#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 0.29 -0.28 1.61 1.04 -1.26 -5.14 113.70 109.96 2yry s SER 2 Ca 0.00 -0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.23 2yry s SER 2 Cb 0.00 -0.10 0.11 0.00 0.10 0.00 0.00 66.02 66.13 2yry s SER 2 CO 0.00 -0.04 0.83 -0.94 0.98 0.00 0.00 173.24 174.08 2yry s SER 3 N 0.45 -0.72 -0.30 7.02 1.04 -1.26 -5.07 113.70 114.87 2yry s SER 3 Ca -0.04 1.18 0.19 0.00 0.48 0.00 0.00 55.95 57.77 2yry s SER 3 Cb -0.07 1.28 0.47 0.00 0.10 0.00 0.00 66.02 67.80 2yry s SER 3 CO -0.01 -0.19 1.15 0.61 0.98 0.00 0.00 173.24 175.78 2yry n GLY 4 N 3.74 1.72 2.97 7.32 0.00 -1.26 -5.09 105.19 114.58 2yry n GLY 4 Ca -0.18 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 2yry n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yry s SER 5 N -3.06 0.75 -0.25 1.61 0.15 -1.26 -5.13 113.70 106.52 2yry s SER 5 Ca 0.24 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.78 2yry s SER 5 Cb 0.38 -0.11 0.07 0.00 -1.71 0.00 0.00 66.02 64.64 2yry s SER 5 CO -0.04 0.06 -0.03 -0.44 1.20 0.00 0.00 173.24 174.00 2yry s SER 6 N -0.04 3.89 0.80 5.45 0.01 -1.26 -5.08 113.70 117.47 2yry s SER 6 Ca 0.01 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2yry s SER 6 Cb -0.04 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.03 2yry s SER 6 CO -0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2yry n GLY 7 N 4.67 0.49 0.00 3.44 0.00 -1.26 -5.03 105.19 107.50 2yry n GLY 7 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 2.50 3.17 -0.02 0.00 -1.26 -5.10 105.19 104.48 2yry n GLY 8 Ca 0.00 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.14 2.23 -0.32 1.61 1.02 -1.26 -5.06 119.74 116.82 2yry s LYS 9 Ca 0.00 -1.70 -0.05 0.00 0.02 0.00 0.00 55.97 54.23 2yry s LYS 9 Cb 0.00 -3.65 0.03 0.00 -0.52 0.00 0.00 37.83 33.70 2yry s LYS 9 CO 0.00 -1.04 0.07 1.03 -0.92 0.00 0.00 175.35 174.49 2yry s ARG 10 N 1.24 2.69 -0.13 1.68 1.81 -1.26 -5.07 118.95 119.92 2yry s ARG 10 Ca 0.06 -1.12 -0.29 0.00 -1.72 0.00 0.00 55.73 52.66 2yry s ARG 10 Cb -0.23 -3.35 0.07 0.00 -0.45 0.00 0.00 34.95 30.99 2yry s ARG 10 CO -0.02 -0.59 0.71 0.45 -0.68 0.00 0.00 175.30 175.16 2yry s SER 11 N 1.39 -0.68 -0.84 0.23 0.15 -1.26 -5.11 113.70 107.58 2yry s SER 11 Ca -0.01 0.94 -0.04 0.00 0.70 0.00 0.00 55.95 57.54 2yry s SER 11 Cb -0.19 0.83 0.21 0.00 -1.71 0.00 0.00 66.02 65.16 2yry s SER 11 CO 0.01 -0.48 0.73 -1.38 1.20 0.00 0.00 173.24 173.32 2yry s HIS 12 N -0.67 3.80 0.11 3.44 -3.43 -1.26 -5.03 115.29 112.24 2yry s HIS 12 Ca -0.07 -2.85 -0.07 0.00 -0.80 0.00 0.00 55.06 51.26 2yry s HIS 12 Cb -0.02 -3.33 -0.01 0.00 -1.43 0.00 0.00 32.58 27.80 2yry s HIS 12 CO 0.07 -0.80 0.18 -1.12 -2.00 0.00 0.00 174.74 171.07 2yry s SER 13 N 0.35 0.15 0.36 7.38 0.01 -1.26 -5.18 113.70 115.50 2yry s SER 13 Ca 0.24 -0.78 0.05 0.00 1.31 0.00 0.00 55.95 56.77 2yry s SER 13 Cb -0.11 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 2yry s SER 13 CO -0.10 -0.76 0.20 -0.04 0.41 0.00 0.00 173.24 172.96 2yry s MET 14 N -3.91 1.80 0.17 12.44 -1.94 -1.26 -5.18 119.30 121.42 2yry s MET 14 Ca 0.10 -2.07 -0.24 0.00 -1.71 0.00 0.00 55.69 51.77 2yry s MET 14 Cb 0.05 -0.10 0.06 0.00 2.01 0.00 0.00 34.83 36.85 2yry s MET 14 CO -0.07 -0.56 0.90 0.21 -0.01 0.00 0.00 175.02 175.50 2yry s LYS 15 N -3.61 1.29 0.12 2.03 2.20 -1.26 -5.01 119.74 115.49 2yry s LYS 15 Ca 0.33 -0.70 0.10 0.00 -0.36 0.00 0.00 55.97 55.34 2yry s LYS 15 Cb 0.03 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.76 2yry s LYS 15 CO 0.21 -0.59 -0.24 0.50 -0.36 0.00 0.00 175.35 174.87 2yry s ARG 16 N -3.40 1.26 -0.11 4.03 3.52 -1.26 -5.13 118.95 117.86 2yry s ARG 16 Ca 0.11 -1.26 -0.05 0.00 -0.13 0.00 0.00 55.73 54.40 2yry s ARG 16 Cb -0.02 -1.64 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 2yry s ARG 16 CO 0.02 0.38 0.09 -0.80 -0.81 0.00 0.00 175.30 174.19 2yry s ASN 17 N -2.00 5.97 0.13 -2.12 0.01 -1.26 -5.02 114.94 110.65 2yry s ASN 17 Ca 0.10 0.35 -0.12 0.00 -0.71 0.00 0.00 52.86 52.48 2yry s ASN 17 Cb -0.10 -1.86 -0.06 0.00 0.41 0.00 0.00 41.25 39.64 2yry s ASN 17 CO 0.05 0.39 1.45 1.55 -1.51 0.00 0.00 177.10 179.04 2yry h PRO 18 N 5.09 0.85 -0.87 -0.60 0.13 -2.02 -3.18 132.00 131.40 2yry h PRO 18 Ca -0.53 -0.45 0.02 0.00 -0.87 0.00 0.00 66.00 64.16 2yry h PRO 18 Cb 1.21 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2yry h PRO 18 CO 0.57 1.09 0.57 -0.91 -0.23 0.00 0.00 178.00 179.09 2yry h ASN 19 N 0.65 0.98 -1.99 1.44 2.35 -2.07 -3.43 115.58 113.50 2yry h ASN 19 Ca 0.06 -0.02 -0.64 0.00 -0.55 0.00 0.00 56.30 55.14 2yry h ASN 19 Cb 0.93 -0.24 0.08 0.00 0.05 0.00 0.00 38.32 39.14 2yry h ASN 19 CO 0.09 0.70 0.34 0.00 -1.65 0.00 0.00 177.43 176.90 2yry n ALA 20 N -2.34 -0.58 -1.77 -0.83 0.00 -1.20 -4.90 120.51 108.89 2yry n ALA 20 Ca 0.10 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.60 2yry n ALA 20 Cb 0.04 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 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 -0.25 4.42 -0.39 0.00 0.04 -1.26 -4.94 135.00 132.61 2yry s PRO 21 Ca 0.74 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.54 2yry s PRO 21 Cb -0.84 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 30.64 2yry s PRO 21 CO 0.51 -0.07 1.29 0.08 0.04 0.00 0.00 177.00 178.86 2yry s VAL 22 N -1.17 4.08 0.06 -0.36 1.01 -1.26 -4.36 120.40 118.39 2yry s VAL 22 Ca 0.48 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 63.29 2yry s VAL 22 Cb -0.36 -4.31 -0.18 0.00 0.00 0.00 0.00 36.38 31.53 2yry s VAL 22 CO 0.48 -0.73 1.53 0.74 0.00 0.00 0.00 175.10 177.12 2yry h THR 23 N 6.23 0.36 -2.08 3.92 2.02 -0.12 -3.46 112.91 119.78 2yry h THR 23 Ca -0.26 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 2yry h THR 23 Cb 1.09 0.40 -0.21 0.00 -1.74 0.00 0.00 68.15 67.69 2yry h THR 23 CO 1.08 0.01 0.11 -0.75 0.37 0.00 0.00 175.52 176.34 2yry s LYS 24 N -5.76 0.86 0.02 6.66 2.20 -1.16 -4.99 119.74 117.58 2yry s LYS 24 Ca -0.17 0.76 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 2yry s LYS 24 Cb 0.03 0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2yry s LYS 24 CO 0.59 -0.15 -0.10 0.00 -0.36 0.00 0.00 175.35 175.33 2yry s ALA 25 N -0.05 0.77 0.00 3.13 0.00 -1.26 -0.07 121.76 124.28 2yry s ALA 25 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2yry s ALA 25 Cb -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2yry s ALA 25 CO 0.03 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.33 2yry n GLY 26 N 2.25 1.74 3.60 0.00 0.00 -0.63 -5.03 105.19 107.12 2yry n GLY 26 Ca -0.17 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 2.35 0.51 1.61 0.52 -1.26 -1.74 118.94 118.92 2yry s TRP 27 Ca 0.00 0.66 0.05 0.00 0.02 0.00 0.00 56.10 56.83 2yry s TRP 27 Cb 0.00 -4.31 0.01 0.00 -1.15 0.00 0.00 33.47 28.03 2yry s TRP 27 CO 0.00 -2.05 0.31 -0.51 0.02 0.00 0.00 176.95 174.72 2yry s LEU 28 N 5.60 2.74 -0.20 2.99 1.43 -0.47 -4.87 118.68 125.89 2yry s LEU 28 Ca 0.62 -1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2yry s LEU 28 Cb -0.14 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2yry s LEU 28 CO 0.32 -0.96 -0.12 -0.36 0.23 0.00 0.00 176.35 175.47 2yry s PHE 29 N -2.75 2.87 -0.29 0.29 0.40 -0.90 -0.76 117.98 116.84 2yry s PHE 29 Ca 0.31 -1.28 -0.15 0.00 -0.60 0.00 0.00 56.93 55.22 2yry s PHE 29 Cb -0.01 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 2yry s PHE 29 CO 0.19 -0.67 0.36 0.21 0.70 0.00 0.00 175.22 176.00 2yry s LYS 30 N 1.38 3.87 0.30 0.44 2.20 -0.57 -1.64 119.74 125.72 2yry s LYS 30 Ca 0.05 -0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.24 2yry s LYS 30 Cb -0.14 -3.70 -0.12 0.00 -1.51 0.00 0.00 37.83 32.36 2yry s LYS 30 CO -0.08 -0.35 1.43 0.94 -0.36 0.00 0.00 175.35 176.93 2yry n GLN 31 N 5.34 2.30 -1.03 4.03 7.27 -1.18 -1.86 117.38 132.25 2yry n GLN 31 Ca -0.09 0.82 -0.34 0.00 0.07 0.00 0.00 57.00 57.46 2yry n GLN 31 Cb 0.50 -2.49 0.12 0.00 2.41 0.00 0.00 30.24 30.78 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 1.37 -1.04 -1.94 1.69 0.00 0.59 -4.90 120.51 116.27 2yry n ALA 32 Ca 0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 2yry n ALA 32 Cb 0.35 -2.05 0.18 0.00 0.00 0.00 0.00 19.45 17.93 2yry n ALA 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yry s SER 33 N -1.99 3.28 -0.34 0.00 0.15 -1.26 -4.90 113.70 108.64 2yry s SER 33 Ca 0.67 0.15 -0.40 0.00 0.70 0.00 0.00 55.95 57.08 2yry s SER 33 Cb -0.28 -0.24 -0.15 0.00 -1.71 0.00 0.00 66.02 63.64 2yry s SER 33 CO 0.57 -2.61 1.92 -1.20 1.20 0.00 0.00 173.24 173.12 2yry n SER 34 N -3.63 2.04 0.00 5.45 7.64 -1.26 -3.87 113.62 119.99 2yry n SER 34 Ca 0.15 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2yry n SER 34 Cb 0.60 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 5.33 0.40 3.89 0.23 0.00 -1.26 -5.11 105.19 108.67 2yry n GLY 35 Ca 0.35 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 4.84 -0.40 1.61 -7.23 -1.25 -5.06 120.40 112.91 2yry s VAL 36 Ca 0.00 0.46 -0.09 0.00 -1.81 0.00 0.00 61.98 60.54 2yry s VAL 36 Cb 0.00 -3.77 0.07 0.00 0.56 0.00 0.00 36.38 33.24 2yry s VAL 36 CO 0.00 -0.58 0.23 -1.59 -0.31 0.00 0.00 175.10 172.84 2yry s LYS 37 N -4.04 2.61 0.02 4.82 -2.85 -1.26 -4.59 119.74 114.44 2yry s LYS 37 Ca 0.50 -1.39 -0.28 0.00 -1.00 0.00 0.00 55.97 53.80 2yry s LYS 37 Cb -0.10 -3.71 0.10 0.00 -2.06 0.00 0.00 37.83 32.06 2yry s LYS 37 CO 0.35 -0.88 1.24 1.14 0.10 0.00 0.00 175.35 177.29 2yry s GLN 38 N 1.42 0.56 -0.04 1.78 -2.07 -1.26 -5.04 119.66 115.01 2yry s GLN 38 Ca 0.02 -0.33 0.06 0.00 -1.82 0.00 0.00 55.36 53.29 2yry s GLN 38 Cb -0.22 0.17 -0.01 0.00 -1.09 0.00 0.00 33.01 31.86 2yry s GLN 38 CO 0.02 -0.26 -0.21 -1.58 -1.32 0.00 0.00 175.29 171.95 2yry s TRP 39 N -2.33 1.96 -0.28 9.60 0.52 -1.26 -0.30 118.94 126.85 2yry s TRP 39 Ca 0.20 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 55.78 2yry s TRP 39 Cb 0.02 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 31.07 2yry s TRP 39 CO -0.01 -0.12 0.02 -0.80 0.02 0.00 0.00 176.95 176.05 2yry s ASN 40 N -0.23 4.77 -0.25 2.95 0.01 -0.78 -4.91 114.94 116.51 2yry s ASN 40 Ca 0.01 -0.80 -0.29 0.00 -0.71 0.00 0.00 52.86 51.08 2yry s ASN 40 Cb -0.11 -1.78 -0.02 0.00 0.41 0.00 0.00 41.25 39.75 2yry s ASN 40 CO 0.01 -0.17 1.52 -0.75 -1.51 0.00 0.00 177.10 176.20 2yry s LYS 41 N 1.42 3.82 0.26 -0.60 2.20 -1.26 -1.51 119.74 124.06 2yry s LYS 41 Ca 0.01 1.52 0.02 0.00 -0.36 0.00 0.00 55.97 57.16 2yry s LYS 41 Cb -0.17 -3.99 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 2yry s LYS 41 CO -0.01 -1.25 0.07 1.03 -0.36 0.00 0.00 175.35 174.84 2yry s ARG 42 N 4.53 1.41 -0.25 4.03 1.81 0.06 -4.99 118.95 125.55 2yry s ARG 42 Ca 0.67 -1.76 -0.26 0.00 -1.72 0.00 0.00 55.73 52.66 2yry s ARG 42 Cb -0.22 -0.37 0.00 0.00 -0.45 0.00 0.00 34.95 33.91 2yry s ARG 42 CO 0.27 -0.25 0.91 -0.46 -0.68 0.00 0.00 175.30 175.10 2yry s TRP 43 N -3.66 3.30 -0.11 -0.53 -0.11 -1.16 -1.37 118.94 115.29 2yry s TRP 43 Ca 0.36 1.22 -0.04 0.00 1.22 0.00 0.00 56.10 58.86 2yry s TRP 43 Cb 0.08 -3.19 -0.04 0.00 -1.50 0.00 0.00 33.47 28.82 2yry s TRP 43 CO 0.13 -0.47 0.04 -0.06 -4.62 0.00 0.00 176.95 171.96 2yry s PHE 44 N 3.03 3.26 -0.03 5.86 0.40 -0.71 -0.43 117.98 129.37 2yry s PHE 44 Ca 0.38 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.94 2yry s PHE 44 Cb -0.15 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.55 2yry s PHE 44 CO 0.08 0.47 0.04 0.08 0.70 0.00 0.00 175.22 176.60 2yry s VAL 45 N -0.72 -0.07 -0.33 -0.44 1.01 0.17 -1.60 120.40 118.42 2yry s VAL 45 Ca 0.12 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 2yry s VAL 45 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2yry s VAL 45 CO 0.02 0.10 0.17 -0.22 0.00 0.00 0.00 175.10 175.18 2yry s LEU 46 N 1.25 4.31 -0.07 3.92 2.96 0.89 0.65 118.68 132.58 2yry s LEU 46 Ca -0.07 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 2yry s LEU 46 Cb -0.13 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.58 2yry s LEU 46 CO -0.03 -0.25 0.17 -0.69 -1.32 0.00 0.00 176.35 174.23 2yry s VAL 47 N 1.61 -0.04 -0.80 1.68 1.01 -0.06 0.68 120.40 124.48 2yry s VAL 47 Ca 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 2yry s VAL 47 Cb -0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2yry s VAL 47 CO 0.07 0.07 0.68 -0.67 0.00 0.00 0.00 175.10 175.25 2yry n ASP 48 N 4.14 -3.45 -2.21 3.32 2.03 -1.26 -2.58 116.55 116.55 2yry n ASP 48 Ca -0.25 -0.47 -0.06 0.00 0.52 0.00 0.00 54.79 54.53 2yry n ASP 48 Cb 0.52 -3.81 -0.01 0.00 -0.72 0.00 0.00 41.12 37.11 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 -3.00 -2.33 -4.15 -0.67 1.74 -1.26 -4.88 116.66 102.10 2yry n ARG 49 Ca -0.14 0.29 -0.11 0.00 -0.77 0.00 0.00 57.85 57.12 2yry n ARG 49 Cb 0.61 -4.75 -0.10 0.00 -1.02 0.00 0.00 32.46 27.20 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 -2.80 3.91 -0.05 0.00 0.20 -0.96 -0.88 118.68 118.11 2yry s LEU 51 Ca 0.08 0.21 -0.02 0.00 0.69 0.00 0.00 54.13 55.09 2yry s LEU 51 Cb 0.03 -2.13 0.03 0.00 -0.43 0.00 0.00 46.19 43.69 2yry s LEU 51 CO -0.04 0.32 0.06 -0.36 -0.29 0.00 0.00 176.35 176.04 2yry s PHE 52 N -1.09 0.14 -0.26 5.38 0.08 0.21 -2.19 117.98 120.24 2yry s PHE 52 Ca 0.19 0.17 -0.07 0.00 0.12 0.00 0.00 56.93 57.34 2yry s PHE 52 Cb -0.12 -0.53 -0.01 0.00 -0.57 0.00 0.00 43.02 41.79 2yry s PHE 52 CO 0.09 -0.23 0.06 1.52 -0.10 0.00 0.00 175.22 176.57 2yry s TYR 53 N 2.15 3.09 0.58 0.36 -0.85 -1.23 0.42 117.35 121.86 2yry s TYR 53 Ca 0.05 -0.64 0.08 0.00 -0.52 0.00 0.00 57.07 56.03 2yry s TYR 53 Cb -0.12 -2.23 0.07 0.00 0.38 0.00 0.00 41.96 40.06 2yry s TYR 53 CO -0.04 -0.45 0.64 0.71 -1.52 0.00 0.00 175.55 174.90 2yry s TYR 54 N 1.57 1.37 0.11 -3.49 1.51 0.43 -3.61 117.35 115.23 2yry s TYR 54 Ca 0.05 -0.81 0.04 0.00 -1.01 0.00 0.00 57.07 55.34 2yry s TYR 54 Cb -0.16 -2.06 -0.23 0.00 -0.11 0.00 0.00 41.96 39.40 2yry s TYR 54 CO 0.03 -0.93 1.23 1.57 -1.11 0.00 0.00 175.55 176.34 2yry h LYS 55 N 0.38 0.07 -3.33 -0.62 2.10 -1.86 -3.07 116.57 110.24 2yry h LYS 55 Ca -0.32 -0.12 -0.11 0.00 -2.00 0.00 0.00 60.65 58.11 2yry h LYS 55 Cb 1.30 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.66 2yry h LYS 55 CO 0.47 1.05 0.15 0.34 -2.00 0.00 0.00 179.45 179.46 2yry s ASP 56 N -6.81 0.33 0.33 7.07 -1.08 -1.26 -4.58 116.67 110.66 2yry s ASP 56 Ca -0.00 -1.31 0.21 0.00 -0.52 0.00 0.00 52.55 50.93 2yry s ASP 56 Cb 0.09 0.82 1.13 0.00 -1.46 0.00 0.00 42.92 43.50 2yry s ASP 56 CO 0.84 -1.62 1.62 -0.62 0.52 0.00 0.00 175.17 175.91 2yry n GLU 57 N -0.56 0.13 0.20 4.34 1.02 -1.26 -0.64 120.64 123.88 2yry n GLU 57 Ca -0.06 0.63 0.07 0.00 -0.02 0.00 0.00 57.16 57.78 2yry n GLU 57 Cb 0.60 -1.99 0.35 0.00 -0.02 0.00 0.00 31.44 30.39 2yry n GLU 57 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2yry h LYS 58 N 0.00 0.00 -6.74 3.49 1.57 -2.00 -3.47 116.57 109.42 2yry h LYS 58 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 2yry h LYS 58 Cb 0.09 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 2yry h LYS 58 CO 0.00 0.33 -0.64 -0.85 -0.57 0.00 0.00 179.45 177.72 2yry n GLU 59 N -3.45 -0.73 0.32 3.15 -0.00 0.19 -4.83 120.64 115.30 2yry n GLU 59 Ca 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 57.16 56.98 2yry n GLU 59 Cb 0.50 -1.76 -0.06 0.00 -0.00 0.00 0.00 31.44 30.12 2yry n GLU 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2yry h GLU 60 N -0.70 -0.80 -5.13 3.44 4.39 -1.91 -3.44 114.58 110.43 2yry h GLU 60 Ca -0.44 0.05 -0.59 0.00 0.34 0.00 0.00 59.36 58.72 2yry h GLU 60 Cb 0.90 0.18 -0.32 0.00 -0.10 0.00 0.00 28.75 29.41 2yry h GLU 60 CO 0.39 -0.54 -0.85 -1.12 -1.16 0.00 0.00 179.01 175.74 2yry s SER 61 N -3.57 2.37 -0.12 1.42 0.01 -1.26 -5.09 113.70 107.46 2yry s SER 61 Ca -0.12 -0.41 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 2yry s SER 61 Cb 0.01 -0.91 -0.08 0.00 0.21 0.00 0.00 66.02 65.25 2yry s SER 61 CO 0.37 0.12 2.08 -0.38 0.41 0.00 0.00 173.24 175.84 2yry n ILE 62 N 3.44 0.52 0.02 1.44 5.41 -1.26 -4.77 119.36 124.17 2yry n ILE 62 Ca -0.20 -0.27 -0.16 0.00 1.00 0.00 0.00 62.75 63.12 2yry n ILE 62 Cb 0.52 -2.28 -0.06 0.00 -0.71 0.00 0.00 39.64 37.11 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 12.26 0.81 -6.47 1.39 3.38 -1.95 -3.46 115.31 121.28 2yry h LEU 63 Ca -0.44 -0.58 0.18 0.00 0.09 0.00 0.00 57.88 57.13 2yry h LEU 63 Cb 1.25 -0.24 -0.24 0.00 0.09 0.00 0.00 40.66 41.52 2yry h LEU 63 CO 0.96 1.37 0.23 -0.83 0.09 0.00 0.00 178.44 180.25 2yry s GLY 64 N -4.24 -0.19 0.42 0.83 0.00 -1.25 -5.09 107.32 97.80 2yry s GLY 64 Ca -0.09 3.05 -0.02 0.00 0.00 0.00 0.00 44.72 47.67 2yry s GLY 64 CO 0.89 3.26 0.67 -0.45 0.00 0.00 0.00 173.10 177.48 2yry s SER 65 N 2.46 6.17 -0.18 1.64 0.15 -1.26 -3.58 113.70 119.10 2yry s SER 65 Ca -0.02 0.60 -0.05 0.00 0.70 0.00 0.00 55.95 57.19 2yry s SER 65 Cb -0.06 -2.01 0.09 0.00 -1.71 0.00 0.00 66.02 62.33 2yry s SER 65 CO -0.17 -0.50 0.30 -0.63 1.20 0.00 0.00 173.24 173.44 2yry s ILE 66 N -2.54 -0.47 -0.46 6.45 1.01 -0.93 -5.04 121.20 119.23 2yry s ILE 66 Ca 0.45 0.11 -0.28 0.00 0.00 0.00 0.00 60.65 60.93 2yry s ILE 66 Cb -0.10 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 2yry s ILE 66 CO 0.40 -0.00 1.77 -2.16 0.00 0.00 0.00 174.94 174.94 2yry s PRO 67 N 2.46 3.08 0.06 2.79 0.04 -1.26 -2.25 135.00 139.91 2yry s PRO 67 Ca 0.04 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.19 2yry s PRO 67 Cb -0.13 -4.25 -0.22 0.00 0.04 0.00 0.00 34.50 29.93 2yry s PRO 67 CO -0.11 -2.18 1.05 -0.07 0.04 0.00 0.00 177.00 175.73 2yry h LEU 68 N 14.60 0.02 -1.03 -3.56 3.38 -1.88 -3.29 115.31 123.55 2yry h LEU 68 Ca -0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2yry h LEU 68 Cb 1.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2yry h LEU 68 CO 1.12 1.02 0.42 0.25 0.09 0.00 0.00 178.44 181.33 2yry h LEU 69 N 0.00 0.00 -3.31 1.67 5.85 -1.60 0.78 115.31 118.70 2yry h LEU 69 Ca -0.11 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.40 2yry h LEU 69 Cb 1.86 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.74 2yry h LEU 69 CO 0.11 0.00 -0.48 -0.24 -0.34 0.00 0.00 178.44 177.50 2yry n SER 70 N -2.30 2.93 -4.11 1.25 2.88 -1.24 -4.50 113.62 108.53 2yry n SER 70 Ca -0.01 -3.84 -0.10 0.00 -1.33 0.00 0.00 58.87 53.59 2yry n SER 70 Cb 0.44 -0.51 -0.09 0.00 -0.75 0.00 0.00 64.21 63.30 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 -3.36 0.76 -0.39 0.66 0.40 0.27 -4.60 117.98 111.71 2yry s PHE 71 Ca 0.44 -1.14 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 2yry s PHE 71 Cb 0.39 -0.40 0.12 0.00 0.51 0.00 0.00 43.02 43.64 2yry s PHE 71 CO -0.03 -0.55 0.16 0.50 0.70 0.00 0.00 175.22 176.00 2yry s ARG 72 N -4.03 1.29 0.08 0.44 3.52 -0.89 -3.91 118.95 115.45 2yry s ARG 72 Ca 0.22 -1.83 -0.31 0.00 -0.13 0.00 0.00 55.73 53.68 2yry s ARG 72 Cb 0.07 -2.62 -0.07 0.00 -1.56 0.00 0.00 34.95 30.77 2yry s ARG 72 CO 0.01 -1.05 1.38 0.08 -0.81 0.00 0.00 175.30 174.91 2yry s VAL 73 N 0.72 3.49 -0.21 7.11 1.01 -1.26 -3.32 120.40 127.93 2yry s VAL 73 Ca 0.14 1.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 2yry s VAL 73 Cb -0.21 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.57 2yry s VAL 73 CO -0.09 0.05 0.54 0.00 0.00 0.00 0.00 175.10 175.61 2yry s ALA 74 N 1.50 -1.37 0.93 5.51 0.00 -1.15 -4.69 121.76 122.50 2yry s ALA 74 Ca 0.64 1.71 -0.14 0.00 0.00 0.00 0.00 51.96 54.18 2yry s ALA 74 Cb -0.35 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.77 2yry s ALA 74 CO 0.29 -0.28 0.27 0.00 0.00 0.00 0.00 175.76 176.04 2yry n ALA 75 N 3.50 -2.84 -1.34 0.00 0.00 -1.26 -2.47 120.51 116.09 2yry n ALA 75 Ca -0.18 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 2yry n ALA 75 Cb 0.56 -1.73 0.23 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.30 1.70 0.34 0.00 -7.23 -0.47 -4.75 120.40 107.68 2yry s VAL 76 Ca 0.56 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.80 2yry s VAL 76 Cb -0.22 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 2yry s VAL 76 CO 0.68 0.00 0.27 -1.10 -0.31 0.00 0.00 175.10 174.64 2yry s GLN 77 N -5.59 2.66 0.16 4.82 -1.52 -1.26 -5.01 119.66 113.92 2yry s GLN 77 Ca 0.72 -1.34 0.20 0.00 -1.95 0.00 0.00 55.36 52.99 2yry s GLN 77 Cb -0.07 -2.43 0.84 0.00 -0.22 0.00 0.00 33.01 31.13 2yry s GLN 77 CO 0.55 0.09 1.61 -0.35 -0.25 0.00 0.00 175.29 176.95 2yry n PRO 78 N -1.34 0.12 -2.70 2.91 -0.04 -1.26 -3.25 135.00 129.44 2yry n PRO 78 Ca -0.02 0.36 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 2yry n PRO 78 Cb 0.60 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.95 3.28 -4.66 3.54 7.64 -1.26 -5.07 113.62 115.13 2yry n SER 79 Ca 0.03 -3.34 -0.26 0.00 1.01 0.00 0.00 58.87 56.30 2yry n SER 79 Cb 0.20 -0.52 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.28 4.11 -0.13 6.43 1.01 -1.20 -5.02 116.67 118.59 2yry s ASP 80 Ca 0.41 -1.21 -0.05 0.00 0.71 0.00 0.00 52.55 52.42 2yry s ASP 80 Cb 0.39 -0.44 -0.15 0.00 1.01 0.00 0.00 42.92 43.73 2yry s ASP 80 CO -0.10 -0.45 3.25 0.59 0.21 0.00 0.00 175.17 178.67 2yry n ASN 81 N -1.06 5.61 -3.63 0.27 4.13 -1.26 -4.67 115.26 114.66 2yry n ASN 81 Ca -0.03 -2.69 -0.29 0.00 1.68 0.00 0.00 54.58 53.24 2yry n ASN 81 Cb 0.65 -1.34 -0.13 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 -0.03 0.93 0.36 2.41 -1.09 -1.26 -4.98 121.20 117.54 2yry s ILE 82 Ca 0.60 -2.18 0.18 0.00 -2.23 0.00 0.00 60.65 57.02 2yry s ILE 82 Cb 0.31 -1.66 0.36 0.00 -1.58 0.00 0.00 42.46 39.89 2yry s ILE 82 CO -0.06 -0.91 1.67 -1.28 -1.23 0.00 0.00 174.94 173.13 2yry h SER 83 N 6.93 0.47 -3.13 3.58 0.87 -2.01 -3.40 113.55 116.86 2yry h SER 83 Ca 0.00 0.17 -0.42 0.00 -1.23 0.00 0.00 61.79 60.31 2yry h SER 83 Cb 0.95 0.12 0.22 0.00 -0.44 0.00 0.00 62.40 63.24 2yry h SER 83 CO 0.41 -0.12 -0.04 -0.13 -0.53 0.00 0.00 176.83 176.42 2yry s ARG 84 N -5.58 -1.54 -0.01 2.24 0.52 -1.26 -5.03 118.95 108.28 2yry s ARG 84 Ca -0.09 0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 55.78 2yry s ARG 84 Cb 0.30 -1.49 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 2yry s ARG 84 CO 0.80 -4.10 -0.05 1.63 0.02 0.00 0.00 175.30 173.59 2yry n LYS 85 N -5.16 0.08 -2.25 3.54 5.02 -1.26 -4.83 118.16 113.30 2yry n LYS 85 Ca 0.04 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 2yry n LYS 85 Cb 0.55 -0.47 -0.03 0.00 -0.02 0.00 0.00 35.03 35.06 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 -2.95 3.52 -4.20 2.13 8.25 -1.26 -4.80 115.22 115.91 2yry n HIS 86 Ca -0.02 -2.07 -0.17 0.00 -0.26 0.00 0.00 57.72 55.20 2yry n HIS 86 Cb 0.08 -2.61 -0.11 0.00 1.12 0.00 0.00 29.99 28.47 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 7.94 1.16 -0.08 1.59 2.01 -1.26 -2.14 115.64 124.86 2yry s THR 87 Ca 0.62 -1.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 2yry s THR 87 Cb 0.02 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.25 2yry s THR 87 CO 0.11 -0.38 0.19 0.72 -0.69 0.00 0.00 174.62 174.57 2yry s PHE 88 N -1.90 -0.23 -0.04 4.92 -0.71 0.80 -1.36 117.98 119.45 2yry s PHE 88 Ca 0.04 0.60 0.06 0.00 -1.04 0.00 0.00 56.93 56.59 2yry s PHE 88 Cb -0.06 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.72 2yry s PHE 88 CO 0.02 -0.18 -0.22 -1.59 -1.34 0.00 0.00 175.22 171.90 2yry s LYS 89 N 1.07 2.10 -0.28 1.99 0.00 -1.03 0.51 119.74 124.10 2yry s LYS 89 Ca -0.08 -0.80 -0.11 0.00 0.00 0.00 0.00 55.97 54.99 2yry s LYS 89 Cb -0.10 -1.87 -0.05 0.00 0.00 0.00 0.00 37.83 35.81 2yry s LYS 89 CO -0.06 0.39 0.18 0.00 0.00 0.00 0.00 175.35 175.85 2yry s ALA 90 N -0.25 3.49 -0.10 0.59 0.00 0.30 -2.91 121.76 122.88 2yry s ALA 90 Ca 0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2yry s ALA 90 Cb -0.11 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.54 2yry s ALA 90 CO 0.02 -0.54 0.00 -1.83 0.00 0.00 0.00 175.76 173.41 2yry s GLU 91 N 1.74 3.08 -0.51 0.00 1.03 -1.21 0.37 118.70 123.20 2yry s GLU 91 Ca 0.07 -0.41 0.05 0.00 0.03 0.00 0.00 54.97 54.71 2yry s GLU 91 Cb -0.16 -2.83 0.18 0.00 -0.80 0.00 0.00 34.13 30.53 2yry s GLU 91 CO 0.10 0.66 0.43 1.58 -1.33 0.00 0.00 175.26 176.70 2yry n HIS 92 N 2.29 0.64 -1.12 4.83 -0.00 -0.85 -2.11 115.22 118.91 2yry n HIS 92 Ca -0.18 -3.68 -0.21 0.00 0.46 0.00 0.00 57.72 54.10 2yry n HIS 92 Cb 0.53 -0.11 -0.15 0.00 -0.12 0.00 0.00 29.99 30.14 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 2.32 0.64 0.00 1.57 0.00 -1.26 -1.25 120.51 122.52 2yry n ALA 93 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2yry n ALA 93 Cb 0.44 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 4.37 0.75 0.68 0.00 0.00 -1.26 -5.03 105.19 104.71 2yry n GLY 94 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 0.00 -3.73 1.61 0.31 -0.38 -5.18 118.33 110.97 2yry n VAL 95 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2yry n VAL 95 Cb 0.00 -0.46 0.01 0.00 -0.91 0.00 0.00 33.84 32.48 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 -1.74 0.37 -3.94 5.55 1.85 -1.26 -5.04 116.66 112.45 2yry n ARG 96 Ca 0.00 -0.86 -0.30 0.00 -1.00 0.00 0.00 57.85 55.69 2yry n ARG 96 Cb 0.00 1.18 -0.16 0.00 -1.05 0.00 0.00 32.46 32.43 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2yry s THR 97 N -2.25 1.56 0.47 8.89 2.01 -1.26 -2.00 115.64 123.05 2yry s THR 97 Ca 0.14 -1.27 -0.20 0.00 0.31 0.00 0.00 61.69 60.67 2yry s THR 97 Cb -0.02 -1.83 -0.09 0.00 0.01 0.00 0.00 72.50 70.57 2yry s THR 97 CO 0.03 -0.12 0.98 -0.31 -0.69 0.00 0.00 174.62 174.51 2yry s TYR 98 N 1.38 3.27 -0.02 4.92 1.51 0.16 -4.81 117.35 123.75 2yry s TYR 98 Ca -0.05 1.57 0.06 0.00 -1.01 0.00 0.00 57.07 57.64 2yry s TYR 98 Cb -0.19 -2.88 -0.01 0.00 -0.11 0.00 0.00 41.96 38.76 2yry s TYR 98 CO -0.07 -0.35 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.75 2yry s PHE 99 N -2.26 1.96 -0.04 2.71 0.40 -1.26 0.11 117.98 119.60 2yry s PHE 99 Ca 0.62 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2yry s PHE 99 Cb -0.11 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.18 2yry s PHE 99 CO 0.20 -0.07 0.07 -0.06 0.70 0.00 0.00 175.22 176.06 2yry s PHE 100 N -0.40 -0.00 0.05 0.36 0.08 0.18 -3.13 117.98 115.11 2yry s PHE 100 Ca 0.06 0.27 0.04 0.00 0.12 0.00 0.00 56.93 57.42 2yry s PHE 100 Cb -0.09 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 2yry s PHE 100 CO 0.00 -0.16 -0.04 0.45 -0.10 0.00 0.00 175.22 175.37 2yry s SER 101 N 1.64 4.79 0.14 1.36 0.15 -0.65 -0.14 113.70 120.99 2yry s SER 101 Ca -0.02 -0.17 0.10 0.00 0.70 0.00 0.00 55.95 56.55 2yry s SER 101 Cb -0.12 -1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 63.03 2yry s SER 101 CO -0.04 0.23 -0.20 0.00 1.20 0.00 0.00 173.24 174.44 2yry s ALA 102 N -1.14 2.64 0.16 5.45 0.00 -0.91 -2.13 121.76 125.83 2yry s ALA 102 Ca 0.21 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 2yry s ALA 102 Cb -0.11 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.47 2yry s ALA 102 CO 0.12 0.54 1.60 0.93 0.00 0.00 0.00 175.76 178.96 2yry h GLU 103 N 3.58 0.95 -5.71 0.00 5.08 -1.89 -3.44 114.58 113.14 2yry h GLU 103 Ca -0.49 -0.32 -0.48 0.00 -1.00 0.00 0.00 59.36 57.06 2yry h GLU 103 Cb 1.18 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.20 2yry h GLU 103 CO 0.46 0.99 -0.75 -1.12 -1.00 0.00 0.00 179.01 177.59 2yry s SER 104 N -6.49 2.71 0.53 1.42 0.01 -1.26 -5.02 113.70 105.60 2yry s SER 104 Ca -0.12 -0.99 0.31 0.00 1.31 0.00 0.00 55.95 56.47 2yry s SER 104 Cb 0.12 -0.16 1.31 0.00 0.21 0.00 0.00 66.02 67.50 2yry s SER 104 CO 0.84 -0.12 1.97 1.55 0.41 0.00 0.00 173.24 177.89 2yry h PRO 105 N 2.67 0.00 -0.17 12.44 0.13 -1.92 -2.83 132.00 142.32 2yry h PRO 105 Ca -0.39 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.58 2yry h PRO 105 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2yry h PRO 105 CO 0.59 0.06 -0.54 0.93 -0.23 0.00 0.00 178.00 178.81 2yry h GLU 106 N 0.00 0.51 0.12 0.86 5.08 -1.99 -2.71 114.58 116.45 2yry h GLU 106 Ca -0.00 -0.32 -0.29 0.00 -1.00 0.00 0.00 59.36 57.74 2yry h GLU 106 Cb 0.54 0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.85 2yry h GLU 106 CO 0.01 0.93 -1.22 0.93 -1.00 0.00 0.00 179.01 178.66 2yry h GLU 107 N 0.40 0.62 0.73 2.33 4.39 -1.94 -2.90 114.58 118.20 2yry h GLU 107 Ca 0.01 -0.82 -0.03 0.00 0.34 0.00 0.00 59.36 58.86 2yry h GLU 107 Cb 1.08 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 2yry h GLU 107 CO 0.10 1.37 -0.48 0.37 -1.16 0.00 0.00 179.01 179.21 2yry h GLN 108 N 0.25 -1.10 -0.40 2.33 4.15 -1.52 0.27 115.11 119.09 2yry h GLN 108 Ca -0.19 0.08 0.06 0.00 0.77 0.00 0.00 58.65 59.37 2yry h GLN 108 Cb 1.89 0.25 -0.05 0.00 0.21 0.00 0.00 27.48 29.78 2yry h GLN 108 CO 0.23 -0.74 0.08 1.05 -1.93 0.00 0.00 178.83 177.53 2yry h GLU 109 N -1.15 0.20 -0.53 1.69 4.11 -1.62 -1.39 114.58 115.90 2yry h GLU 109 Ca -0.10 -0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.35 2yry h GLU 109 Cb 0.93 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 2yry h GLU 109 CO 0.08 0.14 0.31 0.00 0.07 0.00 0.00 179.01 179.60 2yry h ALA 110 N 1.30 0.69 -0.83 1.06 0.00 -1.36 -1.90 119.26 118.22 2yry h ALA 110 Ca 0.19 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2yry h ALA 110 Cb 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2yry h ALA 110 CO -0.25 0.01 0.53 -1.49 0.00 0.00 0.00 179.25 178.05 2yry h TRP 111 N 0.61 1.00 -0.38 0.00 4.06 0.22 -2.50 115.95 118.97 2yry h TRP 111 Ca 0.22 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.18 2yry h TRP 111 Cb 0.05 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.86 2yry h TRP 111 CO -0.07 0.56 0.19 0.82 -3.56 0.00 0.00 178.44 176.39 2yry h ILE 112 N 1.03 1.16 -0.87 1.49 2.04 -0.71 0.22 117.51 121.87 2yry h ILE 112 Ca 0.34 -0.44 0.22 0.00 1.00 0.00 0.00 64.86 65.97 2yry h ILE 112 Cb 0.03 0.76 -0.13 0.00 -0.74 0.00 0.00 36.82 36.74 2yry h ILE 112 CO -0.12 0.17 0.30 1.56 0.00 0.00 0.00 178.15 180.06 2yry h GLN 113 N 0.48 0.30 0.00 2.37 4.20 -0.90 1.27 115.11 122.83 2yry h GLN 113 Ca 0.13 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2yry h GLN 113 Cb 0.09 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2yry h GLN 113 CO -0.02 0.20 -0.21 0.00 -0.67 0.00 0.00 178.83 178.13 2yry h ALA 114 N 1.72 0.04 0.59 3.87 0.00 -1.39 -3.18 119.26 120.91 2yry h ALA 114 Ca 0.54 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2yry h ALA 114 Cb 1.03 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2yry h ALA 114 CO -0.57 0.13 -0.30 0.52 0.00 0.00 0.00 179.25 179.03 2yry h MET 115 N -1.00 -0.79 -0.81 0.00 2.86 -0.14 0.47 114.93 115.52 2yry h MET 115 Ca -0.05 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.83 2yry h MET 115 Cb 0.74 0.18 -0.15 0.00 0.06 0.00 0.00 31.60 32.43 2yry h MET 115 CO -0.03 -0.52 -0.06 0.78 1.06 0.00 0.00 176.91 178.14 2yry h GLY 116 N -0.82 0.82 1.77 8.32 0.00 0.14 1.80 103.07 115.10 2yry h GLY 116 Ca -0.08 0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 2yry h GLY 116 CO 0.12 -0.33 -0.48 0.83 0.00 0.00 0.00 176.54 176.68 2yry h GLU 117 N 0.06 0.25 0.00 4.80 5.08 -1.51 -0.49 114.58 122.77 2yry h GLU 117 Ca 0.43 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2yry h GLU 117 Cb 0.75 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2yry h GLU 117 CO -0.76 0.69 -0.24 0.00 -1.00 0.00 0.00 179.01 177.70 2yry n ALA 118 N -2.47 2.66 -0.03 3.43 0.00 0.16 -3.60 120.51 120.66 2yry n ALA 118 Ca -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.27 2yry n ALA 118 Cb 0.53 -1.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 2yry n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yry n ALA 119 N -1.67 2.11 -2.55 0.00 0.00 0.57 -3.56 120.51 115.41 2yry n ALA 119 Ca 0.05 -0.83 -0.39 0.00 0.00 0.00 0.00 53.44 52.27 2yry n ALA 119 Cb 0.39 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.99 4.29 -1.29 0.00 1.70 -0.22 -3.53 118.95 116.91 2yry s ARG 120 Ca -0.08 0.65 -0.14 0.00 -0.47 0.00 0.00 55.73 55.69 2yry s ARG 120 Cb 0.10 -3.36 0.12 0.00 -0.57 0.00 0.00 34.95 31.24 2yry s ARG 120 CO 0.86 0.33 1.73 0.28 -1.08 0.00 0.00 175.30 177.42 2yry n VAL 121 N 2.91 4.05 0.00 4.99 0.31 -1.26 -4.89 118.33 124.44 2yry n VAL 121 Ca -0.07 -4.22 0.00 0.00 -0.01 0.00 0.00 64.34 60.04 2yry n VAL 121 Cb 0.51 -2.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 2yry n VAL 121 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51