175.35 175.39 2yry s ALA 25 N 1.08 0.60 -0.02 3.13 0.00 -1.26 -0.10 121.76 125.18 2yry s ALA 25 Ca -0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 2yry s ALA 25 Cb -0.05 -0.36 0.09 0.00 0.00 0.00 0.00 23.12 22.80 2yry s ALA 25 CO -0.11 0.01 0.78 0.20 0.00 0.00 0.00 175.76 176.65 2yry s GLY 26 N 0.76 -0.49 -0.42 0.00 0.00 -0.53 -5.00 107.32 101.64 2yry s GLY 26 Ca -0.10 1.24 -0.28 0.00 0.00 0.00 0.00 44.72 45.58 2yry s GLY 26 CO -0.00 0.67 1.58 -0.98 0.00 0.00 0.00 173.10 174.37 2yry s TRP 27 N -2.14 2.12 0.50 1.90 0.52 -1.26 -2.11 118.94 118.47 2yry s TRP 27 Ca -0.03 0.64 0.01 0.00 0.02 0.00 0.00 56.10 56.74 2yry s TRP 27 Cb -0.01 -4.24 -0.02 0.00 -1.15 0.00 0.00 33.47 28.05 2yry s TRP 27 CO -0.01 -2.34 0.00 -0.51 0.02 0.00 0.00 176.95 174.12 2yry s LEU 28 N 6.32 2.31 -0.17 2.99 1.43 -1.02 -4.90 118.68 125.64 2yry s LEU 28 Ca 0.67 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 2yry s LEU 28 Cb -0.16 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.34 2yry s LEU 28 CO 0.31 -0.84 -0.15 -0.36 0.23 0.00 0.00 176.35 175.54 2yry s PHE 29 N -2.88 2.79 -0.55 0.29 0.40 -1.19 -1.05 117.98 115.80 2yry s PHE 29 Ca 0.07 -1.16 -0.16 0.00 -0.60 0.00 0.00 56.93 55.08 2yry s PHE 29 Cb 0.02 -1.91 0.13 0.00 0.51 0.00 0.00 43.02 41.77 2yry s PHE 29 CO 0.04 -0.55 0.51 0.21 0.70 0.00 0.00 175.22 176.13 2yry s LYS 30 N 0.98 3.00 0.51 0.44 2.20 -1.08 -2.50 119.74 123.28 2yry s LYS 30 Ca -0.02 -1.70 -0.19 0.00 -0.36 0.00 0.00 55.97 53.70 2yry s LYS 30 Cb -0.15 -4.30 -0.11 0.00 -1.51 0.00 0.00 37.83 31.76 2yry s LYS 30 CO -0.03 -1.34 0.40 0.94 -0.36 0.00 0.00 175.35 174.96 2yry n GLN 31 N 5.30 0.43 -3.87 4.03 7.27 -1.25 -2.90 117.38 126.37 2yry n GLN 31 Ca -0.13 0.16 -0.37 0.00 0.07 0.00 0.00 57.00 56.73 2yry n GLN 31 Cb 0.40 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.49 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 -1.70 3.88 -0.07 1.69 0.00 -1.25 -4.87 121.76 119.45 2yry s ALA 32 Ca 0.65 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 2yry s ALA 32 Cb -0.50 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 2yry s ALA 32 CO 0.58 0.63 -0.08 0.43 0.00 0.00 0.00 175.76 177.32 2yry n SER 33 N 1.85 1.47 -4.73 0.00 7.64 -1.26 -4.60 113.62 113.99 2yry n SER 33 Ca -0.19 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.32 2yry n SER 33 Cb 0.55 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2yry n SER 33 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yry s SER 34 N -5.31 6.85 1.18 6.43 0.01 -1.26 -4.76 113.70 116.84 2yry s SER 34 Ca -0.09 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.53 2yry s SER 34 Cb 0.03 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2yry s SER 34 CO 0.13 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2yry n GLY 35 N 2.99 3.35 3.24 3.44 0.00 -1.26 -4.67 105.19 112.29 2yry n GLY 35 Ca 0.09 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.00 -3.18 1.61 3.14 -1.26 -4.97 118.33 113.67 2yry n VAL 36 Ca 0.00 -0.25 -0.23 0.00 -2.96 0.00 0.00 64.34 60.90 2yry n VAL 36 Cb 0.00 -0.49 -0.05 0.00 -1.06 0.00 0.00 33.84 32.24 2yry n VAL 36 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2yry n LYS 37 N -1.13 1.63 -4.93 1.45 -0.00 -1.26 -4.30 118.16 109.61 2yry n LYS 37 Ca 0.01 -3.86 -0.33 0.00 -0.00 0.00 0.00 58.31 54.14 2yry n LYS 37 Cb 0.63 -1.77 -0.16 0.00 -0.00 0.00 0.00 35.03 33.73 2yry n LYS 37 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 2yry s GLN 38 N -2.28 3.22 0.06 -1.58 -2.07 -1.26 -4.80 119.66 110.94 2yry s GLN 38 Ca 0.40 -0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 2yry s GLN 38 Cb 0.25 -2.49 -0.09 0.00 -1.09 0.00 0.00 33.01 29.59 2yry s GLN 38 CO -0.09 0.18 1.83 -1.58 -1.32 0.00 0.00 175.29 174.31 2yry s TRP 39 N 0.40 1.84 -0.51 9.60 0.52 -1.26 -3.89 118.94 125.64 2yry s TRP 39 Ca -0.14 -0.11 -0.11 0.00 0.02 0.00 0.00 56.10 55.77 2yry s TRP 39 Cb -0.17 -4.14 0.13 0.00 -1.15 0.00 0.00 33.47 28.15 2yry s TRP 39 CO 0.06 -4.84 0.41 -0.80 0.02 0.00 0.00 176.95 171.80 2yry s ASN 40 N 3.39 5.87 0.04 2.95 0.01 -1.14 -4.90 114.94 121.17 2yry s ASN 40 Ca 0.82 -1.95 -0.30 0.00 -0.71 0.00 0.00 52.86 50.72 2yry s ASN 40 Cb -0.42 -2.07 -0.09 0.00 0.41 0.00 0.00 41.25 39.08 2yry s ASN 40 CO 0.37 -0.72 1.96 1.17 -1.51 0.00 0.00 177.10 178.36 2yry n LYS 41 N 4.92 2.84 -4.10 -0.60 4.81 -1.26 -2.64 118.16 122.13 2yry n LYS 41 Ca -0.08 1.04 -0.08 0.00 -0.87 0.00 0.00 58.31 58.32 2yry n LYS 41 Cb 0.41 -2.99 -0.10 0.00 0.02 0.00 0.00 35.03 32.37 2yry n LYS 41 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2yry s ARG 42 N 4.29 0.63 -0.21 1.64 1.81 -0.22 -4.96 118.95 121.94 2yry s ARG 42 Ca 0.89 -1.18 -0.29 0.00 -1.72 0.00 0.00 55.73 53.42 2yry s ARG 42 Cb -0.45 0.10 -0.01 0.00 -0.45 0.00 0.00 34.95 34.13 2yry s ARG 42 CO 0.42 -0.08 1.35 -0.46 -0.68 0.00 0.00 175.30 175.85 2yry s TRP 43 N -3.58 2.63 -0.13 -0.53 -0.00 -0.98 -2.42 118.94 113.92 2yry s TRP 43 Ca 0.06 0.84 -0.07 0.00 -0.00 0.00 0.00 56.10 56.92 2yry s TRP 43 Cb 0.05 -3.73 -0.04 0.00 -0.00 0.00 0.00 33.47 29.75 2yry s TRP 43 CO -0.08 -2.03 0.13 -0.06 -0.00 0.00 0.00 176.95 174.91 2yry s PHE 44 N 4.06 3.55 -0.02 5.86 0.40 -0.90 -0.63 117.98 130.29 2yry s PHE 44 Ca 0.59 0.48 -0.00 0.00 -0.60 0.00 0.00 56.93 57.39 2yry s PHE 44 Cb -0.21 -1.97 0.03 0.00 0.51 0.00 0.00 43.02 41.38 2yry s PHE 44 CO 0.20 0.65 0.04 0.08 0.70 0.00 0.00 175.22 176.89 2yry s VAL 45 N -0.78 -0.06 -0.34 -0.44 1.01 0.78 -1.45 120.40 119.11 2yry s VAL 45 Ca 0.14 0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 2yry s VAL 45 Cb -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.17 2yry s VAL 45 CO 0.03 0.10 0.19 -0.22 0.00 0.00 0.00 175.10 175.20 2yry s LEU 46 N 1.18 4.39 -0.05 3.92 2.96 0.85 0.02 118.68 131.95 2yry s LEU 46 Ca -0.08 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.16 2yry s LEU 46 Cb -0.13 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2yry s LEU 46 CO -0.03 -0.26 0.11 -0.69 -1.32 0.00 0.00 176.35 174.16 2yry s VAL 47 N 1.62 -0.03 -1.18 1.68 1.01 -0.04 0.84 120.40 124.30 2yry s VAL 47 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2yry s VAL 47 Cb -0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 2yry s VAL 47 CO 0.07 0.04 0.94 -0.67 0.00 0.00 0.00 175.10 175.49 2yry n ASP 48 N 3.65 -2.98 -2.25 3.32 2.03 -1.26 -1.67 116.55 117.39 2yry n ASP 48 Ca -0.20 -0.67 -0.08 0.00 0.52 0.00 0.00 54.79 54.36 2yry n ASP 48 Cb 0.55 -4.99 -0.01 0.00 -0.72 0.00 0.00 41.12 35.95 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 -3.96 -2.30 -4.14 -0.67 1.74 -1.26 -4.90 116.66 101.18 2yry n ARG 49 Ca -0.24 0.38 -0.16 0.00 -0.77 0.00 0.00 57.85 57.06 2yry n ARG 49 Cb 0.66 -4.87 -0.11 0.00 -1.02 0.00 0.00 32.46 27.12 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 -1.86 4.05 -0.11 0.00 0.20 -0.96 -0.86 118.68 119.15 2yry s LEU 51 Ca -0.03 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.95 2yry s LEU 51 Cb -0.08 -2.04 0.03 0.00 -0.43 0.00 0.00 46.19 43.66 2yry s LEU 51 CO 0.01 0.17 -0.05 -0.36 -0.29 0.00 0.00 176.35 175.83 2yry s PHE 52 N 0.42 1.28 -0.23 5.38 0.08 0.10 -2.07 117.98 122.94 2yry s PHE 52 Ca 0.06 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.43 2yry s PHE 52 Cb -0.12 -1.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2yry s PHE 52 CO -0.01 -0.48 0.02 1.52 -0.10 0.00 0.00 175.22 176.17 2yry s TYR 53 N 1.78 3.03 0.18 0.36 1.13 -1.26 -0.16 117.35 122.41 2yry s TYR 53 Ca 0.04 -0.62 0.05 0.00 -1.41 0.00 0.00 57.07 55.14 2yry s TYR 53 Cb -0.13 -2.17 -0.04 0.00 -1.10 0.00 0.00 41.96 38.53 2yry s TYR 53 CO -0.07 -0.41 0.18 0.71 -2.51 0.00 0.00 175.55 173.45 2yry s TYR 54 N 1.48 3.22 0.32 -3.49 1.51 0.19 -3.32 117.35 117.26 2yry s TYR 54 Ca 0.06 -0.01 0.09 0.00 -1.01 0.00 0.00 57.07 56.20 2yry s TYR 54 Cb -0.15 -1.53 0.84 0.00 -0.11 0.00 0.00 41.96 41.02 2yry s TYR 54 CO 0.01 0.52 1.77 1.57 -1.11 0.00 0.00 175.55 178.30 2yry h LYS 55 N 2.17 0.63 0.00 -0.62 2.10 -1.87 -2.60 116.57 116.39 2yry h LYS 55 Ca -0.48 -0.04 -0.12 0.00 -2.00 0.00 0.00 60.65 58.01 2yry h LYS 55 Cb 1.21 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.37 2yry h LYS 55 CO 0.64 0.42 0.08 -0.25 -2.00 0.00 0.00 179.45 178.33 2yry n ASP 56 N -4.77 -1.62 0.29 7.07 8.00 -1.26 -4.44 116.55 119.81 2yry n ASP 56 Ca 0.24 -2.48 0.19 0.00 0.71 0.00 0.00 54.79 53.46 2yry n ASP 56 Cb 0.66 2.80 1.02 0.00 -0.02 0.00 0.00 41.12 45.58 2yry n ASP 56 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2yry h GLU 57 N 0.00 0.00 -0.79 -1.24 -0.00 -1.95 -2.16 114.58 108.44 2yry h GLU 57 Ca -0.26 0.00 0.13 0.00 -0.00 0.00 0.00 59.36 59.22 2yry h GLU 57 Cb 1.04 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.74 2yry h GLU 57 CO 0.34 0.00 0.52 0.87 -0.00 0.00 0.00 179.01 180.74 2yry h LYS 58 N 0.00 0.56 -5.83 1.06 1.57 -1.96 -3.46 116.57 108.52 2yry h LYS 58 Ca 0.00 -0.03 -0.38 0.00 -1.87 0.00 0.00 60.65 58.37 2yry h LYS 58 Cb 0.03 -0.13 0.13 0.00 0.08 0.00 0.00 32.23 32.34 2yry h LYS 58 CO 0.00 0.37 -0.75 0.39 -0.57 0.00 0.00 179.45 178.89 2yry n GLU 59 N -4.51 -6.66 0.26 3.15 1.02 -0.81 -4.94 120.64 108.15 2yry n GLU 59 Ca 0.15 0.79 -0.10 0.00 -0.02 0.00 0.00 57.16 57.97 2yry n GLU 59 Cb 0.44 -5.74 -0.05 0.00 -0.02 0.00 0.00 31.44 26.08 2yry n GLU 59 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2yry h GLU 60 N -2.14 -0.66 -3.58 3.49 4.39 -1.89 -3.47 114.58 110.73 2yry h GLU 60 Ca -0.59 0.04 -0.16 0.00 0.34 0.00 0.00 59.36 58.99 2yry h GLU 60 Cb 1.35 0.15 -0.22 0.00 -0.10 0.00 0.00 28.75 29.93 2yry h GLU 60 CO 0.54 -0.44 -0.55 0.45 -1.16 0.00 0.00 179.01 177.85 2yry s SER 61 N -3.70 0.02 -0.04 1.42 0.15 -1.26 -5.12 113.70 105.17 2yry s SER 61 Ca -0.10 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 2yry s SER 61 Cb 0.01 0.20 -0.05 0.00 -1.71 0.00 0.00 66.02 64.47 2yry s SER 61 CO 0.30 -0.27 1.55 -0.63 1.20 0.00 0.00 173.24 175.39 2yry s ILE 62 N -1.00 3.62 0.03 6.45 1.01 -1.26 -4.56 121.20 125.49 2yry s ILE 62 Ca -0.11 0.87 -0.16 0.00 0.00 0.00 0.00 60.65 61.25 2yry s ILE 62 Cb -0.06 -3.56 -0.34 0.00 0.01 0.00 0.00 42.46 38.51 2yry s ILE 62 CO 0.01 -0.05 1.02 -0.07 0.00 0.00 0.00 174.94 175.85 2yry h LEU 63 N 9.49 0.86 -6.35 2.97 3.38 -1.95 -3.46 115.31 120.25 2yry h LEU 63 Ca -0.38 -0.89 0.13 0.00 0.09 0.00 0.00 57.88 56.83 2yry h LEU 63 Cb 1.17 -0.28 -0.21 0.00 0.09 0.00 0.00 40.66 41.43 2yry h LEU 63 CO 0.94 1.68 -0.05 -0.83 0.09 0.00 0.00 178.44 180.27 2yry s GLY 64 N -4.55 -0.63 0.12 0.83 0.00 -1.26 -5.10 107.32 96.72 2yry s GLY 64 Ca -0.09 2.41 -0.19 0.00 0.00 0.00 0.00 44.72 46.85 2yry s GLY 64 CO 0.94 3.36 0.60 -1.35 0.00 0.00 0.00 173.10 176.65 2yry s SER 65 N 2.80 7.03 -0.15 1.64 1.04 -1.26 -4.04 113.70 120.76 2yry s SER 65 Ca 0.05 1.26 -0.04 0.00 0.48 0.00 0.00 55.95 57.71 2yry s SER 65 Cb -0.11 -2.36 0.05 0.00 0.10 0.00 0.00 66.02 63.70 2yry s SER 65 CO -0.18 0.20 0.07 -0.63 0.98 0.00 0.00 173.24 173.68 2yry s ILE 66 N -1.25 0.04 -0.20 -1.02 1.01 -0.88 -5.05 121.20 113.85 2yry s ILE 66 Ca 0.33 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 2yry s ILE 66 Cb -0.18 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 2yry s ILE 66 CO 0.20 -0.15 1.59 -2.16 0.00 0.00 0.00 174.94 174.42 2yry s PRO 67 N 2.09 3.86 0.01 2.79 0.04 -1.26 -2.25 135.00 140.27 2yry s PRO 67 Ca 0.02 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 2yry s PRO 67 Cb -0.15 -4.01 -0.26 0.00 0.04 0.00 0.00 34.50 30.11 2yry s PRO 67 CO -0.08 -1.21 0.88 -0.07 0.04 0.00 0.00 177.00 176.57 2yry h LEU 68 N 11.42 0.30 -0.90 -3.56 3.38 -1.90 -3.32 115.31 120.73 2yry h LEU 68 Ca -0.34 -0.42 0.19 0.00 0.09 0.00 0.00 57.88 57.40 2yry h LEU 68 Cb 1.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2yry h LEU 68 CO 1.00 1.35 1.05 0.17 0.09 0.00 0.00 178.44 182.10 2yry h LEU 69 N 0.05 0.00 -4.05 1.67 8.10 -1.61 1.27 115.31 120.75 2yry h LEU 69 Ca -0.22 0.00 -0.59 0.00 0.11 0.00 0.00 57.88 57.18 2yry h LEU 69 Cb 1.99 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 41.81 2yry h LEU 69 CO 0.15 0.00 -0.43 -0.24 -4.11 0.00 0.00 178.44 173.81 2yry n SER 70 N -3.07 5.45 -3.67 0.17 2.88 -1.25 -4.52 113.62 109.61 2yry n SER 70 Ca 0.14 -3.75 -0.15 0.00 -1.33 0.00 0.00 58.87 53.78 2yry n SER 70 Cb 1.25 -0.51 -0.07 0.00 -0.75 0.00 0.00 64.21 64.12 2yry n SER 70 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2yry s PHE 71 N -3.65 1.26 -0.37 0.66 0.40 0.44 -4.44 117.98 112.26 2yry s PHE 71 Ca 0.52 -1.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 2yry s PHE 71 Cb 0.42 -0.42 0.13 0.00 0.51 0.00 0.00 43.02 43.66 2yry s PHE 71 CO -0.05 -0.87 0.19 1.03 0.70 0.00 0.00 175.22 176.22 2yry s ARG 72 N -3.65 0.87 0.34 0.44 0.52 0.30 -4.34 118.95 113.43 2yry s ARG 72 Ca 0.36 -1.50 -0.27 0.00 -0.52 0.00 0.00 55.73 53.80 2yry s ARG 72 Cb 0.03 -1.88 -0.09 0.00 0.52 0.00 0.00 34.95 33.53 2yry s ARG 72 CO 0.19 -1.13 1.14 0.08 0.02 0.00 0.00 175.30 175.60 2yry s VAL 73 N 0.96 3.33 -0.30 3.52 1.01 -1.26 -2.14 120.40 125.53 2yry s VAL 73 Ca 0.15 1.22 -0.16 0.00 0.00 0.00 0.00 61.98 63.19 2yry s VAL 73 Cb -0.22 -3.73 0.18 0.00 0.00 0.00 0.00 36.38 32.61 2yry s VAL 73 CO -0.08 0.20 1.12 0.00 0.00 0.00 0.00 175.10 176.35 2yry s ALA 74 N -1.31 -2.57 0.99 5.51 0.00 -1.02 -4.85 121.76 118.51 2yry s ALA 74 Ca 0.51 2.06 -0.17 0.00 0.00 0.00 0.00 51.96 54.36 2yry s ALA 74 Cb -0.31 -1.91 -0.13 0.00 0.00 0.00 0.00 23.12 20.77 2yry s ALA 74 CO 0.40 -0.45 -0.69 0.00 0.00 0.00 0.00 175.76 175.01 2yry n ALA 75 N 3.65 -5.20 -1.49 0.00 0.00 -1.26 -2.70 120.51 113.50 2yry n ALA 75 Ca -0.16 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.29 2yry n ALA 75 Cb 0.56 -1.20 0.17 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.04 1.92 0.27 0.00 -7.23 -0.52 -4.66 120.40 108.13 2yry s VAL 76 Ca 0.42 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.68 2yry s VAL 76 Cb -0.18 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2yry s VAL 76 CO 0.81 0.00 0.02 -1.10 -0.31 0.00 0.00 175.10 174.52 2yry s GLN 77 N -5.39 2.36 0.00 4.82 -0.21 -1.26 -5.01 119.66 114.97 2yry s GLN 77 Ca 0.67 -1.39 0.14 0.00 0.02 0.00 0.00 55.36 54.81 2yry s GLN 77 Cb -0.12 -2.20 0.63 0.00 1.00 0.00 0.00 33.01 32.32 2yry s GLN 77 CO 0.54 0.36 1.44 -0.35 -2.12 0.00 0.00 175.29 175.16 2yry n PRO 78 N -0.94 0.04 0.09 2.91 -0.04 -1.26 -2.14 135.00 133.67 2yry n PRO 78 Ca -0.06 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2yry n PRO 78 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 2yry n PRO 78 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yry n SER 79 N -1.46 0.76 -4.75 3.54 3.41 -1.26 -4.93 113.62 108.93 2yry n SER 79 Ca 0.04 0.30 -0.32 0.00 -0.26 0.00 0.00 58.87 58.62 2yry n SER 79 Cb 0.16 0.60 0.08 0.00 -0.26 0.00 0.00 64.21 64.78 2yry n SER 79 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2yry s ASP 80 N -5.29 4.62 -0.56 4.04 -1.08 -0.91 -4.93 116.67 112.55 2yry s ASP 80 Ca -0.01 2.02 -0.03 0.00 -0.52 0.00 0.00 52.55 54.01 2yry s ASP 80 Cb 0.10 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.22 2yry s ASP 80 CO 0.80 -1.96 2.35 0.59 0.52 0.00 0.00 175.17 177.47 2yry n ASN 81 N -2.93 6.91 -4.21 -0.34 5.03 -1.26 -4.87 115.26 113.59 2yry n ASN 81 Ca 0.11 -3.42 -0.39 0.00 0.87 0.00 0.00 54.58 51.75 2yry n ASN 81 Cb 0.52 -1.13 -0.10 0.00 -1.02 0.00 0.00 39.78 38.05 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 -3.31 3.90 0.12 2.41 1.01 -1.26 -4.96 121.20 119.10 2yry s ILE 82 Ca 0.53 -1.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.33 2yry s ILE 82 Cb 0.39 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 39.31 2yry s ILE 82 CO -0.20 -0.59 1.78 0.77 0.00 0.00 0.00 174.94 176.69 2yry h SER 83 N 8.30 0.23 -3.08 3.58 4.64 -2.01 -3.43 113.55 121.78 2yry h SER 83 Ca -0.20 -0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.55 2yry h SER 83 Cb 1.07 -0.05 0.10 0.00 -0.31 0.00 0.00 62.40 63.20 2yry h SER 83 CO 0.75 0.16 0.61 0.54 -0.87 0.00 0.00 176.83 178.03 2yry n ARG 84 N -4.95 2.19 -2.70 4.77 1.74 -1.26 -5.00 116.66 111.45 2yry n ARG 84 Ca -0.03 0.78 -0.22 0.00 -0.77 0.00 0.00 57.85 57.61 2yry n ARG 84 Cb 0.03 -2.42 0.07 0.00 -1.02 0.00 0.00 32.46 29.12 2yry n ARG 84 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2yry s LYS 85 N -1.12 2.11 -1.34 5.56 1.02 -1.26 -4.55 119.74 120.17 2yry s LYS 85 Ca 0.62 -1.11 -0.00 0.00 0.02 0.00 0.00 55.97 55.50 2yry s LYS 85 Cb -0.59 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 2yry s LYS 85 CO 0.55 -1.06 0.61 0.72 -0.92 0.00 0.00 175.35 175.25 2yry n HIS 86 N -2.53 -1.82 -4.24 3.18 8.25 -1.26 -4.27 115.22 112.52 2yry n HIS 86 Ca 0.13 0.81 -0.23 0.00 -0.26 0.00 0.00 57.72 58.16 2yry n HIS 86 Cb 0.60 -4.19 -0.07 0.00 1.12 0.00 0.00 29.99 27.46 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 -3.77 3.74 -0.19 1.59 2.01 -1.26 -1.90 115.64 115.87 2yry s THR 87 Ca 0.00 -1.71 -0.12 0.00 0.31 0.00 0.00 61.69 60.17 2yry s THR 87 Cb -0.00 -2.99 0.06 0.00 0.01 0.00 0.00 72.50 69.58 2yry s THR 87 CO 0.84 -0.33 0.48 0.72 -0.69 0.00 0.00 174.62 175.64 2yry s PHE 88 N -2.18 -0.67 0.07 4.92 -0.71 0.26 -1.44 117.98 118.23 2yry s PHE 88 Ca 0.31 1.45 0.09 0.00 -1.04 0.00 0.00 56.93 57.74 2yry s PHE 88 Cb -0.07 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 42.02 2yry s PHE 88 CO 0.21 -0.36 -0.23 -1.59 -1.34 0.00 0.00 175.22 171.92 2yry s LYS 89 N 1.17 1.80 -0.14 1.99 0.00 -1.10 -0.67 119.74 122.79 2yry s LYS 89 Ca -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 55.97 54.73 2yry s LYS 89 Cb -0.07 -2.05 -0.03 0.00 0.00 0.00 0.00 37.83 35.69 2yry s LYS 89 CO -0.11 0.50 -0.02 0.00 0.00 0.00 0.00 175.35 175.73 2yry s ALA 90 N -0.94 3.11 -0.03 0.59 0.00 0.21 -2.43 121.76 122.27 2yry s ALA 90 Ca 0.14 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.35 2yry s ALA 90 Cb -0.10 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 2yry s ALA 90 CO 0.05 0.30 -0.20 -1.83 0.00 0.00 0.00 175.76 174.08 2yry s GLU 91 N 0.07 1.77 0.00 0.00 -1.05 -0.91 -0.48 118.70 118.09 2yry s GLU 91 Ca 0.01 -0.70 0.15 0.00 -0.15 0.00 0.00 54.97 54.28 2yry s GLU 91 Cb -0.13 -1.62 -0.06 0.00 -0.44 0.00 0.00 34.13 31.88 2yry s GLU 91 CO 0.02 0.37 0.74 1.58 0.95 0.00 0.00 175.26 178.92 2yry n HIS 92 N 2.80 0.00 -3.65 4.83 -0.00 -1.19 0.11 115.22 118.12 2yry n HIS 92 Ca -0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.34 2yry n HIS 92 Cb 0.53 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.56 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 -0.57 -2.12 0.00 1.57 0.00 -1.26 -4.65 120.51 113.48 2yry n ALA 93 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2yry n ALA 93 Cb 0.28 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 -1.54 0.00 0.46 0.00 0.00 -1.26 -5.05 105.19 97.80 2yry n GLY 94 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2yry n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yry n VAL 95 N -0.30 0.00 -3.69 1.61 0.31 -1.26 -5.15 118.33 109.86 2yry n VAL 95 Ca 0.00 0.24 -0.04 0.00 -0.01 0.00 0.00 64.34 64.52 2yry n VAL 95 Cb 0.00 -1.22 0.02 0.00 -0.91 0.00 0.00 33.84 31.73 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 -2.42 0.65 -3.83 5.55 0.00 -1.26 -5.07 116.66 110.29 2yry n ARG 96 Ca 0.00 -1.36 -0.30 0.00 -0.00 0.00 0.00 57.85 56.19 2yry n ARG 96 Cb 0.00 1.76 -0.15 0.00 -0.00 0.00 0.00 32.46 34.07 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2yry s THR 97 N -2.26 1.16 0.51 8.89 2.01 -1.26 -3.14 115.64 121.55 2yry s THR 97 Ca 0.14 -1.31 -0.17 0.00 0.31 0.00 0.00 61.69 60.66 2yry s THR 97 Cb -0.03 -1.71 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 2yry s THR 97 CO 0.06 -0.42 0.99 -0.31 -0.69 0.00 0.00 174.62 174.25 2yry s TYR 98 N 1.51 3.33 0.18 4.92 2.02 0.37 -4.82 117.35 124.87 2yry s TYR 98 Ca 0.04 1.50 0.10 0.00 -0.37 0.00 0.00 57.07 58.34 2yry s TYR 98 Cb -0.18 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 2yry s TYR 98 CO -0.15 -0.46 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.11 2yry s PHE 99 N -2.49 2.02 -0.25 2.71 0.40 -1.26 0.68 117.98 119.79 2yry s PHE 99 Ca 0.61 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 56.43 2yry s PHE 99 Cb -0.11 -0.99 0.11 0.00 0.51 0.00 0.00 43.02 42.54 2yry s PHE 99 CO 0.28 0.42 0.53 -0.06 0.70 0.00 0.00 175.22 177.09 2yry s PHE 100 N -1.96 -1.07 0.20 0.36 0.08 0.15 -3.85 117.98 111.90 2yry s PHE 100 Ca 0.19 1.88 0.03 0.00 0.12 0.00 0.00 56.93 59.14 2yry s PHE 100 Cb -0.06 0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 42.88 2yry s PHE 100 CO 0.08 -0.59 0.34 0.45 -0.10 0.00 0.00 175.22 175.41 2yry s SER 101 N 2.75 6.33 0.01 1.36 0.15 -1.04 -0.57 113.70 122.69 2yry s SER 101 Ca -0.02 0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.82 2yry s SER 101 Cb -0.12 -1.90 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 2yry s SER 101 CO -0.16 -0.03 -0.10 0.00 1.20 0.00 0.00 173.24 174.15 2yry s ALA 102 N -1.89 0.85 0.10 5.45 0.00 -0.80 -3.17 121.76 122.30 2yry s ALA 102 Ca 0.35 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 2yry s ALA 102 Cb -0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 2yry s ALA 102 CO 0.29 0.17 1.60 0.93 0.00 0.00 0.00 175.76 178.75 2yry h GLU 103 N 5.44 0.45 -6.52 0.00 5.08 -1.88 -3.42 114.58 113.73 2yry h GLU 103 Ca -0.33 -0.11 -0.64 0.00 -1.00 0.00 0.00 59.36 57.28 2yry h GLU 103 Cb 1.18 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.21 2yry h GLU 103 CO 0.47 0.53 -0.77 -1.54 -1.00 0.00 0.00 179.01 176.69 2yry s SER 104 N -5.82 3.81 0.54 1.42 1.04 -1.26 -4.99 113.70 108.45 2yry s SER 104 Ca -0.13 -0.74 0.33 0.00 0.48 0.00 0.00 55.95 55.88 2yry s SER 104 Cb 0.08 -0.47 1.37 0.00 0.10 0.00 0.00 66.02 67.10 2yry s SER 104 CO 0.74 0.11 1.99 1.55 0.98 0.00 0.00 173.24 178.60 2yry h PRO 105 N 3.03 0.00 0.00 4.02 0.13 -1.91 -2.69 132.00 134.58 2yry h PRO 105 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 2yry h PRO 105 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2yry h PRO 105 CO 0.51 0.03 -0.33 0.93 -0.23 0.00 0.00 178.00 178.91 2yry h GLU 106 N 0.00 0.00 0.15 0.86 5.08 -1.98 -2.76 114.58 115.93 2yry h GLU 106 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 2yry h GLU 106 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2yry h GLU 106 CO 0.00 0.33 -1.35 0.93 -1.00 0.00 0.00 179.01 177.92 2yry h GLU 107 N 0.00 0.31 0.27 2.33 5.08 -1.90 -3.07 114.58 117.59 2yry h GLU 107 Ca -0.00 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 2yry h GLU 107 Cb 0.92 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2yry h GLU 107 CO 0.04 1.25 -0.16 0.37 -1.00 0.00 0.00 179.01 179.52 2yry h GLN 108 N -0.21 -0.39 -0.44 2.33 4.15 -1.55 0.26 115.11 119.26 2yry h GLN 108 Ca -0.27 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.19 2yry h GLN 108 Cb 1.83 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 29.58 2yry h GLN 108 CO 0.12 -0.26 0.25 1.05 -1.93 0.00 0.00 178.83 178.07 2yry h GLU 109 N -0.40 0.50 -0.23 1.69 4.11 -1.66 -1.22 114.58 117.37 2yry h GLU 109 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2yry h GLU 109 Cb 0.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2yry h GLU 109 CO 0.03 0.33 0.12 0.00 0.07 0.00 0.00 179.01 179.56 2yry h ALA 110 N 1.20 0.29 -0.65 1.06 0.00 -1.41 -2.47 119.26 117.28 2yry h ALA 110 Ca 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2yry h ALA 110 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2yry h ALA 110 CO -0.08 -0.17 0.36 -1.49 0.00 0.00 0.00 179.25 177.87 2yry h TRP 111 N 0.25 0.65 -0.89 0.00 4.06 -0.21 -1.72 115.95 118.09 2yry h TRP 111 Ca 0.08 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.09 2yry h TRP 111 Cb 0.08 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 27.99 2yry h TRP 111 CO -0.03 0.32 0.58 0.82 -3.56 0.00 0.00 178.44 176.57 2yry h ILE 112 N 0.66 1.14 -0.58 1.49 2.04 -1.01 0.19 117.51 121.45 2yry h ILE 112 Ca 0.29 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.86 2yry h ILE 112 Cb 0.17 -0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 2yry h ILE 112 CO -0.18 0.20 0.19 1.56 0.00 0.00 0.00 178.15 179.92 2yry h GLN 113 N 1.11 0.34 0.01 2.37 4.20 -0.85 1.32 115.11 123.60 2yry h GLN 113 Ca 0.36 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 2yry h GLN 113 Cb 0.03 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2yry h GLN 113 CO -0.11 0.22 -0.00 0.00 -0.67 0.00 0.00 178.83 178.27 2yry h ALA 114 N 1.42 -0.01 0.89 3.87 0.00 -1.34 -3.13 119.26 120.96 2yry h ALA 114 Ca 0.29 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2yry h ALA 114 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2yry h ALA 114 CO -0.32 -0.02 -0.43 0.52 0.00 0.00 0.00 179.25 179.00 2yry h MET 115 N -0.99 -1.15 -0.77 0.00 2.86 -0.56 0.10 114.93 114.42 2yry h MET 115 Ca -0.00 0.08 0.17 0.00 -2.06 0.00 0.00 59.70 57.88 2yry h MET 115 Cb 0.64 0.26 -0.14 0.00 0.06 0.00 0.00 31.60 32.42 2yry h MET 115 CO 0.00 -0.77 -0.12 0.78 1.06 0.00 0.00 176.91 177.87 2yry h GLY 116 N -1.24 0.68 0.86 8.32 0.00 0.16 0.17 103.07 112.02 2yry h GLY 116 Ca -0.12 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2yry h GLY 116 CO 0.20 -0.30 0.02 0.83 0.00 0.00 0.00 176.54 177.29 2yry h GLU 117 N 0.03 0.45 -0.20 4.80 5.08 -1.48 -1.53 114.58 121.73 2yry h GLU 117 Ca 0.39 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 2yry h GLU 117 Cb 0.65 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2yry h GLU 117 CO -0.76 0.59 0.15 0.00 -1.00 0.00 0.00 179.01 177.99 2yry h ALA 118 N 0.84 2.15 0.09 3.43 0.00 0.12 -2.30 119.26 123.59 2yry h ALA 118 Ca 0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2yry h ALA 118 Cb 0.37 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.19 2yry h ALA 118 CO 0.01 -0.25 -0.66 0.00 0.00 0.00 0.00 179.25 178.36 2yry h ALA 119 N 1.89 -0.04 -1.08 0.00 0.00 -0.43 -3.21 119.26 116.40 2yry h ALA 119 Ca 0.09 -0.63 -0.73 0.00 0.00 0.00 0.00 54.91 53.63 2yry h ALA 119 Cb 0.38 0.07 0.07 0.00 0.00 0.00 0.00 17.79 18.32 2yry h ALA 119 CO -0.00 0.32 -0.12 0.54 0.00 0.00 0.00 179.25 179.99 2yry n ARG 120 N -4.21 0.12 0.09 0.00 1.74 -0.61 -4.20 116.66 109.59 2yry n ARG 120 Ca -0.12 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.11 2yry n ARG 120 Cb 0.74 -1.37 0.44 0.00 -1.02 0.00 0.00 32.46 31.25 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 1.00 0.81 0.00 1.55 0.31 -1.26 -4.97 118.33 115.78 2yry n VAL 121 Ca 0.19 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2yry n VAL 121 Cb 0.15 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 2yry n VAL 121 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18