#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 n PRO 2 N 0.00 0.21 0.00 0.03 -0.04 -1.26 -4.61 135.00 129.33 1i16 n PRO 2 Ca 0.00 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1i16 n PRO 2 Cb 0.00 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1i16 n PRO 2 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i16 n ASP 3 N -2.13 0.00 -1.76 3.54 2.03 -1.26 -5.01 116.55 111.96 1i16 n ASP 3 Ca 0.05 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.36 1i16 n ASP 3 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1i16 n LEU 4 N 0.00 -2.93 -4.12 -2.67 7.94 -1.26 -4.18 117.00 109.78 1i16 n LEU 4 Ca 0.00 0.03 -0.44 0.00 -1.11 0.00 0.00 56.01 54.49 1i16 n LEU 4 Cb 0.00 -1.42 -0.00 0.00 0.53 0.00 0.00 43.42 42.53 1i16 n LEU 4 CO 0.00 -0.28 -0.23 -0.46 -1.11 0.00 0.00 177.39 175.31 1i16 n ASN 5 N -0.90 -3.11 -0.42 1.96 0.23 -1.26 -4.94 115.26 106.83 1i16 n ASN 5 Ca 0.01 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.76 1i16 n ASN 5 Cb 0.35 -1.68 0.00 0.00 -2.08 0.00 0.00 39.78 36.37 1i16 n ASN 5 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1i16 n SER 6 N -2.31 0.00 -0.49 0.53 7.64 -1.26 -5.01 113.62 112.73 1i16 n SER 6 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1i16 n SER 6 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1i16 n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i16 n SER 7 N 0.00 -3.77 -3.98 6.43 7.64 -1.26 -4.76 113.62 113.92 1i16 n SER 7 Ca 0.00 0.36 -0.33 0.00 1.01 0.00 0.00 58.87 59.91 1i16 n SER 7 Cb 0.00 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 62.56 1i16 n SER 7 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1i16 n THR 8 N -0.43 -3.34 -2.74 0.44 -2.24 -1.26 -4.90 114.28 99.81 1i16 n THR 8 Ca 0.00 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.08 1i16 n THR 8 Cb 0.00 -2.71 0.03 0.00 -2.10 0.00 0.00 70.33 65.55 1i16 n THR 8 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1i16 n ASP 9 N -2.70 -2.83 -0.10 3.42 9.92 -1.26 -4.98 116.55 118.02 1i16 n ASP 9 Ca -0.21 -2.77 0.02 0.00 -0.53 0.00 0.00 54.79 51.30 1i16 n ASP 9 Cb 0.64 1.59 0.03 0.00 -0.64 0.00 0.00 41.12 42.74 1i16 n ASP 9 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1i16 n SER 10 N 2.24 1.24 -4.69 -2.24 3.41 -1.26 -5.04 113.62 107.29 1i16 n SER 10 Ca 0.12 -2.01 -0.42 0.00 -0.26 0.00 0.00 58.87 56.30 1i16 n SER 10 Cb 0.61 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 s ALA 11 N -1.02 3.61 0.00 7.33 0.00 -1.26 -4.90 121.76 125.52 1i16 s ALA 11 Ca 0.08 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1i16 s ALA 11 Cb 0.07 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1i16 s ALA 11 CO 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 175.76 174.79 1i16 n ALA 12 N 5.50 1.87 -2.48 0.00 0.00 -1.26 -4.99 120.51 119.15 1i16 n ALA 12 Ca 0.14 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1i16 n ALA 12 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 1i16 n ALA 12 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 13 N -0.74 6.13 0.87 0.00 0.01 -1.26 -5.07 113.70 113.64 1i16 s SER 13 Ca 0.00 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.36 1i16 s SER 13 Cb 0.00 -2.17 0.13 0.00 0.21 0.00 0.00 66.02 64.19 1i16 s SER 13 CO 0.00 -0.45 1.24 0.00 0.41 0.00 0.00 173.24 174.44 1i16 s ALA 14 N 1.80 2.49 0.00 1.44 0.00 -1.26 -4.87 121.76 121.37 1i16 s ALA 14 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1i16 s ALA 14 Cb -0.18 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1i16 s ALA 14 CO 0.11 -2.00 0.00 0.43 0.00 0.00 0.00 175.76 174.30 1i16 n SER 15 N -3.50 -2.08 -2.95 0.00 7.64 -1.25 -4.75 113.62 106.73 1i16 n SER 15 Ca 0.11 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.98 1i16 n SER 15 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 s ALA 16 N -1.89 -2.55 0.00 -0.43 0.00 -1.26 -5.06 121.76 110.57 1i16 s ALA 16 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1i16 s ALA 16 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1i16 s ALA 16 CO 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 175.76 173.49 1i16 n ALA 17 N 3.60 0.00 -1.54 0.00 0.00 -1.26 -5.08 120.51 116.23 1i16 n ALA 17 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 1i16 n ALA 17 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 1i16 n ALA 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 18 N 0.00 1.31 -2.47 0.00 2.88 -1.26 -4.73 113.62 109.35 1i16 n SER 18 Ca 0.00 -0.92 -0.27 0.00 -1.33 0.00 0.00 58.87 56.34 1i16 n SER 18 Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 1i16 n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1i16 n ASP 19 N 15.21 4.84 -2.87 -3.46 9.92 -1.26 -5.01 116.55 133.92 1i16 n ASP 19 Ca 0.49 -3.73 0.00 0.00 -0.53 0.00 0.00 54.79 51.03 1i16 n ASP 19 Cb 0.38 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1i16 n ASP 19 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1i16 n VAL 20 N -0.50 -1.51 -1.57 2.53 0.24 -1.26 -4.87 118.33 111.38 1i16 n VAL 20 Ca 0.40 0.31 0.02 0.00 -2.04 0.00 0.00 64.34 63.03 1i16 n VAL 20 Cb 0.66 -2.55 0.20 0.00 -1.47 0.00 0.00 33.84 30.68 1i16 n VAL 20 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1i16 n SER 21 N 1.65 2.02 -2.61 -1.34 3.41 -1.26 -4.62 113.62 110.87 1i16 n SER 21 Ca 0.00 -3.87 0.01 0.00 -0.26 0.00 0.00 58.87 54.74 1i16 n SER 21 Cb 0.31 -0.56 0.05 0.00 -0.26 0.00 0.00 64.21 63.75 1i16 n SER 21 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1i16 n VAL 22 N -1.11 1.02 0.00 -3.33 0.24 -1.26 -4.99 118.33 108.89 1i16 n VAL 22 Ca 0.24 -2.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 1i16 n VAL 22 Cb 0.80 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.42 1i16 n VAL 22 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1i16 n GLU 23 N -0.44 0.00 -2.28 7.34 0.28 -1.26 -5.08 120.64 119.20 1i16 n GLU 23 Ca 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.04 1i16 n GLU 23 Cb 0.86 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.71 1i16 n GLU 23 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1i16 n SER 24 N 0.00 -3.73 -0.84 -1.84 7.64 -1.26 -4.94 113.62 108.64 1i16 n SER 24 Ca 0.00 0.94 0.08 0.00 1.01 0.00 0.00 58.87 60.90 1i16 n SER 24 Cb 0.00 -3.90 0.24 0.00 -1.01 0.00 0.00 64.21 59.53 1i16 n SER 24 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1i16 n THR 25 N 0.77 1.97 -1.53 0.44 -2.24 -1.26 -4.95 114.28 107.48 1i16 n THR 25 Ca -0.13 -1.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 1i16 n THR 25 Cb 0.20 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 n ALA 26 N -0.24 -2.25 -2.50 6.98 0.00 -1.26 -4.92 120.51 116.33 1i16 n ALA 26 Ca 0.19 0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 1i16 n ALA 26 Cb 0.78 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1i16 n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i16 n GLU 27 N 0.63 -3.63 0.00 0.00 1.02 -1.26 -5.02 120.64 112.38 1i16 n GLU 27 Ca 0.00 2.85 0.00 0.00 -0.02 0.00 0.00 57.16 59.99 1i16 n GLU 27 Cb 0.00 -4.68 0.00 0.00 -0.02 0.00 0.00 31.44 26.74 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 n ALA 28 N 1.12 0.00 -2.56 0.62 0.00 -1.26 -4.49 120.51 113.94 1i16 n ALA 28 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 1i16 n ALA 28 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -0.98 1.35 0.11 0.00 -4.23 0.11 -4.97 115.64 107.03 1i16 s THR 29 Ca 0.00 -1.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.61 1i16 s THR 29 Cb 0.00 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1i16 s THR 29 CO 0.00 0.16 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.30 1i16 s VAL 30 N -0.72 2.38 -0.36 2.29 1.01 -1.26 -0.35 120.40 123.38 1i16 s VAL 30 Ca 0.05 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.42 1i16 s VAL 30 Cb -0.08 -2.04 0.14 0.00 0.00 0.00 0.00 36.38 34.41 1i16 s VAL 30 CO 0.01 0.16 0.23 0.00 0.00 0.00 0.00 175.10 175.50 1i16 s THR 32 N 0.92 3.76 0.11 0.00 2.01 -1.26 -3.44 115.64 117.73 1i16 s THR 32 Ca 0.20 1.20 -0.05 0.00 0.31 0.00 0.00 61.69 63.35 1i16 s THR 32 Cb -0.20 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1i16 s THR 32 CO -0.01 0.05 0.12 0.68 -0.69 0.00 0.00 174.62 174.76 1i16 s VAL 33 N 1.72 0.13 -0.11 3.82 -7.23 -0.49 -4.96 120.40 113.28 1i16 s VAL 33 Ca 0.62 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1i16 s VAL 33 Cb -0.31 -1.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1i16 s VAL 33 CO 0.28 -0.61 -0.09 0.42 -0.31 0.00 0.00 175.10 174.79 1i16 s THR 34 N -3.95 3.48 -0.78 5.32 -4.23 -1.26 0.23 115.64 114.45 1i16 s THR 34 Ca 0.13 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1i16 s THR 34 Cb 0.06 -2.46 0.32 0.00 1.34 0.00 0.00 72.50 71.76 1i16 s THR 34 CO -0.05 0.54 1.26 0.18 -0.54 0.00 0.00 174.62 176.02 1i16 n LEU 35 N 3.03 5.54 0.00 4.79 7.99 0.53 -4.85 117.00 134.02 1i16 n LEU 35 Ca -0.18 -5.52 0.00 0.00 -0.01 0.00 0.00 56.01 50.30 1i16 n LEU 35 Cb 0.53 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 1i16 n LEU 35 CO 0.30 2.16 0.00 -0.62 -1.51 0.00 0.00 177.39 177.72 1i16 n GLU 36 N 0.08 0.00 -2.47 3.23 -0.58 -1.26 -4.35 120.64 115.29 1i16 n GLU 36 Ca 0.36 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.69 1i16 n GLU 36 Cb 0.34 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.18 1i16 n GLU 36 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1i16 s LYS 37 N 0.00 3.11 -0.05 3.49 3.01 0.69 -4.66 119.74 125.34 1i16 s LYS 37 Ca 0.00 -0.14 0.13 0.00 -1.01 0.00 0.00 55.97 54.95 1i16 s LYS 37 Cb 0.00 -4.25 0.24 0.00 -1.01 0.00 0.00 37.83 32.81 1i16 s LYS 37 CO 0.00 -2.24 1.12 -1.33 0.51 0.00 0.00 175.35 173.41 1i16 n MET 38 N 9.34 0.25 0.00 1.68 2.81 -1.26 -3.91 117.12 126.03 1i16 n MET 38 Ca 0.07 -1.60 0.00 0.00 -1.81 0.00 0.00 57.70 54.36 1i16 n MET 38 Cb 0.49 0.14 0.00 0.00 -0.71 0.00 0.00 33.22 33.15 1i16 n MET 38 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1i16 n SER 39 N 0.01 0.26 -0.10 7.83 7.64 -1.26 -5.01 113.62 122.98 1i16 n SER 39 Ca -0.11 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.90 1i16 n SER 39 Cb 0.90 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 64.65 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 40 N -3.00 2.82 0.00 -0.43 0.00 -1.26 -4.75 120.51 113.89 1i16 n ALA 40 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1i16 n ALA 40 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1i16 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 41 N 1.33 -1.41 1.53 0.00 0.00 -1.26 -4.89 105.19 100.49 1i16 n GLY 41 Ca 0.13 0.60 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 1i16 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 42 N 0.00 -0.11 -0.05 0.99 4.77 -1.26 0.03 117.00 121.36 1i16 n LEU 42 Ca 0.00 0.17 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 1i16 n LEU 42 Cb 0.00 -0.80 -0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1i16 n LEU 42 CO 0.00 -0.05 -0.01 0.61 -1.33 0.00 0.00 177.39 176.61 1i16 n GLY 43 N -0.18 0.06 3.07 -0.72 0.00 -1.26 -4.88 105.19 101.27 1i16 n GLY 43 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1i16 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i16 s PHE 44 N -0.85 0.23 0.00 1.61 -0.12 0.10 0.20 117.98 119.16 1i16 s PHE 44 Ca 0.00 -0.52 0.07 0.00 -0.05 0.00 0.00 56.93 56.43 1i16 s PHE 44 Cb 0.00 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 1i16 s PHE 44 CO 0.00 -0.30 -0.22 0.45 -0.05 0.00 0.00 175.22 175.11 1i16 s SER 45 N -1.88 2.56 -0.10 1.98 0.15 -0.58 -4.87 113.70 110.96 1i16 s SER 45 Ca -0.09 -0.43 -0.11 0.00 0.70 0.00 0.00 55.95 56.01 1i16 s SER 45 Cb -0.04 -0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 1i16 s SER 45 CO -0.03 0.24 0.27 -0.76 1.20 0.00 0.00 173.24 174.16 1i16 s LEU 46 N -0.71 4.37 0.07 3.45 1.02 -1.26 -1.31 118.68 124.30 1i16 s LEU 46 Ca 0.08 0.62 -0.17 0.00 0.02 0.00 0.00 54.13 54.69 1i16 s LEU 46 Cb -0.09 -2.32 0.03 0.00 0.02 0.00 0.00 46.19 43.84 1i16 s LEU 46 CO -0.00 0.29 0.39 -1.61 0.02 0.00 0.00 176.35 175.44 1i16 s GLU 47 N -0.56 0.95 0.00 1.70 2.02 0.74 -4.73 118.70 118.82 1i16 s GLU 47 Ca 0.18 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1i16 s GLU 47 Cb -0.14 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1i16 s GLU 47 CO 0.07 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.42 1i16 n GLY 48 N 0.28 -1.66 0.00 -1.39 0.00 -1.26 0.15 105.19 101.30 1i16 n GLY 48 Ca -0.18 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N 0.00 -0.62 3.12 -0.02 0.00 -1.26 -5.01 105.19 101.40 1i16 n GLY 49 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 46.02 46.57 1i16 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i16 n LYS 50 N 0.00 -1.16 -1.51 1.61 2.85 -1.26 -3.76 118.16 114.93 1i16 n LYS 50 Ca 0.00 -0.33 -0.34 0.00 -1.05 0.00 0.00 58.31 56.58 1i16 n LYS 50 Cb 0.00 -1.40 -0.15 0.00 -0.65 0.00 0.00 35.03 32.83 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i16 n GLY 51 N 2.62 -0.37 0.86 2.58 0.00 -1.26 -4.61 105.19 105.00 1i16 n GLY 51 Ca 0.01 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.79 1i16 n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i16 n SER 52 N 10.67 0.59 0.00 1.61 7.64 -1.26 -5.05 113.62 127.81 1i16 n SER 52 Ca 0.61 0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1i16 n SER 52 Cb 0.15 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1i16 n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i16 n LEU 53 N -3.04 0.00 -1.44 -3.43 4.77 -1.26 -4.97 117.00 107.63 1i16 n LEU 53 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1i16 n LEU 53 Cb 0.04 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 1i16 n LEU 53 CO 0.02 0.00 0.20 1.41 -1.33 0.00 0.00 177.39 177.68 1i16 n HIS 54 N 0.00 0.80 0.00 -1.77 8.25 -1.26 -4.87 115.22 116.36 1i16 n HIS 54 Ca 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 57.72 55.95 1i16 n HIS 54 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i16 n GLY 55 N -0.57 0.10 0.00 -1.41 0.00 -1.26 -3.94 105.19 98.11 1i16 n GLY 55 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1i16 n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i16 n ASP 56 N -2.46 0.00 -4.06 1.61 -0.08 -1.26 -4.56 116.55 105.74 1i16 n ASP 56 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 1i16 n ASP 56 Cb 0.00 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1i16 s LYS 57 N -2.00 2.82 -1.31 -0.67 0.00 -1.25 -4.73 119.74 112.61 1i16 s LYS 57 Ca 0.00 -2.99 -0.18 0.00 0.00 0.00 0.00 55.97 52.80 1i16 s LYS 57 Cb 0.00 -3.75 0.07 0.00 0.00 0.00 0.00 37.83 34.15 1i16 s LYS 57 CO 0.00 -1.23 1.76 -0.35 0.00 0.00 0.00 175.35 175.53 1i16 n PRO 58 N 2.72 3.19 -1.54 1.78 -0.04 -1.26 -4.72 135.00 135.12 1i16 n PRO 58 Ca 0.15 -3.26 -0.50 0.00 -0.04 0.00 0.00 63.50 59.86 1i16 n PRO 58 Cb 0.37 -3.48 -0.04 0.00 -0.04 0.00 0.00 33.50 30.31 1i16 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i16 n LEU 59 N 8.20 0.97 -4.03 1.53 4.32 -1.26 -4.63 117.00 122.10 1i16 n LEU 59 Ca 0.49 1.15 -0.08 0.00 -0.02 0.00 0.00 56.01 57.55 1i16 n LEU 59 Cb 0.46 -1.15 -0.10 0.00 -1.62 0.00 0.00 43.42 41.01 1i16 n LEU 59 CO 0.77 -1.62 -0.32 0.42 -1.22 0.00 0.00 177.39 175.42 1i16 s THR 60 N -0.36 0.19 -0.03 -5.08 -4.23 0.40 -3.34 115.64 103.18 1i16 s THR 60 Ca 0.73 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.39 1i16 s THR 60 Cb -0.90 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1i16 s THR 60 CO 0.54 -0.85 1.18 -0.63 -0.54 0.00 0.00 174.62 174.32 1i16 s ILE 61 N -3.44 4.27 -0.04 2.99 1.01 -1.14 0.26 121.20 125.11 1i16 s ILE 61 Ca 0.02 1.60 -0.03 0.00 0.00 0.00 0.00 60.65 62.24 1i16 s ILE 61 Cb 0.04 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1i16 s ILE 61 CO -0.08 0.03 -0.08 0.59 0.00 0.00 0.00 174.94 175.39 1i16 n ASN 62 N 4.90 0.64 -4.34 3.58 3.02 -0.43 0.26 115.26 122.89 1i16 n ASN 62 Ca 0.10 0.10 -0.46 0.00 -0.03 0.00 0.00 54.58 54.29 1i16 n ASN 62 Cb 0.47 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1i16 s ARG 63 N -2.14 3.50 0.02 3.52 1.81 -1.24 -4.86 118.95 119.56 1i16 s ARG 63 Ca -0.08 -2.25 -0.08 0.00 -1.72 0.00 0.00 55.73 51.60 1i16 s ARG 63 Cb 0.03 -4.45 -0.05 0.00 -0.45 0.00 0.00 34.95 30.03 1i16 s ARG 63 CO 0.11 -1.35 0.30 0.42 -0.68 0.00 0.00 175.30 174.10 1i16 s ILE 64 N 0.70 5.25 0.26 1.52 1.01 -1.26 -1.52 121.20 127.15 1i16 s ILE 64 Ca 0.17 0.26 0.08 0.00 0.00 0.00 0.00 60.65 61.16 1i16 s ILE 64 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1i16 s ILE 64 CO -0.07 0.36 0.15 -0.36 0.00 0.00 0.00 174.94 175.02 1i16 s PHE 65 N -1.31 2.99 -0.41 3.97 0.08 0.53 -4.96 117.98 118.88 1i16 s PHE 65 Ca 0.28 -0.15 -0.10 0.00 0.12 0.00 0.00 56.93 57.09 1i16 s PHE 65 Cb -0.13 -1.36 0.06 0.00 -0.57 0.00 0.00 43.02 41.02 1i16 s PHE 65 CO 0.16 0.53 0.25 0.21 -0.10 0.00 0.00 175.22 176.27 1i16 s LYS 66 N -3.80 2.67 0.00 0.44 2.36 -1.26 -4.87 119.74 115.28 1i16 s LYS 66 Ca 0.33 -1.35 0.00 0.00 -2.55 0.00 0.00 55.97 52.39 1i16 s LYS 66 Cb -0.07 -3.77 0.00 0.00 -1.05 0.00 0.00 37.83 32.93 1i16 s LYS 66 CO 0.24 -0.89 0.00 0.41 1.55 0.00 0.00 175.35 176.66 1i16 n GLY 67 N 4.95 1.79 7.00 5.54 0.00 -1.26 -5.14 105.19 118.07 1i16 n GLY 67 Ca -0.11 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 n ALA 68 N 0.00 0.00 -4.18 4.61 0.00 -1.26 -4.73 120.51 114.94 1i16 n ALA 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1i16 n ALA 68 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1i16 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 69 N 0.77 -1.45 -2.69 0.00 0.00 -1.26 -4.81 120.51 111.06 1i16 n ALA 69 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1i16 n ALA 69 Cb 0.00 -2.91 0.10 0.00 0.00 0.00 0.00 19.45 16.63 1i16 n ALA 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 70 N -2.73 -0.89 -0.03 0.00 7.64 -1.26 -4.16 113.62 112.19 1i16 n SER 70 Ca -0.02 -2.46 0.04 0.00 1.01 0.00 0.00 58.87 57.44 1i16 n SER 70 Cb 0.54 0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 64.23 1i16 n SER 70 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i16 n GLU 71 N -0.60 3.74 -1.42 1.43 1.02 -1.26 -4.52 120.64 119.02 1i16 n GLU 71 Ca -0.02 -0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.73 1i16 n GLU 71 Cb 0.84 -0.95 0.08 0.00 -0.02 0.00 0.00 31.44 31.39 1i16 n GLU 71 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i16 n GLN 72 N -1.10 2.80 -2.71 3.49 6.02 -1.26 -4.86 117.38 119.75 1i16 n GLN 72 Ca 0.02 -3.41 -0.10 0.00 -0.01 0.00 0.00 57.00 53.50 1i16 n GLN 72 Cb 0.15 -2.28 0.05 0.00 1.02 0.00 0.00 30.24 29.18 1i16 n GLN 72 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1i16 n SER 73 N -0.90 -3.87 -2.06 1.08 2.88 -1.26 -4.55 113.62 104.94 1i16 n SER 73 Ca 0.60 -0.43 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1i16 n SER 73 Cb 0.76 -3.45 -0.01 0.00 -0.75 0.00 0.00 64.21 60.75 1i16 n SER 73 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1i16 n GLU 74 N -2.73 -2.08 -1.15 -1.46 0.00 -1.26 -4.91 120.64 107.05 1i16 n GLU 74 Ca -0.09 1.85 -0.20 0.00 0.00 0.00 0.00 57.16 58.71 1i16 n GLU 74 Cb 0.59 -3.08 0.18 0.00 0.00 0.00 0.00 31.44 29.12 1i16 n GLU 74 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1i16 n THR 75 N 0.65 3.07 -4.27 6.31 5.66 -1.26 -4.95 114.28 119.50 1i16 n THR 75 Ca -0.13 -2.22 -0.14 0.00 -3.05 0.00 0.00 64.05 58.50 1i16 n THR 75 Cb 0.20 -0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 68.39 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1i16 s VAL 76 N -3.41 0.68 -0.13 1.08 -7.23 -1.26 -4.90 120.40 105.22 1i16 s VAL 76 Ca 0.54 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1i16 s VAL 76 Cb 0.46 -2.26 0.04 0.00 0.56 0.00 0.00 36.38 35.18 1i16 s VAL 76 CO 0.07 -0.35 0.38 -1.10 -0.31 0.00 0.00 175.10 173.79 1i16 s GLN 77 N -3.94 0.47 -0.74 4.82 1.11 -1.26 -5.08 119.66 115.03 1i16 s GLN 77 Ca 0.28 0.47 -0.25 0.00 0.01 0.00 0.00 55.36 55.86 1i16 s GLN 77 Cb 0.06 0.23 0.04 0.00 -1.01 0.00 0.00 33.01 32.33 1i16 s GLN 77 CO 0.07 -0.07 1.21 -1.25 0.01 0.00 0.00 175.29 175.26 1i16 s PRO 78 N 0.06 3.21 0.00 2.91 0.04 -1.26 -3.79 135.00 136.17 1i16 s PRO 78 Ca -0.01 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.53 1i16 s PRO 78 Cb -0.03 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1i16 s PRO 78 CO 0.01 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1i16 n GLY 79 N 5.48 0.63 3.66 0.56 0.00 0.72 -4.93 105.19 111.31 1i16 n GLY 79 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1i16 n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i16 n ASP 80 N 0.00 1.24 -3.16 1.61 9.92 -1.25 -4.49 116.55 120.43 1i16 n ASP 80 Ca 0.00 0.81 -0.35 0.00 -0.53 0.00 0.00 54.79 54.72 1i16 n ASP 80 Cb 0.00 -1.45 -0.04 0.00 -0.64 0.00 0.00 41.12 38.99 1i16 n ASP 80 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1i16 n GLU 81 N -1.37 3.77 -1.65 -1.24 2.13 -1.26 -2.88 120.64 118.14 1i16 n GLU 81 Ca 0.15 -2.64 -0.48 0.00 0.66 0.00 0.00 57.16 54.85 1i16 n GLU 81 Cb 0.48 -2.57 -0.05 0.00 0.27 0.00 0.00 31.44 29.57 1i16 n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1i16 n ILE 82 N 2.37 0.55 -0.00 6.31 5.41 -1.21 -3.99 119.36 128.79 1i16 n ILE 82 Ca 0.65 -0.15 -0.21 0.00 1.00 0.00 0.00 62.75 64.04 1i16 n ILE 82 Cb 0.34 -1.95 -0.14 0.00 -0.71 0.00 0.00 39.64 37.18 1i16 n ILE 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1i16 h LEU 83 N 10.14 0.33 -9.06 1.39 4.07 -1.70 -3.43 115.31 117.04 1i16 h LEU 83 Ca -0.46 -0.85 -0.56 0.00 0.08 0.00 0.00 57.88 56.09 1i16 h LEU 83 Cb 1.27 -0.11 -0.15 0.00 1.08 0.00 0.00 40.66 42.75 1i16 h LEU 83 CO 0.96 1.52 -0.76 -1.58 -1.08 0.00 0.00 178.44 177.50 1i16 s GLN 84 N -2.44 1.52 0.09 1.13 0.74 -1.26 0.20 119.66 119.64 1i16 s GLN 84 Ca -0.20 -1.65 0.00 0.00 0.05 0.00 0.00 55.36 53.56 1i16 s GLN 84 Cb 0.03 -1.54 -0.00 0.00 1.10 0.00 0.00 33.01 32.60 1i16 s GLN 84 CO 0.75 0.29 0.00 -0.11 -0.55 0.00 0.00 175.29 175.68 1i16 n LEU 85 N -0.36 0.00 0.20 3.68 -0.00 0.42 -3.17 117.00 117.76 1i16 n LEU 85 Ca -0.07 -0.60 0.16 0.00 -0.00 0.00 0.00 56.01 55.50 1i16 n LEU 85 Cb 0.59 0.08 0.66 0.00 -0.00 0.00 0.00 43.42 44.75 1i16 n LEU 85 CO 0.35 -0.09 1.14 1.23 -0.00 0.00 0.00 177.39 180.03 1i16 h GLY 86 N 0.24 0.00 -4.98 -3.96 0.00 -1.57 -3.20 103.07 89.61 1i16 h GLY 86 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1i16 h GLY 86 CO 0.13 0.00 -0.15 0.61 0.00 0.00 0.00 176.54 177.12 1i16 n GLY 87 N -1.39 0.60 3.64 4.60 0.00 -1.26 -4.62 105.19 106.76 1i16 n GLY 87 Ca 0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1i16 n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i16 s THR 88 N 0.14 0.00 -0.37 2.61 -1.32 -1.21 -4.48 115.64 111.01 1i16 s THR 88 Ca 0.15 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1i16 s THR 88 Cb 0.28 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.33 1i16 s THR 88 CO -0.06 0.00 0.16 0.00 -2.21 0.00 0.00 174.62 172.51 1i16 s ALA 89 N 0.32 3.13 0.09 11.08 0.00 -1.26 0.16 121.76 135.27 1i16 s ALA 89 Ca 0.02 -2.00 -0.30 0.00 0.00 0.00 0.00 51.96 49.68 1i16 s ALA 89 Cb -0.05 -2.39 -0.12 0.00 0.00 0.00 0.00 23.12 20.55 1i16 s ALA 89 CO -0.04 -1.51 1.48 0.52 0.00 0.00 0.00 175.76 176.20 1i16 h MET 90 N 8.24 -0.58 -1.71 0.00 2.86 0.20 -1.79 114.93 122.15 1i16 h MET 90 Ca -0.21 0.04 0.50 0.00 -2.06 0.00 0.00 59.70 57.96 1i16 h MET 90 Cb 1.08 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.80 1i16 h MET 90 CO 0.66 -0.38 1.35 1.96 1.06 0.00 0.00 176.91 181.56 1i16 h GLN 91 N -0.60 0.00 -1.58 1.72 4.20 -1.85 1.02 115.11 118.02 1i16 h GLN 91 Ca 0.01 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.06 1i16 h GLN 91 Cb 0.63 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.05 1i16 h GLN 91 CO -0.30 0.00 0.01 0.41 -0.67 0.00 0.00 178.83 178.28 1i16 n GLY 92 N -1.87 5.87 3.48 3.46 0.00 -0.68 -4.96 105.19 110.50 1i16 n GLY 92 Ca 0.38 -2.63 -0.15 0.00 0.00 0.00 0.00 46.02 43.63 1i16 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i16 s LEU 93 N -3.76 -0.30 1.15 0.99 2.01 0.35 -4.89 118.68 114.23 1i16 s LEU 93 Ca 0.51 0.91 -0.18 0.00 0.01 0.00 0.00 54.13 55.38 1i16 s LEU 93 Cb 0.42 2.15 0.26 0.00 0.01 0.00 0.00 46.19 49.04 1i16 s LEU 93 CO -0.24 -0.38 1.15 -0.89 1.01 0.00 0.00 176.35 177.00 1i16 s THR 94 N -0.41 1.69 0.00 5.49 2.01 -1.26 -4.71 115.64 118.46 1i16 s THR 94 Ca -0.06 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 61.70 1i16 s THR 94 Cb -0.03 -2.58 -0.15 0.00 0.01 0.00 0.00 72.50 69.75 1i16 s THR 94 CO 0.04 0.00 1.08 -0.09 -0.69 0.00 0.00 174.62 174.97 1i16 h ARG 95 N -2.37 -0.64 -0.04 4.92 9.65 -1.95 -0.92 114.38 123.03 1i16 h ARG 95 Ca -0.45 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.45 1i16 h ARG 95 Cb 1.29 0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1i16 h ARG 95 CO 0.36 -0.34 -0.06 0.74 2.80 0.00 0.00 179.97 183.48 1i16 h PHE 96 N -1.03 0.14 -0.70 2.20 0.04 -1.93 -2.95 116.94 112.71 1i16 h PHE 96 Ca -0.07 -0.05 0.20 0.00 2.80 0.00 0.00 57.97 60.86 1i16 h PHE 96 Cb 0.59 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1i16 h PHE 96 CO 0.01 0.61 0.54 0.93 -0.60 0.00 0.00 178.31 179.80 1i16 h GLU 97 N -0.37 0.00 0.47 1.51 4.39 -1.94 -2.62 114.58 116.02 1i16 h GLU 97 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1i16 h GLU 97 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1i16 h GLU 97 CO 0.01 0.00 -0.23 0.00 -1.16 0.00 0.00 179.01 177.64 1i16 h ALA 98 N 1.58 -0.83 0.00 3.43 0.00 -0.98 -3.00 119.26 119.46 1i16 h ALA 98 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i16 h ALA 98 Cb 1.40 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1i16 h ALA 98 CO -0.00 -0.78 0.19 1.87 0.00 0.00 0.00 179.25 180.52 1i16 n TRP 99 N -4.36 0.39 -0.05 0.00 -0.00 -1.00 -2.07 117.44 110.36 1i16 n TRP 99 Ca -0.08 0.20 -0.16 0.00 -0.00 0.00 0.00 57.50 57.46 1i16 n TRP 99 Cb 0.25 -0.69 -0.13 0.00 -0.00 0.00 0.00 31.31 30.74 1i16 n TRP 99 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1i16 h ASN 100 N 0.00 0.11 -0.97 5.87 2.35 -1.38 -3.19 115.58 118.37 1i16 h ASN 100 Ca 0.00 -0.93 0.17 0.00 -0.55 0.00 0.00 56.30 54.99 1i16 h ASN 100 Cb 0.38 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.61 1i16 h ASN 100 CO 0.00 1.16 0.57 0.40 -1.65 0.00 0.00 177.43 177.91 1i16 h ILE 101 N -0.84 0.73 0.30 2.81 5.03 -1.37 -2.15 117.51 122.01 1i16 h ILE 101 Ca -0.08 -0.26 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 1i16 h ILE 101 Cb 1.20 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.90 1i16 h ILE 101 CO 0.01 0.14 -0.15 0.40 -0.68 0.00 0.00 178.15 177.87 1i16 h ILE 102 N 0.75 0.00 -1.51 -0.67 5.03 -1.67 -2.34 117.51 117.11 1i16 h ILE 102 Ca 0.54 -0.01 0.44 0.00 -0.12 0.00 0.00 64.86 65.71 1i16 h ILE 102 Cb 0.80 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.53 1i16 h ILE 102 CO -0.37 0.00 1.27 0.11 -0.68 0.00 0.00 178.15 178.48 1i16 h LYS 103 N -0.42 0.00 -0.08 2.37 1.79 -1.45 2.43 116.57 121.21 1i16 h LYS 103 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1i16 h LYS 103 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1i16 h LYS 103 CO 0.07 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.44 1i16 n ALA 104 N -2.64 2.57 -1.95 3.86 0.00 -0.84 -4.88 120.51 116.62 1i16 n ALA 104 Ca 0.34 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1i16 n ALA 104 Cb 1.73 -1.20 0.20 0.00 0.00 0.00 0.00 19.45 20.18 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1i16 s LEU 105 N -1.60 2.79 0.83 0.00 2.34 0.82 -5.07 118.68 118.79 1i16 s LEU 105 Ca 0.31 0.07 -0.12 0.00 0.06 0.00 0.00 54.13 54.45 1i16 s LEU 105 Cb 0.15 -2.03 0.09 0.00 -0.56 0.00 0.00 46.19 43.84 1i16 s LEU 105 CO 0.24 -2.84 1.17 -2.16 -1.06 0.00 0.00 176.35 171.71 1i16 s PRO 106 N -5.89 1.79 -0.92 1.48 0.04 -1.26 -5.00 135.00 125.24 1i16 s PRO 106 Ca 0.76 0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.81 1i16 s PRO 106 Cb -0.02 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.79 1i16 s PRO 106 CO 0.53 -1.73 0.95 -0.51 0.04 0.00 0.00 177.00 176.28 1i16 s ASP 107 N -4.45 6.83 0.00 6.66 1.01 -1.26 -4.82 116.67 120.64 1i16 s ASP 107 Ca 0.62 -2.67 0.00 0.00 0.71 0.00 0.00 52.55 51.21 1i16 s ASP 107 Cb -0.12 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1i16 s ASP 107 CO 0.50 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.82 1i16 n GLY 108 N 4.19 3.76 3.52 0.21 0.00 -1.25 -4.87 105.19 110.75 1i16 n GLY 108 Ca 0.19 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 4.80 3.18 -0.29 1.61 0.04 -1.26 -0.22 135.00 142.86 1i16 s PRO 109 Ca 0.00 -0.42 -0.21 0.00 0.04 0.00 0.00 61.00 60.41 1i16 s PRO 109 Cb 0.00 -4.22 -0.01 0.00 0.04 0.00 0.00 34.50 30.31 1i16 s PRO 109 CO 0.00 -2.06 0.69 0.54 0.04 0.00 0.00 177.00 176.21 1i16 s VAL 110 N 5.28 4.90 -0.14 -0.36 0.11 -1.26 -4.87 120.40 124.06 1i16 s VAL 110 Ca 0.32 1.07 -0.20 0.00 -2.93 0.00 0.00 61.98 60.24 1i16 s VAL 110 Cb -0.10 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.68 1i16 s VAL 110 CO 0.13 -0.12 0.59 -0.89 -3.33 0.00 0.00 175.10 171.48 1i16 s THR 111 N 2.70 5.09 0.16 5.04 2.01 -1.26 0.20 115.64 129.58 1i16 s THR 111 Ca 0.28 1.16 0.06 0.00 0.31 0.00 0.00 61.69 63.50 1i16 s THR 111 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1i16 s THR 111 CO 0.11 0.23 0.04 0.27 -0.69 0.00 0.00 174.62 174.58 1i16 s ILE 112 N 1.15 3.98 -0.34 1.82 -4.36 0.62 -1.62 121.20 122.44 1i16 s ILE 112 Ca 0.30 -1.28 -0.01 0.00 -0.26 0.00 0.00 60.65 59.40 1i16 s ILE 112 Cb -0.16 -3.00 0.11 0.00 1.25 0.00 0.00 42.46 40.66 1i16 s ILE 112 CO 0.12 -0.09 0.15 -0.69 0.24 0.00 0.00 174.94 174.68 1i16 s VAL 113 N -1.70 0.70 -0.10 8.37 1.01 -1.19 -1.39 120.40 126.10 1i16 s VAL 113 Ca 0.28 -1.58 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 1i16 s VAL 113 Cb -0.10 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1i16 s VAL 113 CO 0.20 -0.79 0.31 0.27 0.00 0.00 0.00 175.10 175.09 1i16 s ILE 114 N 1.34 5.25 -0.32 2.22 -5.25 -1.22 -2.08 121.20 121.14 1i16 s ILE 114 Ca 0.13 0.59 -0.01 0.00 -0.99 0.00 0.00 60.65 60.37 1i16 s ILE 114 Cb -0.20 -3.62 0.11 0.00 2.95 0.00 0.00 42.46 41.70 1i16 s ILE 114 CO -0.17 0.49 0.13 -0.60 -1.79 0.00 0.00 174.94 172.99 1i16 s ARG 115 N -0.27 0.69 0.23 0.37 3.52 -1.26 -0.03 118.95 122.21 1i16 s ARG 115 Ca 0.19 -1.12 -0.11 0.00 -0.13 0.00 0.00 55.73 54.55 1i16 s ARG 115 Cb -0.14 -1.87 -0.07 0.00 -1.56 0.00 0.00 34.95 31.31 1i16 s ARG 115 CO 0.07 -1.03 0.58 -0.98 -0.81 0.00 0.00 175.30 173.14 1i16 s ARG 116 N 1.50 3.87 -0.07 5.12 1.04 0.52 -4.28 118.95 126.65 1i16 s ARG 116 Ca 0.11 0.38 -0.01 0.00 -1.04 0.00 0.00 55.73 55.17 1i16 s ARG 116 Cb -0.18 -2.65 0.03 0.00 -2.04 0.00 0.00 34.95 30.10 1i16 s ARG 116 CO -0.22 0.31 0.00 0.15 -0.04 0.00 0.00 175.30 175.50 1i16 s LYS 117 N -2.72 0.57 0.08 3.89 3.01 -1.26 0.06 119.74 123.38 1i16 s LYS 117 Ca 0.47 0.12 0.00 0.00 -1.01 0.00 0.00 55.97 55.55 1i16 s LYS 117 Cb -0.12 -0.93 0.00 0.00 -1.01 0.00 0.00 37.83 35.78 1i16 s LYS 117 CO 0.20 -0.29 0.00 0.45 0.51 0.00 0.00 175.35 176.22 1i16 n SER 118 N 5.10 -1.98 -4.79 2.83 2.88 -1.26 -4.93 113.62 111.47 1i16 n SER 118 Ca -0.08 0.15 -0.23 0.00 -1.33 0.00 0.00 58.87 57.38 1i16 n SER 118 Cb 0.50 -1.02 0.08 0.00 -0.75 0.00 0.00 64.21 63.02 1i16 n SER 118 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1i16 s LEU 119 N -3.65 3.04 0.00 2.46 2.34 -1.26 -4.96 118.68 116.65 1i16 s LEU 119 Ca 0.00 -0.12 0.09 0.00 0.06 0.00 0.00 54.13 54.16 1i16 s LEU 119 Cb 0.00 -2.43 0.34 0.00 -0.56 0.00 0.00 46.19 43.54 1i16 s LEU 119 CO 0.00 -1.62 1.25 0.00 -1.06 0.00 0.00 176.35 174.91 1i16 n GLN 120 N -2.72 1.39 -3.38 1.48 1.13 -1.26 -4.87 117.38 109.16 1i16 n GLN 120 Ca 0.12 -0.61 -0.24 0.00 -1.94 0.00 0.00 57.00 54.33 1i16 n GLN 120 Cb 0.60 -1.18 0.02 0.00 0.11 0.00 0.00 30.24 29.78 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1i16 n SER 121 N -0.05 -4.70 0.00 1.08 7.64 -1.26 -3.57 113.62 112.77 1i16 n SER 121 Ca 0.08 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1i16 n SER 121 Cb 0.16 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 1i16 n SER 121 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i16 n LYS 122 N -4.03 0.00 -4.12 1.43 4.81 -1.26 -4.68 118.16 110.31 1i16 n LYS 122 Ca -0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.32 1i16 n LYS 122 Cb 0.56 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.51 1i16 n LYS 122 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1i16 s GLU 123 N 0.00 0.70 -0.35 1.64 -1.05 -1.23 -5.08 118.70 113.33 1i16 s GLU 123 Ca 0.00 -1.24 0.15 0.00 -0.15 0.00 0.00 54.97 53.73 1i16 s GLU 123 Cb 0.00 0.01 0.44 0.00 -0.44 0.00 0.00 34.13 34.13 1i16 s GLU 123 CO 0.00 -0.06 0.93 0.25 0.95 0.00 0.00 175.26 177.33 1i16 n THR 124 N 0.12 1.02 0.00 1.83 -2.24 -1.26 -5.10 114.28 108.65 1i16 n THR 124 Ca -0.14 -3.56 0.00 0.00 -2.27 0.00 0.00 64.05 58.08 1i16 n THR 124 Cb 0.61 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1i16 n THR 124 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i16 n THR 125 N -0.06 0.00 -1.17 4.28 -2.24 -1.26 -4.89 114.28 108.93 1i16 n THR 125 Ca 0.15 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 1i16 n THR 125 Cb 0.77 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 n ALA 126 N -3.00 -2.39 -1.93 6.98 0.00 -1.26 -4.59 120.51 114.32 1i16 n ALA 126 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.75 1i16 n ALA 126 Cb 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 19.45 18.76 1i16 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 127 N -1.77 3.44 -3.65 0.00 0.00 -1.26 -4.97 120.51 112.31 1i16 n ALA 127 Ca 0.01 -3.10 -0.39 0.00 0.00 0.00 0.00 53.44 49.96 1i16 n ALA 127 Cb 0.42 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.31 1i16 n ALA 127 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i16 s GLY 128 N -3.00 2.04 0.00 0.00 0.00 -1.26 -5.01 107.32 100.09 1i16 s GLY 128 Ca 0.38 -2.56 0.00 0.00 0.00 0.00 0.00 44.72 42.54 1i16 s GLY 128 CO -0.08 1.08 0.00 1.22 0.00 0.00 0.00 173.10 175.32 1i16 n ASP 129 N 4.74 -0.02 0.00 1.64 9.92 -1.26 -5.11 116.55 126.46 1i16 n ASP 129 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1i16 n ASP 129 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1i16 n ASP 129 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79