#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2p s ILE 3 N 0.00 2.43 0.63 0.58 -4.36 -1.26 -5.14 121.20 114.08 1s2p s ILE 3 Ca 0.00 -2.09 -0.18 0.00 -0.26 0.00 0.00 60.65 58.11 1s2p s ILE 3 Cb 0.00 -2.72 -0.02 0.00 1.25 0.00 0.00 42.46 40.97 1s2p s ILE 3 CO 0.00 -0.20 1.26 -2.84 0.24 0.00 0.00 174.94 173.39 1s2p s PRO 4 N -3.66 2.72 0.00 0.37 0.02 -1.26 -4.89 135.00 128.30 1s2p s PRO 4 Ca 0.34 1.96 0.16 0.00 0.02 0.00 0.00 61.00 63.47 1s2p s PRO 4 Cb 0.01 -1.88 0.72 0.00 0.02 0.00 0.00 34.50 33.37 1s2p s PRO 4 CO 0.18 -1.44 1.47 0.27 -0.33 0.00 0.00 177.00 177.15 1s2p n ASN 5 N -1.79 0.00 -1.05 2.53 0.23 -1.26 -1.51 115.26 112.40 1s2p n ASN 5 Ca 0.15 0.30 0.11 0.00 -0.53 0.00 0.00 54.58 54.62 1s2p n ASN 5 Cb 0.49 -0.40 0.25 0.00 -2.08 0.00 0.00 39.78 38.03 1s2p n ASN 5 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1s2p n PHE 6 N -1.40 0.47 -3.73 -2.53 1.16 -1.26 -4.74 117.46 105.43 1s2p n PHE 6 Ca 0.05 -0.24 -0.38 0.00 -1.87 0.00 0.00 57.45 55.02 1s2p n PHE 6 Cb 0.16 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.91 1s2p n PHE 6 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1s2p s VAL 7 N -1.53 3.74 -0.10 1.97 1.01 -0.57 -3.54 120.40 121.39 1s2p s VAL 7 Ca 0.38 -1.38 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1s2p s VAL 7 Cb 0.22 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1s2p s VAL 7 CO 0.30 -0.34 -0.23 -0.69 0.00 0.00 0.00 175.10 174.14 1s2p s VAL 8 N 1.35 2.14 0.37 2.92 1.01 0.56 -4.80 120.40 123.95 1s2p s VAL 8 Ca 0.01 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 1s2p s VAL 8 Cb -0.21 -1.82 -0.11 0.00 0.00 0.00 0.00 36.38 34.24 1s2p s VAL 8 CO 0.01 0.56 1.19 -2.65 0.00 0.00 0.00 175.10 174.21 1s2p n PRO 9 N 3.44 1.82 0.00 2.72 -0.02 -1.26 -0.69 135.00 141.01 1s2p n PRO 9 Ca -0.19 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1s2p n PRO 9 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1s2p n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s2p n GLY 10 N 0.92 -1.67 3.82 -1.23 0.00 -0.18 -4.76 105.19 102.09 1s2p n GLY 10 Ca 0.07 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 1s2p n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s2p s LYS 11 N -0.08 2.92 0.23 1.61 -2.85 -1.26 -2.63 119.74 117.69 1s2p s LYS 11 Ca 0.00 -1.05 -0.31 0.00 -1.00 0.00 0.00 55.97 53.60 1s2p s LYS 11 Cb 0.00 -2.56 -0.13 0.00 -2.06 0.00 0.00 37.83 33.07 1s2p s LYS 11 CO 0.00 0.40 1.46 0.00 0.10 0.00 0.00 175.35 177.32 1s2p s ALA 13 N 0.12 2.41 0.08 0.00 0.00 -1.26 -5.01 121.76 118.10 1s2p s ALA 13 Ca 0.69 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 1s2p s ALA 13 Cb -0.63 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 1s2p s ALA 13 CO 0.47 -1.53 1.03 -1.12 0.00 0.00 0.00 175.76 174.61 1s2p s SER 14 N -3.81 7.36 -0.05 0.00 0.01 -1.26 -4.94 113.70 111.01 1s2p s SER 14 Ca 0.60 1.84 0.07 0.00 1.31 0.00 0.00 55.95 59.76 1s2p s SER 14 Cb -0.15 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.60 1s2p s SER 14 CO 0.55 -0.21 0.99 1.33 0.41 0.00 0.00 173.24 176.31 1s2p n VAL 15 N 3.20 1.10 -3.59 3.43 0.24 -1.26 -4.97 118.33 116.49 1s2p n VAL 15 Ca 0.04 -1.24 -0.24 0.00 -2.04 0.00 0.00 64.34 60.87 1s2p n VAL 15 Cb 0.49 0.30 0.02 0.00 -1.47 0.00 0.00 33.84 33.18 1s2p n VAL 15 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1s2p n ASP 16 N -0.73 -5.70 0.04 -1.34 4.64 -1.26 -4.92 116.55 107.28 1s2p n ASP 16 Ca 0.06 -0.82 -0.00 0.00 -1.38 0.00 0.00 54.79 52.64 1s2p n ASP 16 Cb 0.46 -3.31 0.29 0.00 -1.04 0.00 0.00 41.12 37.52 1s2p n ASP 16 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1s2p h ARG 17 N -1.06 0.43 -0.30 -0.67 3.08 -1.96 -2.96 114.38 110.94 1s2p h ARG 17 Ca -0.53 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 59.44 1s2p h ARG 17 Cb 1.30 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 1s2p h ARG 17 CO 0.42 0.54 0.12 -0.91 -1.07 0.00 0.00 179.97 179.08 1s2p h ASN 18 N 0.40 0.16 -0.05 7.04 2.35 -1.92 0.14 115.58 123.71 1s2p h ASN 18 Ca 0.08 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1s2p h ASN 18 Cb 0.44 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1s2p h ASN 18 CO 0.02 0.13 0.03 0.50 -1.65 0.00 0.00 177.43 176.46 1s2p h LYS 19 N 0.27 0.07 -0.65 0.81 3.64 -1.94 -2.68 116.57 116.09 1s2p h LYS 19 Ca 0.13 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1s2p h LYS 19 Cb 0.07 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1s2p h LYS 19 CO -0.11 0.13 0.28 -0.07 -2.27 0.00 0.00 179.45 177.41 1s2p h LEU 20 N -0.00 0.88 -0.60 5.20 3.38 -1.34 -2.46 115.31 120.36 1s2p h LEU 20 Ca 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1s2p h LEU 20 Cb 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1s2p h LEU 20 CO -0.00 0.79 0.31 -0.25 0.09 0.00 0.00 178.44 179.37 1s2p h TRP 21 N 0.91 0.86 -0.38 1.13 2.91 -0.67 -1.44 115.95 119.26 1s2p h TRP 21 Ca 0.22 -0.03 -0.11 0.00 1.13 0.00 0.00 58.89 60.10 1s2p h TRP 21 Cb 0.17 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 1s2p h TRP 21 CO 0.01 0.64 -0.21 0.00 -1.03 0.00 0.00 178.44 177.85 1s2p h ALA 22 N 1.14 0.92 -0.31 2.65 0.00 -1.34 -1.79 119.26 120.53 1s2p h ALA 22 Ca 0.21 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1s2p h ALA 22 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1s2p h ALA 22 CO -0.03 0.62 -0.08 0.93 0.00 0.00 0.00 179.25 180.69 1s2p h GLU 23 N 0.65 0.50 0.00 0.00 5.08 -1.08 -3.33 114.58 116.40 1s2p h GLU 23 Ca 0.09 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1s2p h GLU 23 Cb 0.70 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1s2p h GLU 23 CO 0.05 0.59 -1.38 1.04 -1.00 0.00 0.00 179.01 178.31 1s2p n GLN 24 N -4.23 0.62 -0.22 2.33 6.02 -0.58 -4.37 117.38 116.95 1s2p n GLN 24 Ca 0.01 0.18 -0.01 0.00 -0.01 0.00 0.00 57.00 57.17 1s2p n GLN 24 Cb 0.29 -1.79 0.21 0.00 1.02 0.00 0.00 30.24 29.97 1s2p n GLN 24 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1s2p h THR 25 N 0.00 1.21 0.00 5.09 1.35 -1.44 -1.87 112.91 117.25 1s2p h THR 25 Ca -0.13 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1s2p h THR 25 Cb 1.46 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1s2p h THR 25 CO 0.03 0.23 0.00 -2.65 -0.25 0.00 0.00 175.52 172.88 1s2p n PRO 26 N -4.38 0.01 -0.45 4.72 -0.02 -1.26 -3.86 135.00 129.76 1s2p n PRO 26 Ca 0.08 0.11 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 1s2p n PRO 26 Cb 0.08 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.29 1s2p n PRO 26 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s2p n ASN 27 N -1.49 3.42 -0.26 2.55 3.02 -0.71 -4.77 115.26 117.02 1s2p n ASN 27 Ca 0.06 -3.16 -0.01 0.00 -0.03 0.00 0.00 54.58 51.44 1s2p n ASN 27 Cb 0.26 -0.54 0.11 0.00 -0.61 0.00 0.00 39.78 39.00 1s2p n ASN 27 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1s2p h ARG 28 N 1.39 0.77 -0.13 3.52 2.47 -1.66 -1.85 114.38 118.89 1s2p h ARG 28 Ca 0.04 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 1s2p h ARG 28 Cb 1.42 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.55 1s2p h ARG 28 CO 0.22 0.51 -0.11 -0.91 0.56 0.00 0.00 179.97 180.24 1s2p h ASN 29 N 0.79 0.19 1.12 7.04 4.21 -1.92 -1.71 115.58 125.31 1s2p h ASN 29 Ca 0.33 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.80 1s2p h ASN 29 Cb 0.18 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1s2p h ASN 29 CO -0.18 0.33 0.00 0.28 -1.29 0.00 0.00 177.43 176.57 1s2p h SER 30 N 0.19 0.00 1.03 5.81 0.02 -1.71 -2.84 113.55 116.05 1s2p h SER 30 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1s2p h SER 30 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1s2p h SER 30 CO 0.02 0.00 -0.47 0.22 -1.14 0.00 0.00 176.83 175.46 1s2p h TYR 31 N 0.00 0.00 -3.52 3.45 3.20 -1.13 -3.46 116.97 115.52 1s2p h TYR 31 Ca 0.00 0.00 -0.42 0.00 3.14 0.00 0.00 58.73 61.45 1s2p h TYR 31 Cb 0.56 0.00 0.19 0.00 1.54 0.00 0.00 36.73 39.02 1s2p h TYR 31 CO 0.00 0.00 0.12 0.00 -1.64 0.00 0.00 178.16 176.64 1s2p s ALA 32 N -3.15 0.51 0.00 1.82 0.00 -1.07 -4.90 121.76 114.97 1s2p s ALA 32 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1s2p s ALA 32 Cb 0.13 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1s2p s ALA 32 CO 0.69 -3.56 0.00 0.41 0.00 0.00 0.00 175.76 173.30 1s2p n GLY 33 N -0.75 -1.48 3.76 0.00 0.00 -0.07 -4.90 105.19 101.75 1s2p n GLY 33 Ca 0.11 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1s2p n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s2p s VAL 34 N 0.00 5.39 -0.02 1.61 1.01 -1.26 -0.51 120.40 126.62 1s2p s VAL 34 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1s2p s VAL 34 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1s2p s VAL 34 CO 0.00 0.47 -0.16 0.26 0.00 0.00 0.00 175.10 175.67 1s2p s TRP 35 N 0.04 1.49 -0.11 5.22 0.52 -0.16 -4.69 118.94 121.24 1s2p s TRP 35 Ca 0.12 -0.33 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 1s2p s TRP 35 Cb -0.12 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.19 1s2p s TRP 35 CO 0.01 -0.07 0.00 0.71 0.02 0.00 0.00 176.95 177.63 1s2p s TYR 36 N -0.21 3.15 -0.37 -1.98 1.51 0.67 -0.61 117.35 119.51 1s2p s TYR 36 Ca 0.03 0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 55.88 1s2p s TYR 36 Cb -0.08 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1s2p s TYR 36 CO 0.00 0.32 1.29 -1.14 -1.11 0.00 0.00 175.55 174.92 1s2p s GLN 37 N -0.44 3.77 -0.01 -0.62 0.74 -0.69 -0.89 119.66 121.51 1s2p s GLN 37 Ca 0.08 1.00 -0.19 0.00 0.05 0.00 0.00 55.36 56.30 1s2p s GLN 37 Cb -0.12 -3.93 -0.34 0.00 1.10 0.00 0.00 33.01 29.73 1s2p s GLN 37 CO 0.02 -1.31 0.94 0.35 -0.55 0.00 0.00 175.29 174.73 1s2p h PHE 38 N 9.70 0.77 -2.83 1.67 3.57 -1.00 -3.41 116.94 125.40 1s2p h PHE 38 Ca -0.26 -0.56 0.00 0.00 3.53 0.00 0.00 57.97 60.68 1s2p h PHE 38 Cb 1.09 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 39.67 1s2p h PHE 38 CO 0.93 1.45 0.26 0.00 -2.23 0.00 0.00 178.31 178.72 1s2p s ALA 39 N -2.52 -1.65 0.09 2.41 0.00 -1.10 -1.42 121.76 117.57 1s2p s ALA 39 Ca -0.11 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 1s2p s ALA 39 Cb 0.03 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1s2p s ALA 39 CO 0.89 -0.74 0.39 -0.48 0.00 0.00 0.00 175.76 175.82 1s2p s LEU 40 N -2.64 0.49 0.50 0.00 2.34 -0.60 -0.88 118.68 117.89 1s2p s LEU 40 Ca 0.01 -0.20 -0.14 0.00 0.06 0.00 0.00 54.13 53.86 1s2p s LEU 40 Cb -0.01 1.73 -0.07 0.00 -0.56 0.00 0.00 46.19 47.28 1s2p s LEU 40 CO -0.11 -0.76 0.93 0.42 -1.06 0.00 0.00 176.35 175.77 1s2p s THR 41 N -3.21 4.64 -0.47 5.48 -4.23 -0.61 -1.61 115.64 115.63 1s2p s THR 41 Ca -0.01 0.97 -0.43 0.00 -1.18 0.00 0.00 61.69 61.05 1s2p s THR 41 Cb 0.01 -3.75 -0.18 0.00 1.34 0.00 0.00 72.50 69.92 1s2p s THR 41 CO -0.08 -0.71 1.68 -3.20 -0.54 0.00 0.00 174.62 171.77 1s2p n ASN 42 N -1.69 0.97 -3.78 3.99 5.15 -1.26 -4.71 115.26 113.93 1s2p n ASN 42 Ca 0.05 0.93 -0.28 0.00 -0.60 0.00 0.00 54.58 54.68 1s2p n ASN 42 Cb 0.54 -0.83 -0.16 0.00 -0.53 0.00 0.00 39.78 38.80 1s2p n ASN 42 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1s2p s ASN 43 N 3.86 3.13 0.00 1.20 3.84 -1.26 -4.84 114.94 120.87 1s2p s ASN 43 Ca 1.03 -0.90 0.26 0.00 0.21 0.00 0.00 52.86 53.46 1s2p s ASN 43 Cb -1.40 -0.73 1.52 0.00 -0.55 0.00 0.00 41.25 40.09 1s2p s ASN 43 CO 0.71 -0.29 1.98 -0.81 -2.79 0.00 0.00 177.10 175.90 1s2p n PRO 44 N 4.96 1.00 -0.09 0.43 -0.04 -1.26 -3.86 135.00 136.13 1s2p n PRO 44 Ca -0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 1s2p n PRO 44 Cb 0.46 -1.40 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 1s2p n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s2p n TYR 45 N -0.90 0.00 -1.78 0.54 4.02 -1.26 -4.95 117.16 112.82 1s2p n TYR 45 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.66 1s2p n TYR 45 Cb 0.09 -0.82 -0.03 0.00 -0.02 0.00 0.00 39.34 38.56 1s2p n TYR 45 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1s2p s GLN 46 N -2.41 3.73 0.23 -0.72 2.00 -1.25 -4.88 119.66 116.36 1s2p s GLN 46 Ca -0.17 2.16 0.24 0.00 -2.00 0.00 0.00 55.36 55.59 1s2p s GLN 46 Cb 0.06 -4.19 0.36 0.00 0.80 0.00 0.00 33.01 30.04 1s2p s GLN 46 CO 0.59 -1.41 1.41 -0.07 -0.50 0.00 0.00 175.29 175.32 1s2p h LEU 47 N 12.30 0.00 -8.73 3.68 3.38 -1.93 -3.44 115.31 120.58 1s2p h LEU 47 Ca -0.42 -0.07 -0.66 0.00 0.09 0.00 0.00 57.88 56.81 1s2p h LEU 47 Cb 1.21 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.80 1s2p h LEU 47 CO 0.96 0.04 -0.22 -0.63 0.09 0.00 0.00 178.44 178.68 1s2p s ILE 48 N -3.21 5.12 -0.13 1.22 1.01 -1.26 -3.70 121.20 120.25 1s2p s ILE 48 Ca 0.06 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.57 1s2p s ILE 48 Cb 0.10 -3.88 -0.26 0.00 0.01 0.00 0.00 42.46 38.44 1s2p s ILE 48 CO 0.70 -0.16 0.59 -0.08 0.00 0.00 0.00 174.94 175.99 1s2p h GLU 49 N 8.49 0.12 -6.13 2.79 4.81 -1.21 -3.47 114.58 119.99 1s2p h GLU 49 Ca -0.29 -0.21 -0.56 0.00 -0.13 0.00 0.00 59.36 58.18 1s2p h GLU 49 Cb 1.14 0.08 -0.19 0.00 0.63 0.00 0.00 28.75 30.40 1s2p h GLU 49 CO 0.72 1.10 -0.80 0.15 -0.73 0.00 0.00 179.01 179.45 1s2p s LYS 50 N -2.36 1.30 -1.35 1.92 1.02 -0.73 -4.58 119.74 114.95 1s2p s LYS 50 Ca -0.21 -1.39 -0.01 0.00 0.02 0.00 0.00 55.97 54.38 1s2p s LYS 50 Cb 0.02 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.88 1s2p s LYS 50 CO 0.71 0.31 0.19 0.00 -0.92 0.00 0.00 175.35 175.64 1s2p s VAL 52 N -2.91 3.45 -0.14 0.00 1.01 -1.26 -4.31 120.40 116.23 1s2p s VAL 52 Ca 0.09 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1s2p s VAL 52 Cb -0.04 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.98 1s2p s VAL 52 CO 0.12 -0.11 -0.05 -0.60 0.00 0.00 0.00 175.10 174.46 1s2p s ARG 53 N 4.54 1.33 -0.28 2.72 3.52 -0.25 -1.70 118.95 128.83 1s2p s ARG 53 Ca 0.79 -0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 55.97 1s2p s ARG 53 Cb -0.33 -1.80 0.02 0.00 -1.56 0.00 0.00 34.95 31.29 1s2p s ARG 53 CO 0.32 -0.39 0.01 -0.80 -0.81 0.00 0.00 175.30 173.63 1s2p s ASN 54 N 1.70 4.73 -0.31 -2.12 0.01 0.22 -1.00 114.94 118.16 1s2p s ASN 54 Ca 0.02 -0.88 -0.11 0.00 -0.71 0.00 0.00 52.86 51.19 1s2p s ASN 54 Cb -0.14 -1.76 -0.02 0.00 0.41 0.00 0.00 41.25 39.74 1s2p s ASN 54 CO -0.08 -0.18 0.18 -0.70 -1.51 0.00 0.00 177.10 174.82 1s2p s GLU 55 N 1.38 3.49 -0.14 -0.60 2.12 0.08 -0.99 118.70 124.05 1s2p s GLU 55 Ca 0.00 -0.63 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 1s2p s GLU 55 Cb -0.17 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 1s2p s GLU 55 CO -0.01 -0.38 0.03 0.71 -0.54 0.00 0.00 175.26 175.06 1s2p s TYR 56 N 1.67 3.21 -0.04 5.30 1.51 0.33 -0.93 117.35 128.40 1s2p s TYR 56 Ca 0.06 0.09 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 1s2p s TYR 56 Cb -0.17 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1s2p s TYR 56 CO 0.08 0.29 -0.24 -1.12 -1.11 0.00 0.00 175.55 173.45 1s2p s SER 57 N -0.21 2.86 -0.17 2.29 0.01 -0.06 -0.89 113.70 117.52 1s2p s SER 57 Ca 0.06 -0.46 -0.04 0.00 1.31 0.00 0.00 55.95 56.82 1s2p s SER 57 Cb -0.12 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.45 1s2p s SER 57 CO 0.02 0.25 -0.03 0.12 0.41 0.00 0.00 173.24 174.01 1s2p s PHE 58 N -0.27 3.02 -1.40 2.43 5.36 -1.26 -0.78 117.98 125.09 1s2p s PHE 58 Ca 0.01 -0.37 0.14 0.00 -0.96 0.00 0.00 56.93 55.75 1s2p s PHE 58 Cb -0.12 -2.00 0.32 0.00 -0.34 0.00 0.00 43.02 40.88 1s2p s PHE 58 CO 0.02 -0.11 1.23 -0.40 -1.46 0.00 0.00 175.22 174.49 1s2p n ASP 59 N 3.77 2.93 0.00 6.13 3.85 -0.82 -4.96 116.55 127.44 1s2p n ASP 59 Ca -0.17 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.02 1s2p n ASP 59 Cb 0.52 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 1s2p n ASP 59 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s2p n GLY 60 N 0.83 2.59 0.00 6.12 0.00 -1.26 -4.81 105.19 108.66 1s2p n GLY 60 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1s2p n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s2p n LYS 61 N -0.61 2.30 -3.86 1.61 2.85 -1.26 -5.11 118.16 114.08 1s2p n LYS 61 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 1s2p n LYS 61 Cb 0.00 -0.77 -0.03 0.00 -0.65 0.00 0.00 35.03 33.58 1s2p n LYS 61 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1s2p s GLN 62 N -1.28 1.67 -0.11 -1.58 -2.07 -1.26 -4.60 119.66 110.44 1s2p s GLN 62 Ca 0.00 -1.02 -0.05 0.00 -1.82 0.00 0.00 55.36 52.47 1s2p s GLN 62 Cb 0.00 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 1s2p s GLN 62 CO 0.00 -0.75 0.07 -0.06 -1.32 0.00 0.00 175.29 173.23 1s2p s PHE 63 N -3.93 3.36 -0.18 9.60 0.08 -0.25 -1.95 117.98 124.71 1s2p s PHE 63 Ca 0.13 0.33 -0.09 0.00 0.12 0.00 0.00 56.93 57.42 1s2p s PHE 63 Cb -0.04 -1.89 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1s2p s PHE 63 CO 0.06 0.55 0.11 0.08 -0.10 0.00 0.00 175.22 175.91 1s2p s VAL 64 N -0.80 5.21 -0.04 -0.44 1.01 0.04 -1.14 120.40 124.25 1s2p s VAL 64 Ca 0.13 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1s2p s VAL 64 Cb -0.12 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1s2p s VAL 64 CO 0.03 0.47 -0.24 -0.63 0.00 0.00 0.00 175.10 174.72 1s2p s ILE 65 N 0.20 2.16 -0.25 2.22 1.01 -0.04 -0.88 121.20 125.62 1s2p s ILE 65 Ca 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1s2p s ILE 65 Cb -0.11 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.63 1s2p s ILE 65 CO -0.01 0.58 -0.08 -0.54 0.00 0.00 0.00 174.94 174.89 1s2p s LYS 66 N -0.47 2.60 -0.16 2.79 1.02 -0.11 -1.48 119.74 123.93 1s2p s LYS 66 Ca 0.06 -1.12 -0.06 0.00 0.02 0.00 0.00 55.97 54.87 1s2p s LYS 66 Cb -0.11 -2.94 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1s2p s LYS 66 CO 0.01 -0.47 0.03 -1.12 -0.92 0.00 0.00 175.35 172.88 1s2p s SER 67 N 1.24 5.37 0.08 2.83 0.01 -0.19 -0.74 113.70 122.30 1s2p s SER 67 Ca -0.03 0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 1s2p s SER 67 Cb -0.18 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 1s2p s SER 67 CO -0.05 0.20 0.03 0.42 0.41 0.00 0.00 173.24 174.24 1s2p s THR 68 N 0.22 0.18 -5.00 1.44 -4.23 -0.17 0.07 115.64 108.15 1s2p s THR 68 Ca 0.02 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1s2p s THR 68 Cb -0.13 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1s2p s THR 68 CO 0.01 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 1s2p n GLY 69 N 0.03 -0.46 3.55 3.99 0.00 -0.98 -1.09 105.19 110.23 1s2p n GLY 69 Ca -0.12 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1s2p n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s2p s ILE 70 N -3.47 4.62 0.97 -0.61 1.01 0.24 -1.30 121.20 122.65 1s2p s ILE 70 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 1s2p s ILE 70 Cb 0.00 -3.12 0.17 0.00 0.01 0.00 0.00 42.46 39.52 1s2p s ILE 70 CO 0.00 0.39 1.14 0.00 0.00 0.00 0.00 174.94 176.47 1s2p s ALA 71 N 0.99 1.49 0.23 9.38 0.00 0.23 -0.76 121.76 133.32 1s2p s ALA 71 Ca 0.04 -0.60 0.36 0.00 0.00 0.00 0.00 51.96 51.76 1s2p s ALA 71 Cb -0.14 -3.01 1.72 0.00 0.00 0.00 0.00 23.12 21.68 1s2p s ALA 71 CO 0.03 -2.58 2.08 1.88 0.00 0.00 0.00 175.76 177.17 1s2p h TYR 72 N -1.73 0.00 -0.05 0.00 -1.99 -1.88 -1.42 116.97 109.91 1s2p h TYR 72 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 1s2p h TYR 72 Cb 1.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.05 1s2p h TYR 72 CO -0.10 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 177.66 1s2p n ASP 73 N -2.93 1.54 0.00 3.88 5.75 -1.26 -4.93 116.55 118.59 1s2p n ASP 73 Ca -0.01 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 1s2p n ASP 73 Cb 0.19 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1s2p n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s2p n GLY 74 N 1.16 0.83 3.88 6.12 0.00 -0.53 -5.06 105.19 111.60 1s2p n GLY 74 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1s2p n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s2p s ASN 75 N -2.85 6.57 0.51 1.61 0.01 -1.26 -4.78 114.94 114.75 1s2p s ASN 75 Ca 0.00 0.84 -0.23 0.00 -0.71 0.00 0.00 52.86 52.77 1s2p s ASN 75 Cb 0.00 -2.20 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 1s2p s ASN 75 CO 0.00 -0.09 1.32 -0.76 -1.51 0.00 0.00 177.10 176.05 1s2p s LEU 76 N -2.98 3.93 -0.09 0.60 1.43 -1.26 -0.60 118.68 119.72 1s2p s LEU 76 Ca 0.46 2.66 -0.07 0.00 -1.03 0.00 0.00 54.13 56.15 1s2p s LEU 76 Cb -0.11 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.92 1s2p s LEU 76 CO 0.24 -1.34 0.24 -0.22 0.23 0.00 0.00 176.35 175.49 1s2p s LEU 77 N -3.27 0.93 -0.06 1.79 2.96 -0.42 -4.80 118.68 115.81 1s2p s LEU 77 Ca 0.68 0.49 0.05 0.00 -0.22 0.00 0.00 54.13 55.13 1s2p s LEU 77 Cb -0.38 0.79 -0.01 0.00 0.50 0.00 0.00 46.19 47.10 1s2p s LEU 77 CO 0.45 -0.10 -0.23 -0.75 -1.32 0.00 0.00 176.35 174.40 1s2p s LYS 78 N 0.40 2.45 -0.07 1.98 2.20 -1.26 -2.32 119.74 123.12 1s2p s LYS 78 Ca -0.02 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 54.81 1s2p s LYS 78 Cb -0.04 -2.04 -0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1s2p s LYS 78 CO -0.02 0.31 -0.21 1.03 -0.36 0.00 0.00 175.35 176.09 1s2p s ARG 79 N -0.01 2.41 -0.16 4.03 0.52 0.11 -4.98 118.95 120.87 1s2p s ARG 79 Ca -0.07 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.18 1s2p s ARG 79 Cb -0.14 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.32 1s2p s ARG 79 CO 0.04 0.26 0.54 -0.80 0.02 0.00 0.00 175.30 175.36 1s2p s ASN 80 N 0.11 6.66 0.32 0.23 0.01 -1.26 -1.02 114.94 119.98 1s2p s ASN 80 Ca -0.09 0.79 0.03 0.00 -0.71 0.00 0.00 52.86 52.88 1s2p s ASN 80 Cb -0.15 -2.31 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 1s2p s ASN 80 CO 0.05 -0.13 0.07 -0.83 -1.51 0.00 0.00 177.10 174.75 1s2p s GLY 81 N 0.96 2.04 -0.00 0.66 0.00 -0.55 -1.49 107.32 108.94 1s2p s GLY 81 Ca 0.26 -1.97 -0.06 0.00 0.00 0.00 0.00 44.72 42.96 1s2p s GLY 81 CO 0.11 -1.77 0.12 0.54 0.00 0.00 0.00 173.10 172.09 1s2p s LYS 82 N -3.91 0.42 -0.13 2.90 1.02 -0.01 -0.86 119.74 119.17 1s2p s LYS 82 Ca 0.36 -0.34 -0.01 0.00 0.02 0.00 0.00 55.97 56.00 1s2p s LYS 82 Cb 0.08 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1s2p s LYS 82 CO 0.15 -0.09 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.28 1s2p s LEU 83 N -1.19 1.17 0.08 3.17 2.96 -0.29 -0.84 118.68 123.73 1s2p s LEU 83 Ca -0.13 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 1s2p s LEU 83 Cb -0.07 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1s2p s LEU 83 CO 0.01 -0.17 0.13 -0.72 -1.32 0.00 0.00 176.35 174.28 1s2p s TYR 84 N 1.76 0.26 0.37 5.38 -0.85 -0.79 -1.09 117.35 122.39 1s2p s TYR 84 Ca 0.03 -0.72 -0.28 0.00 -0.52 0.00 0.00 57.07 55.59 1s2p s TYR 84 Cb -0.14 -0.15 -0.11 0.00 0.38 0.00 0.00 41.96 41.94 1s2p s TYR 84 CO -0.07 -0.50 1.44 -2.30 -1.52 0.00 0.00 175.55 172.59 1s2p n PRO 85 N -0.02 2.55 -1.65 -3.49 -0.02 -1.26 0.13 135.00 131.24 1s2p n PRO 85 Ca -0.15 0.89 -0.49 0.00 -2.02 0.00 0.00 63.50 61.73 1s2p n PRO 85 Cb 0.62 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 1s2p n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s2p n ASN 86 N 0.52 2.57 0.32 2.55 2.85 -0.48 -4.62 115.26 118.98 1s2p n ASN 86 Ca 0.02 1.08 0.20 0.00 -0.11 0.00 0.00 54.58 55.77 1s2p n ASN 86 Cb 0.38 -1.31 1.09 0.00 1.24 0.00 0.00 39.78 41.17 1s2p n ASN 86 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s2p h PRO 87 N 5.95 0.00 -0.10 1.20 0.11 -1.91 -1.43 132.00 135.83 1s2p h PRO 87 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s2p h PRO 87 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1s2p h PRO 87 CO 0.86 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.84 1s2p n PHE 88 N -2.95 0.11 -0.80 0.65 3.01 -1.26 -4.93 117.46 111.29 1s2p n PHE 88 Ca -0.03 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1s2p n PHE 88 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1s2p n PHE 88 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s2p n GLY 89 N 1.18 0.59 3.76 1.37 0.00 -0.54 -5.05 105.19 106.51 1s2p n GLY 89 Ca 0.18 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1s2p n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s2p s GLU 90 N -0.37 3.36 -0.90 1.61 2.02 -1.26 -4.89 118.70 118.27 1s2p s GLU 90 Ca 0.00 1.82 -0.08 0.00 0.02 0.00 0.00 54.97 56.73 1s2p s GLU 90 Cb 0.00 -2.16 -0.14 0.00 0.10 0.00 0.00 34.13 31.92 1s2p s GLU 90 CO 0.00 -0.89 2.98 -0.35 0.02 0.00 0.00 175.26 177.02 1s2p n PRO 91 N -1.05 2.75 -3.90 0.39 -0.04 -1.26 -4.34 135.00 127.55 1s2p n PRO 91 Ca 0.10 -1.60 -0.08 0.00 -0.04 0.00 0.00 63.50 61.89 1s2p n PRO 91 Cb 0.49 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.49 1s2p n PRO 91 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1s2p s HIS 92 N 1.97 -0.03 0.17 0.54 -3.43 -1.26 -4.65 115.29 108.61 1s2p s HIS 92 Ca 0.62 -0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.48 1s2p s HIS 92 Cb 0.21 0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 31.87 1s2p s HIS 92 CO -0.03 -1.16 0.34 -0.51 -2.00 0.00 0.00 174.74 171.38 1s2p s LEU 93 N -2.95 4.27 -0.22 5.38 1.43 -1.14 -1.38 118.68 124.08 1s2p s LEU 93 Ca 0.14 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1s2p s LEU 93 Cb -0.04 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1s2p s LEU 93 CO 0.07 0.01 0.13 -0.44 0.23 0.00 0.00 176.35 176.35 1s2p s SER 94 N -3.10 5.99 -0.21 2.29 0.01 0.12 -0.70 113.70 118.10 1s2p s SER 94 Ca 0.37 0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.61 1s2p s SER 94 Cb -0.11 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1s2p s SER 94 CO 0.29 0.11 0.34 -0.51 0.41 0.00 0.00 173.24 173.88 1s2p s ILE 95 N 0.76 5.24 -0.03 1.44 1.10 0.33 -1.88 121.20 128.15 1s2p s ILE 95 Ca 0.07 0.57 0.03 0.00 -0.51 0.00 0.00 60.65 60.81 1s2p s ILE 95 Cb -0.13 -3.67 0.00 0.00 0.15 0.00 0.00 42.46 38.81 1s2p s ILE 95 CO 0.02 0.28 -0.13 -0.62 -2.11 0.00 0.00 174.94 172.38 1s2p s ASP 96 N 1.03 1.64 0.05 4.50 3.68 -0.02 -1.22 116.67 126.34 1s2p s ASP 96 Ca 0.16 -0.26 0.07 0.00 2.13 0.00 0.00 52.55 54.64 1s2p s ASP 96 Cb -0.14 -0.46 -0.02 0.00 -1.45 0.00 0.00 42.92 40.84 1s2p s ASP 96 CO 0.07 0.10 -0.19 -0.31 0.13 0.00 0.00 175.17 174.98 1s2p s TYR 97 N 0.15 1.62 0.32 -5.34 1.51 -1.20 -0.83 117.35 113.58 1s2p s TYR 97 Ca -0.04 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 1s2p s TYR 97 Cb -0.10 -0.96 -0.12 0.00 -0.11 0.00 0.00 41.96 40.67 1s2p s TYR 97 CO 0.01 0.08 1.36 0.39 -1.11 0.00 0.00 175.55 176.28 1s2p n GLU 98 N 1.81 2.22 -1.31 -0.62 1.02 -0.55 -1.68 120.64 121.53 1s2p n GLU 98 Ca -0.18 0.78 -0.11 0.00 -0.02 0.00 0.00 57.16 57.64 1s2p n GLU 98 Cb 0.54 -2.41 -0.05 0.00 -0.02 0.00 0.00 31.44 29.50 1s2p n GLU 98 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s2p n ASN 99 N 1.11 -4.72 -0.32 1.62 3.02 -1.26 -4.87 115.26 109.84 1s2p n ASN 99 Ca 0.06 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1s2p n ASN 99 Cb 0.36 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 1s2p n ASN 99 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1s2p n SER 100 N -0.31 0.00 -4.34 6.41 2.88 -0.67 -5.18 113.62 112.41 1s2p n SER 100 Ca -0.11 -0.32 -0.22 0.00 -1.33 0.00 0.00 58.87 56.90 1s2p n SER 100 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1s2p n SER 100 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1s2p n PHE 101 N 0.00 -0.72 -4.90 0.66 1.16 -1.26 -4.72 117.46 107.68 1s2p n PHE 101 Ca 0.00 -1.92 -0.28 0.00 -1.87 0.00 0.00 57.45 53.37 1s2p n PHE 101 Cb 0.00 -0.37 -0.15 0.00 -1.61 0.00 0.00 39.48 37.35 1s2p n PHE 101 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1s2p s ALA 102 N -2.65 1.99 0.10 1.98 0.00 -1.26 -3.25 121.76 118.67 1s2p s ALA 102 Ca 0.25 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1s2p s ALA 102 Cb -0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1s2p s ALA 102 CO 0.16 0.47 -0.08 0.00 0.00 0.00 0.00 175.76 176.31 1s2p s ALA 103 N -0.72 1.04 0.40 0.00 0.00 -0.36 -4.94 121.76 117.20 1s2p s ALA 103 Ca 0.09 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.54 1s2p s ALA 103 Cb -0.09 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.03 1s2p s ALA 103 CO 0.01 -0.13 1.26 -1.25 0.00 0.00 0.00 175.76 175.65 1s2p s PRO 104 N -3.25 3.98 -0.05 0.00 0.04 -1.26 -0.52 135.00 133.94 1s2p s PRO 104 Ca 0.08 2.06 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 1s2p s PRO 104 Cb 0.01 -2.73 0.03 0.00 0.04 0.00 0.00 34.50 31.85 1s2p s PRO 104 CO -0.02 -0.45 0.05 -1.17 0.04 0.00 0.00 177.00 175.45 1s2p s LEU 105 N -2.46 0.26 -0.10 -3.56 2.96 0.12 -4.39 118.68 111.52 1s2p s LEU 105 Ca 0.57 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1s2p s LEU 105 Cb -0.36 -0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.08 1s2p s LEU 105 CO 0.46 -0.24 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.55 1s2p s VAL 106 N 2.12 4.24 -0.59 1.68 1.01 0.49 -2.87 120.40 126.47 1s2p s VAL 106 Ca 0.05 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 1s2p s VAL 106 Cb -0.12 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.56 1s2p s VAL 106 CO -0.04 0.58 0.73 -0.63 0.00 0.00 0.00 175.10 175.75 1s2p s ILE 107 N -0.66 4.76 0.23 2.22 1.01 -1.26 -0.89 121.20 126.60 1s2p s ILE 107 Ca 0.11 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1s2p s ILE 107 Cb -0.12 -4.50 0.07 0.00 0.01 0.00 0.00 42.46 37.92 1s2p s ILE 107 CO 0.02 -1.14 1.68 0.25 0.00 0.00 0.00 174.94 175.75 1s2p h LEU 108 N 10.14 0.79 -7.00 2.97 5.85 -1.22 -3.45 115.31 123.39 1s2p h LEU 108 Ca -0.29 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.19 1s2p h LEU 108 Cb 1.09 -0.21 -0.22 0.00 0.37 0.00 0.00 40.66 41.68 1s2p h LEU 108 CO 1.10 0.93 0.31 -0.70 -0.34 0.00 0.00 178.44 179.74 1s2p s GLU 109 N -4.78 0.75 -0.10 1.25 2.12 -1.20 -5.01 118.70 111.74 1s2p s GLU 109 Ca -0.09 0.57 -0.28 0.00 0.36 0.00 0.00 54.97 55.52 1s2p s GLU 109 Cb 0.14 0.36 0.07 0.00 0.26 0.00 0.00 34.13 34.95 1s2p s GLU 109 CO 0.83 -0.15 0.66 -0.08 -0.54 0.00 0.00 175.26 175.98 1s2p s THR 110 N -0.27 0.00 -1.50 -1.70 -1.32 -1.26 -0.65 115.64 108.94 1s2p s THR 110 Ca -0.02 -0.03 0.15 0.00 -1.21 0.00 0.00 61.69 60.59 1s2p s THR 110 Cb -0.03 -0.97 0.33 0.00 -1.51 0.00 0.00 72.50 70.31 1s2p s THR 110 CO 0.01 -0.01 1.23 -0.90 -2.21 0.00 0.00 174.62 172.74 1s2p n ASP 111 N 1.38 2.96 0.00 8.08 5.75 -1.08 -5.01 116.55 128.63 1s2p n ASP 111 Ca -0.18 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1s2p n ASP 111 Cb 0.56 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1s2p n ASP 111 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1s2p n TYR 112 N 0.90 0.00 0.71 2.11 4.02 -1.25 -4.53 117.16 119.11 1s2p n TYR 112 Ca 0.14 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.12 1s2p n TYR 112 Cb 0.46 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.66 1s2p n TYR 112 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1s2p n SER 113 N 0.73 0.82 0.00 7.72 3.41 -1.26 -4.77 113.62 120.26 1s2p n SER 113 Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1s2p n SER 113 Cb 0.00 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1s2p n SER 113 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1s2p n ASN 114 N -1.61 0.14 -3.91 4.04 4.13 -1.26 -4.69 115.26 112.10 1s2p n ASN 114 Ca 0.02 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.20 1s2p n ASN 114 Cb 0.34 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.50 1s2p n ASN 114 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1s2p s TYR 115 N -1.98 0.22 -0.06 3.10 -0.85 -1.26 -1.13 117.35 115.39 1s2p s TYR 115 Ca 0.00 -0.65 -0.06 0.00 -0.52 0.00 0.00 57.07 55.84 1s2p s TYR 115 Cb 0.00 -0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.22 1s2p s TYR 115 CO 0.00 -0.48 0.17 0.00 -1.52 0.00 0.00 175.55 173.71 1s2p s ALA 116 N -3.66 -0.41 -0.25 9.51 0.00 -0.50 -2.62 121.76 123.82 1s2p s ALA 116 Ca 0.04 0.46 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1s2p s ALA 116 Cb 0.05 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.90 1s2p s ALA 116 CO -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 175.76 175.57 1s2p s LEU 118 N 1.44 2.77 -0.04 0.00 1.43 -0.11 -0.62 118.68 123.55 1s2p s LEU 118 Ca 0.03 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1s2p s LEU 118 Cb -0.16 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.47 1s2p s LEU 118 CO -0.02 0.25 0.10 -0.47 0.23 0.00 0.00 176.35 176.44 1s2p s TYR 119 N -0.97 -0.10 -0.03 0.29 5.04 -0.07 -1.24 117.35 120.28 1s2p s TYR 119 Ca 0.16 0.30 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 1s2p s TYR 119 Cb -0.11 -0.06 -0.00 0.00 0.35 0.00 0.00 41.96 42.14 1s2p s TYR 119 CO 0.07 -0.10 -0.12 0.45 -1.34 0.00 0.00 175.55 174.51 1s2p s SER 120 N 0.65 1.54 -0.04 4.32 0.15 -0.07 -0.38 113.70 119.87 1s2p s SER 120 Ca -0.05 -0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.30 1s2p s SER 120 Cb -0.07 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.89 1s2p s SER 120 CO -0.03 0.11 0.14 0.00 1.20 0.00 0.00 173.24 174.66 1s2p s ILE 122 N -0.44 0.45 -0.11 0.00 1.10 -0.15 -4.86 121.20 117.19 1s2p s ILE 122 Ca -0.05 -0.14 -0.19 0.00 -0.51 0.00 0.00 60.65 59.76 1s2p s ILE 122 Cb -0.03 -0.44 -0.04 0.00 0.15 0.00 0.00 42.46 42.09 1s2p s ILE 122 CO 0.01 0.17 0.51 -1.81 -2.11 0.00 0.00 174.94 171.71 1s2p s ASP 123 N 0.50 6.74 0.74 4.50 1.01 -1.26 -1.50 116.67 127.39 1s2p s ASP 123 Ca -0.06 0.88 -0.03 0.00 0.71 0.00 0.00 52.55 54.05 1s2p s ASP 123 Cb -0.10 -2.31 0.12 0.00 1.01 0.00 0.00 42.92 41.65 1s2p s ASP 123 CO -0.00 -0.02 1.02 -0.31 0.21 0.00 0.00 175.17 176.07 1s2p s TYR 124 N 0.63 1.84 -2.35 4.23 1.51 -0.54 -5.01 117.35 117.67 1s2p s TYR 124 Ca 0.28 -0.10 0.23 0.00 -1.01 0.00 0.00 57.07 56.47 1s2p s TYR 124 Cb -0.16 -3.14 0.84 0.00 -0.11 0.00 0.00 41.96 39.40 1s2p s TYR 124 CO 0.12 -1.73 1.61 0.27 -1.11 0.00 0.00 175.55 174.71 1s2p n ASN 125 N -2.92 1.64 -0.49 2.29 0.23 -1.26 -4.31 115.26 110.44 1s2p n ASN 125 Ca 0.14 -1.64 0.07 0.00 -0.53 0.00 0.00 54.58 52.61 1s2p n ASN 125 Cb 0.60 -0.07 0.19 0.00 -2.08 0.00 0.00 39.78 38.42 1s2p n ASN 125 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 1s2p n PHE 126 N 0.29 0.00 -1.02 -2.53 1.16 -1.26 -4.97 117.46 109.13 1s2p n PHE 126 Ca 0.17 -1.39 0.00 0.00 -1.87 0.00 0.00 57.45 54.36 1s2p n PHE 126 Cb 0.34 -0.23 0.00 0.00 -1.61 0.00 0.00 39.48 37.98 1s2p n PHE 126 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1s2p n GLY 127 N -1.18 0.42 3.38 4.97 0.00 -1.26 -5.03 105.19 106.47 1s2p n GLY 127 Ca 0.18 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 1s2p n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s2p s TYR 128 N -2.00 1.72 0.15 1.61 2.02 -1.24 -1.01 117.35 118.60 1s2p s TYR 128 Ca 0.00 -1.03 0.01 0.00 -0.37 0.00 0.00 57.07 55.68 1s2p s TYR 128 Cb 0.00 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1s2p s TYR 128 CO 0.00 -0.13 0.00 -3.38 -1.57 0.00 0.00 175.55 170.47 1s2p s HIS 129 N -3.49 1.08 -0.05 2.71 -3.43 0.14 -1.47 115.29 110.78 1s2p s HIS 129 Ca 0.35 -1.04 0.05 0.00 -0.80 0.00 0.00 55.06 53.62 1s2p s HIS 129 Cb 0.08 -0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 30.60 1s2p s HIS 129 CO 0.13 -0.26 -0.20 -1.12 -2.00 0.00 0.00 174.74 171.29 1s2p s SER 130 N -3.13 2.53 0.12 7.38 0.01 -0.56 -0.33 113.70 119.73 1s2p s SER 130 Ca 0.22 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.11 1s2p s SER 130 Cb 0.06 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 1s2p s SER 130 CO 0.02 0.18 -0.13 1.51 0.41 0.00 0.00 173.24 175.23 1s2p s ASP 131 N -0.01 1.91 -0.05 2.44 1.47 -1.23 -0.98 116.67 120.22 1s2p s ASP 131 Ca -0.05 -0.83 -0.02 0.00 1.18 0.00 0.00 52.55 52.83 1s2p s ASP 131 Cb -0.13 -0.05 0.03 0.00 -0.34 0.00 0.00 42.92 42.43 1s2p s ASP 131 CO 0.03 -0.18 0.06 -0.36 0.68 0.00 0.00 175.17 175.40 1s2p s PHE 132 N -2.32 0.12 0.14 2.11 0.40 -0.10 -4.90 117.98 113.43 1s2p s PHE 132 Ca 0.09 0.18 0.10 0.00 -0.60 0.00 0.00 56.93 56.70 1s2p s PHE 132 Cb -0.04 -0.52 -0.04 0.00 0.51 0.00 0.00 43.02 42.93 1s2p s PHE 132 CO 0.02 -0.23 -0.23 -1.12 0.70 0.00 0.00 175.22 174.37 1s2p s SER 133 N 2.15 3.57 0.00 1.36 0.01 -1.26 -0.89 113.70 118.64 1s2p s SER 133 Ca 0.05 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 1s2p s SER 133 Cb -0.12 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 1s2p s SER 133 CO -0.04 0.17 0.03 -0.36 0.41 0.00 0.00 173.24 173.45 1s2p s PHE 134 N -1.21 0.09 -0.22 2.43 0.08 -0.37 -1.58 117.98 117.21 1s2p s PHE 134 Ca 0.17 -0.19 -0.02 0.00 0.12 0.00 0.00 56.93 57.01 1s2p s PHE 134 Cb -0.10 -0.08 0.01 0.00 -0.57 0.00 0.00 43.02 42.28 1s2p s PHE 134 CO 0.08 -0.14 -0.09 0.42 -0.10 0.00 0.00 175.22 175.40 1s2p s ILE 135 N -0.83 2.92 0.05 0.64 1.01 -0.06 -0.94 121.20 124.00 1s2p s ILE 135 Ca -0.09 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1s2p s ILE 135 Cb -0.06 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1s2p s ILE 135 CO -0.00 0.41 0.01 -0.36 0.00 0.00 0.00 174.94 175.00 1s2p s PHE 136 N 1.40 3.06 0.08 3.97 2.99 0.61 -0.32 117.98 129.77 1s2p s PHE 136 Ca 0.04 0.04 0.05 0.00 0.00 0.00 0.00 56.93 57.06 1s2p s PHE 136 Cb -0.14 -1.61 -0.03 0.00 0.00 0.00 0.00 43.02 41.24 1s2p s PHE 136 CO -0.06 0.48 -0.13 0.45 -0.00 0.00 0.00 175.22 175.96 1s2p s SER 137 N -1.98 1.61 0.00 1.36 0.15 -0.07 -1.41 113.70 113.35 1s2p s SER 137 Ca 0.23 -0.66 0.27 0.00 0.70 0.00 0.00 55.95 56.50 1s2p s SER 137 Cb -0.12 -0.04 1.42 0.00 -1.71 0.00 0.00 66.02 65.58 1s2p s SER 137 CO 0.15 -0.12 1.94 0.54 1.20 0.00 0.00 173.24 176.95 1s2p n ARG 138 N 1.11 0.47 -4.35 5.44 5.12 -0.29 -0.23 116.66 123.92 1s2p n ARG 138 Ca -0.20 0.03 -0.20 0.00 -1.93 0.00 0.00 57.85 55.55 1s2p n ARG 138 Cb 0.55 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.26 1s2p n ARG 138 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s2p s SER 139 N -2.47 1.73 0.32 0.55 1.04 -1.26 -4.83 113.70 108.77 1s2p s SER 139 Ca 0.28 -1.59 0.03 0.00 0.48 0.00 0.00 55.95 55.15 1s2p s SER 139 Cb 0.18 0.41 0.53 0.00 0.10 0.00 0.00 66.02 67.25 1s2p s SER 139 CO 0.40 -0.91 1.84 0.00 0.98 0.00 0.00 173.24 175.55 1s2p h ALA 140 N 2.15 1.30 -1.79 5.32 0.00 -1.96 -3.43 119.26 120.86 1s2p h ALA 140 Ca -0.33 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 53.89 1s2p h ALA 140 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1s2p h ALA 140 CO 0.51 0.48 -0.41 -0.80 0.00 0.00 0.00 179.25 179.03 1s2p s ASN 141 N -6.71 5.46 -0.09 0.00 0.01 -1.26 -4.68 114.94 107.67 1s2p s ASN 141 Ca -0.08 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 1s2p s ASN 141 Cb 0.15 -0.99 0.05 0.00 0.41 0.00 0.00 41.25 40.87 1s2p s ASN 141 CO 0.78 -0.42 0.18 -0.22 -1.51 0.00 0.00 177.10 175.91 1s2p s LEU 142 N -4.07 0.14 0.54 0.60 2.96 -1.26 -4.81 118.68 112.78 1s2p s LEU 142 Ca 0.43 0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 54.52 1s2p s LEU 142 Cb -0.07 0.43 -0.05 0.00 0.50 0.00 0.00 46.19 47.00 1s2p s LEU 142 CO 0.28 -0.21 1.28 0.00 -1.32 0.00 0.00 176.35 176.38 1s2p s ALA 143 N 1.91 2.78 0.42 5.97 0.00 -1.26 -4.79 121.76 126.79 1s2p s ALA 143 Ca -0.02 1.17 0.21 0.00 0.00 0.00 0.00 51.96 53.32 1s2p s ALA 143 Cb -0.12 -3.50 1.16 0.00 0.00 0.00 0.00 23.12 20.66 1s2p s ALA 143 CO -0.07 -1.17 1.79 0.22 0.00 0.00 0.00 175.76 176.53 1s2p h ASP 144 N 1.45 0.38 -0.73 0.00 3.58 -2.01 -1.03 116.42 118.06 1s2p h ASP 144 Ca -0.50 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.02 1s2p h ASP 144 Cb 1.29 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 1s2p h ASP 144 CO 0.57 0.09 0.48 0.06 -2.88 0.00 0.00 179.24 177.56 1s2p h GLN 145 N 0.34 0.97 0.22 0.28 3.07 -2.00 0.29 115.11 118.29 1s2p h GLN 145 Ca 0.57 -0.06 -0.30 0.00 0.09 0.00 0.00 58.65 58.94 1s2p h GLN 145 Cb 1.54 -0.22 0.03 0.00 0.08 0.00 0.00 27.48 28.91 1s2p h GLN 145 CO -0.24 0.65 -1.36 1.88 0.09 0.00 0.00 178.83 179.85 1s2p h TYR 146 N 1.00 0.83 -0.75 0.06 -1.99 -1.56 -3.21 116.97 111.36 1s2p h TYR 146 Ca 0.27 -0.61 0.13 0.00 2.00 0.00 0.00 58.73 60.52 1s2p h TYR 146 Cb -0.10 -0.03 -0.09 0.00 2.00 0.00 0.00 36.73 38.50 1s2p h TYR 146 CO 0.00 1.52 0.32 0.28 -0.00 0.00 0.00 178.16 180.28 1s2p h VAL 147 N 0.00 0.71 -0.18 -2.88 2.07 -1.10 -1.38 116.25 113.49 1s2p h VAL 147 Ca -0.25 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1s2p h VAL 147 Cb 2.03 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1s2p h VAL 147 CO 0.23 0.09 -0.04 0.11 0.02 0.00 0.00 177.57 177.97 1s2p h LYS 148 N 0.49 0.26 -0.33 1.57 1.57 -1.01 -0.32 116.57 118.80 1s2p h LYS 148 Ca 0.40 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1s2p h LYS 148 Cb 0.56 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1s2p h LYS 148 CO -0.37 0.33 0.06 0.87 -0.57 0.00 0.00 179.45 179.77 1s2p h LYS 149 N 0.26 0.55 -0.59 3.15 1.57 -1.26 -1.37 116.57 118.87 1s2p h LYS 149 Ca 0.06 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1s2p h LYS 149 Cb 0.25 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1s2p h LYS 149 CO 0.01 0.63 0.14 0.00 -0.57 0.00 0.00 179.45 179.66 1s2p h GLU 151 N 0.86 0.71 -0.46 0.00 4.81 -0.90 -0.90 114.58 118.69 1s2p h GLU 151 Ca 0.19 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1s2p h GLU 151 Cb 0.35 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1s2p h GLU 151 CO 0.00 0.47 -0.03 0.00 -0.73 0.00 0.00 179.01 178.72 1s2p h ALA 152 N 1.40 0.63 -0.72 2.92 0.00 -1.04 -1.25 119.26 121.20 1s2p h ALA 152 Ca 0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1s2p h ALA 152 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1s2p h ALA 152 CO -0.21 0.45 0.24 0.00 0.00 0.00 0.00 179.25 179.73 1s2p h ALA 153 N 0.90 1.07 -0.27 0.00 0.00 -0.62 -0.77 119.26 119.57 1s2p h ALA 153 Ca 0.13 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1s2p h ALA 153 Cb 0.55 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s2p h ALA 153 CO 0.03 0.64 -0.41 0.74 0.00 0.00 0.00 179.25 180.25 1s2p h PHE 154 N 1.06 0.93 -0.49 0.00 -1.00 -1.11 -2.99 116.94 113.34 1s2p h PHE 154 Ca 0.24 -0.31 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 1s2p h PHE 154 Cb 0.27 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1s2p h PHE 154 CO 0.02 1.10 0.23 0.87 -1.61 0.00 0.00 178.31 178.92 1s2p h LYS 155 N 0.50 0.68 0.00 1.51 1.57 -1.00 -1.69 116.57 118.15 1s2p h LYS 155 Ca 0.03 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1s2p h LYS 155 Cb 1.00 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1s2p h LYS 155 CO 0.09 0.54 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.52 1s2p h ASN 156 N 0.68 0.00 -0.27 0.86 -1.24 -0.99 -1.18 115.58 113.44 1s2p h ASN 156 Ca 0.17 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 1s2p h ASN 156 Cb 0.08 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 1s2p h ASN 156 CO -0.02 0.02 0.00 2.30 -1.29 0.00 0.00 177.43 178.44 1s2p n ILE 157 N -3.20 2.32 -1.81 2.57 -5.35 -0.70 -4.97 119.36 108.22 1s2p n ILE 157 Ca -0.01 -1.99 -0.10 0.00 -0.27 0.00 0.00 62.75 60.38 1s2p n ILE 157 Cb 0.19 -0.27 -0.02 0.00 -1.74 0.00 0.00 39.64 37.80 1s2p n ILE 157 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1s2p n ASN 158 N -0.61 -3.73 -4.71 7.28 5.15 -0.45 -4.84 115.26 113.35 1s2p n ASN 158 Ca 0.23 0.10 -0.38 0.00 -0.60 0.00 0.00 54.58 53.93 1s2p n ASN 158 Cb 0.92 -2.62 -0.07 0.00 -0.53 0.00 0.00 39.78 37.48 1s2p n ASN 158 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1s2p s VAL 159 N -2.45 5.21 -0.51 3.44 1.01 -0.80 -5.02 120.40 121.28 1s2p s VAL 159 Ca 0.00 0.82 -0.28 0.00 0.00 0.00 0.00 61.98 62.52 1s2p s VAL 159 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1s2p s VAL 159 CO 0.00 0.31 1.54 -0.62 0.00 0.00 0.00 175.10 176.34 1s2p s ASP 160 N 0.71 5.99 0.03 3.32 -1.08 -1.26 -4.06 116.67 120.32 1s2p s ASP 160 Ca 0.23 0.53 0.19 0.00 -0.52 0.00 0.00 52.55 52.98 1s2p s ASP 160 Cb -0.15 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.59 1s2p s ASP 160 CO 0.08 -1.77 1.61 0.35 0.52 0.00 0.00 175.17 175.96 1s2p n THR 161 N 7.03 0.72 0.20 1.71 -2.24 -1.26 -1.44 114.28 119.01 1s2p n THR 161 Ca 0.16 0.17 0.06 0.00 -2.27 0.00 0.00 64.05 62.16 1s2p n THR 161 Cb 0.49 -0.88 0.27 0.00 -2.10 0.00 0.00 70.33 68.11 1s2p n THR 161 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1s2p n THR 162 N -1.58 1.41 0.40 4.28 -2.24 -1.26 -1.92 114.28 113.36 1s2p n THR 162 Ca 0.04 0.47 0.14 0.00 -2.27 0.00 0.00 64.05 62.43 1s2p n THR 162 Cb 0.23 -1.41 0.47 0.00 -2.10 0.00 0.00 70.33 67.52 1s2p n THR 162 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1s2p h ARG 163 N 0.00 0.00 -6.89 -0.78 3.08 -1.65 -3.46 114.38 104.69 1s2p h ARG 163 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1s2p h ARG 163 Cb 0.10 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.20 1s2p h ARG 163 CO 0.00 0.00 0.56 -0.06 -1.07 0.00 0.00 179.97 179.40 1s2p s PHE 164 N -3.34 3.15 -0.05 3.04 0.08 -0.81 -4.12 117.98 115.94 1s2p s PHE 164 Ca 0.05 1.52 0.03 0.00 0.12 0.00 0.00 56.93 58.65 1s2p s PHE 164 Cb 0.09 -3.51 0.01 0.00 -0.57 0.00 0.00 43.02 39.04 1s2p s PHE 164 CO 0.52 -1.43 -0.11 0.08 -0.10 0.00 0.00 175.22 174.17 1s2p s VAL 165 N -1.23 1.03 0.37 -0.44 1.01 -0.63 -4.95 120.40 115.56 1s2p s VAL 165 Ca 0.51 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 1s2p s VAL 165 Cb -0.35 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 1s2p s VAL 165 CO 0.46 0.32 1.18 -0.75 0.00 0.00 0.00 175.10 176.31 1s2p s LYS 166 N 0.47 4.20 -0.05 2.72 2.20 -1.26 -1.55 119.74 126.46 1s2p s LYS 166 Ca -0.10 1.89 -0.10 0.00 -0.36 0.00 0.00 55.97 57.30 1s2p s LYS 166 Cb -0.13 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.32 1s2p s LYS 166 CO 0.02 -0.20 0.26 0.99 -0.36 0.00 0.00 175.35 176.06 1s2p s THR 167 N -1.33 5.29 0.11 3.43 2.01 -0.51 -4.92 115.64 119.72 1s2p s THR 167 Ca 0.54 0.44 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 1s2p s THR 167 Cb -0.32 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 1s2p s THR 167 CO 0.41 0.56 1.74 -0.69 -0.69 0.00 0.00 174.62 175.94 1s2p s VAL 168 N -1.10 2.69 0.22 3.82 1.01 -1.26 -4.89 120.40 120.89 1s2p s VAL 168 Ca 0.20 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1s2p s VAL 168 Cb -0.14 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1s2p s VAL 168 CO 0.10 0.00 0.28 -1.10 0.00 0.00 0.00 175.10 174.38 1s2p s GLN 169 N 2.47 1.34 0.00 2.72 -1.52 -1.26 -0.43 119.66 122.98 1s2p s GLN 169 Ca 0.77 -1.46 0.00 0.00 -1.95 0.00 0.00 55.36 52.72 1s2p s GLN 169 Cb -0.44 0.36 0.00 0.00 -0.22 0.00 0.00 33.01 32.71 1s2p s GLN 169 CO 0.34 -0.50 0.00 0.41 -0.25 0.00 0.00 175.29 175.29 1s2p n GLY 170 N -0.32 -0.19 0.34 3.09 0.00 -1.26 -4.73 105.19 102.12 1s2p n GLY 170 Ca 0.00 -2.22 0.21 0.00 0.00 0.00 0.00 46.02 44.02 1s2p n GLY 170 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s2p h SER 171 N 0.00 0.00 0.99 1.61 4.64 -2.01 -0.07 113.55 118.71 1s2p h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s2p h SER 171 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s2p h SER 171 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 1s2p n SER 172 N -3.12 0.16 -4.76 4.97 3.41 -1.26 -4.85 113.62 108.17 1s2p n SER 172 Ca -0.03 0.52 -0.39 0.00 -0.26 0.00 0.00 58.87 58.71 1s2p n SER 172 Cb 0.12 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 1s2p n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s2p n PRO 174 N 2.64 4.14 -0.29 0.00 -0.04 -1.26 -4.74 135.00 135.45 1s2p n PRO 174 Ca -0.06 -2.91 -0.01 0.00 -0.04 0.00 0.00 63.50 60.49 1s2p n PRO 174 Cb 0.51 -2.73 0.11 0.00 -0.04 0.00 0.00 33.50 31.35 1s2p n PRO 174 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1s2p h TYR 175 N 4.85 0.94 0.00 0.54 0.99 -1.93 -0.06 116.97 122.30 1s2p h TYR 175 Ca 0.77 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 61.49 1s2p h TYR 175 Cb 0.31 -0.31 -0.00 0.00 1.00 0.00 0.00 36.73 37.73 1s2p h TYR 175 CO 1.71 0.51 -0.15 -0.44 -0.00 0.00 0.00 178.16 179.79 1s2p h ASP 176 N 0.95 0.00 0.11 3.88 3.45 -2.00 -0.75 116.42 122.06 1s2p h ASP 176 Ca 0.34 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.54 1s2p h ASP 176 Cb 0.09 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.88 1s2p h ASP 176 CO -0.14 0.15 -1.06 0.74 -1.57 0.00 0.00 179.24 177.37 1s2p h THR 177 N 0.00 1.35 -0.96 0.35 2.02 -1.61 -3.32 112.91 110.74 1s2p h THR 177 Ca -0.00 -2.42 0.09 0.00 0.77 0.00 0.00 66.41 64.85 1s2p h THR 177 Cb 0.29 2.80 -0.07 0.00 -1.74 0.00 0.00 68.15 69.43 1s2p h THR 177 CO 0.02 0.72 0.60 1.56 0.37 0.00 0.00 175.52 178.79 1s2p h GLN 178 N 0.07 0.99 0.00 6.66 4.20 -0.44 -1.76 115.11 124.83 1s2p h GLN 178 Ca -0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1s2p h GLN 178 Cb 1.77 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.32 1s2p h GLN 178 CO 0.20 0.66 0.00 0.36 -0.67 0.00 0.00 178.83 179.38 1s2p n LYS 179 N -4.60 0.04 0.00 1.46 2.85 -0.34 -2.18 118.16 115.39 1s2p n LYS 179 Ca 0.16 0.24 0.09 0.00 -1.05 0.00 0.00 58.31 57.74 1s2p n LYS 179 Cb 0.26 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.15 1s2p n LYS 179 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1s2p n THR 180 N -1.46 0.00 0.70 0.58 -2.24 -0.66 -5.12 114.28 106.09 1s2p n THR 180 Ca 0.04 -0.35 0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1s2p n THR 180 Cb 0.15 1.23 0.33 0.00 -2.10 0.00 0.00 70.33 69.95 1s2p n THR 180 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68