#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 s PRO 2 N 0.00 4.08 0.00 0.03 0.04 -1.26 -4.87 135.00 133.02 1i16 s PRO 2 Ca 0.00 1.21 0.03 0.00 0.04 0.00 0.00 61.00 62.28 1i16 s PRO 2 Cb 0.00 -3.76 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 1i16 s PRO 2 CO 0.00 -0.89 0.32 -3.47 0.04 0.00 0.00 177.00 173.00 1i16 n ASP 3 N 6.92 0.60 -0.14 6.66 2.03 -1.26 -5.07 116.55 126.30 1i16 n ASP 3 Ca 0.13 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.64 1i16 n ASP 3 Cb 0.47 0.59 0.00 0.00 -0.72 0.00 0.00 41.12 41.45 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 -0.55 0.00 -0.18 -2.67 7.94 -1.26 -4.97 117.00 115.31 1i16 n LEU 4 Ca 0.01 0.00 0.30 0.00 -1.11 0.00 0.00 56.01 55.21 1i16 n LEU 4 Cb 0.06 0.00 0.67 0.00 0.53 0.00 0.00 43.42 44.68 1i16 n LEU 4 CO 0.04 0.00 1.27 -0.55 -1.11 0.00 0.00 177.39 177.04 1i16 h ASN 5 N 0.00 0.00 -1.02 1.96 7.08 -2.03 -3.44 115.58 118.14 1i16 h ASN 5 Ca 0.00 0.00 0.10 0.00 -3.08 0.00 0.00 56.30 53.32 1i16 h ASN 5 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 1i16 h ASN 5 CO 0.00 0.00 0.29 -1.54 -2.08 0.00 0.00 177.43 174.10 1i16 n SER 6 N -3.76 -0.50 -1.10 6.14 3.41 -1.26 -5.08 113.62 111.48 1i16 n SER 6 Ca 0.20 -1.17 -0.01 0.00 -0.26 0.00 0.00 58.87 57.63 1i16 n SER 6 Cb 1.16 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.91 1i16 n SER 6 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1i16 n SER 7 N -0.61 -0.28 -4.02 4.04 2.88 -1.26 -4.58 113.62 109.80 1i16 n SER 7 Ca 0.01 -0.80 -0.20 0.00 -1.33 0.00 0.00 58.87 56.55 1i16 n SER 7 Cb 0.21 0.11 -0.15 0.00 -0.75 0.00 0.00 64.21 63.63 1i16 n SER 7 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1i16 s THR 8 N 0.01 0.80 0.00 2.46 2.01 -1.26 -5.07 115.64 114.59 1i16 s THR 8 Ca 0.01 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1i16 s THR 8 Cb 0.04 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1i16 s THR 8 CO -0.01 0.24 0.00 -0.90 -0.69 0.00 0.00 174.62 173.26 1i16 n ASP 9 N 3.12 0.00 -2.23 3.53 5.75 -1.26 -5.17 116.55 120.29 1i16 n ASP 9 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1i16 n ASP 9 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1i16 n ASP 9 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1i16 n SER 10 N 0.00 -0.35 0.01 -1.12 7.64 -1.26 -4.93 113.62 113.60 1i16 n SER 10 Ca 0.00 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 58.99 1i16 n SER 10 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 h ALA 11 N -2.00 -0.80 0.00 -0.43 0.00 -2.02 -3.39 119.26 110.62 1i16 h ALA 11 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1i16 h ALA 11 Cb 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1i16 h ALA 11 CO 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 179.25 178.15 1i16 n ALA 12 N -2.88 2.18 -3.02 0.00 0.00 -1.26 -5.06 120.51 110.48 1i16 n ALA 12 Ca -0.05 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1i16 n ALA 12 Cb 0.29 -0.16 0.02 0.00 0.00 0.00 0.00 19.45 19.59 1i16 n ALA 12 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 13 N 0.02 -7.32 -2.71 0.00 7.64 -1.26 -4.99 113.62 104.99 1i16 n SER 13 Ca -0.03 0.41 -0.07 0.00 1.01 0.00 0.00 58.87 60.20 1i16 n SER 13 Cb 0.58 -4.38 0.09 0.00 -1.01 0.00 0.00 64.21 59.50 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 14 N -0.18 -1.68 -1.40 -0.43 0.00 -1.26 -5.02 120.51 110.55 1i16 n ALA 14 Ca 0.06 -1.08 -0.27 0.00 0.00 0.00 0.00 53.44 52.14 1i16 n ALA 14 Cb 0.49 -1.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 1i16 n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 15 N 0.56 6.87 0.00 0.00 2.88 -1.26 -4.04 113.62 118.64 1i16 n SER 15 Ca 0.02 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1i16 n SER 15 Cb 0.71 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 16 N 2.10 0.00 0.00 -1.46 0.00 -1.26 -5.03 120.51 114.86 1i16 n ALA 16 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1i16 n ALA 16 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 17 N -2.21 0.00 0.00 0.00 0.00 -1.26 -3.85 120.51 113.19 1i16 n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.66 0.00 -4.68 0.00 2.88 -1.26 -5.17 113.62 107.04 1i16 n SER 18 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1i16 n SER 18 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1i16 n SER 18 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1i16 s ASP 19 N 0.00 4.60 -1.25 -3.46 1.11 -1.25 -4.59 116.67 111.82 1i16 s ASP 19 Ca 0.00 -0.70 -0.01 0.00 0.18 0.00 0.00 52.55 52.02 1i16 s ASP 19 Cb 0.00 -0.80 0.00 0.00 1.07 0.00 0.00 42.92 43.19 1i16 s ASP 19 CO 0.00 -0.13 0.07 0.52 1.18 0.00 0.00 175.17 176.81 1i16 n VAL 20 N -1.00 -0.83 -2.60 -1.27 0.31 -1.26 -4.94 118.33 106.73 1i16 n VAL 20 Ca -0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 1i16 n VAL 20 Cb 0.60 -2.36 -0.02 0.00 -0.91 0.00 0.00 33.84 31.14 1i16 n VAL 20 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1i16 s SER 21 N -2.40 7.09 -0.58 4.52 1.04 -1.26 -4.24 113.70 117.87 1i16 s SER 21 Ca 0.04 1.49 -0.27 0.00 0.48 0.00 0.00 55.95 57.69 1i16 s SER 21 Cb -0.02 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.60 1i16 s SER 21 CO 0.04 -0.65 0.65 0.55 0.98 0.00 0.00 173.24 174.81 1i16 n VAL 22 N 5.17 -3.65 -2.95 5.02 3.14 -1.26 -4.82 118.33 118.98 1i16 n VAL 22 Ca 0.12 0.05 -0.44 0.00 -2.96 0.00 0.00 64.34 61.10 1i16 n VAL 22 Cb 0.46 -3.30 -0.03 0.00 -1.06 0.00 0.00 33.84 29.91 1i16 n VAL 22 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1i16 s GLU 23 N -3.29 3.38 0.08 1.45 2.56 -1.26 -4.91 118.70 116.72 1i16 s GLU 23 Ca 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 54.97 53.76 1i16 s GLU 23 Cb -0.03 -4.60 0.00 0.00 2.00 0.00 0.00 34.13 31.50 1i16 s GLU 23 CO 0.89 -1.73 0.00 0.45 -0.56 0.00 0.00 175.26 174.31 1i16 n SER 24 N 6.71 -1.77 -3.68 -1.70 2.88 -1.26 -5.02 113.62 109.77 1i16 n SER 24 Ca 0.11 0.16 -0.14 0.00 -1.33 0.00 0.00 58.87 57.66 1i16 n SER 24 Cb 0.47 -0.93 -0.08 0.00 -0.75 0.00 0.00 64.21 62.93 1i16 n SER 24 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1i16 s THR 25 N -1.72 0.04 0.31 2.46 -4.23 -1.26 -5.17 115.64 106.07 1i16 s THR 25 Ca 0.00 -0.35 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 1i16 s THR 25 Cb 0.00 -0.76 -0.06 0.00 1.34 0.00 0.00 72.50 73.02 1i16 s THR 25 CO 0.00 -0.19 -0.06 0.00 -0.54 0.00 0.00 174.62 173.83 1i16 s ALA 26 N -1.46 2.60 0.00 3.99 0.00 -1.26 -5.10 121.76 120.53 1i16 s ALA 26 Ca -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.84 1i16 s ALA 26 Cb -0.03 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1i16 s ALA 26 CO 0.05 -0.04 0.00 0.39 0.00 0.00 0.00 175.76 176.16 1i16 n GLU 27 N -0.68 0.00 -3.64 0.00 1.02 -1.26 -5.13 120.64 110.95 1i16 n GLU 27 Ca -0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.06 1i16 n GLU 27 Cb 0.64 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 32.00 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 s ALA 28 N 0.00 -2.14 0.05 0.62 0.00 -1.26 -4.43 121.76 114.60 1i16 s ALA 28 Ca 0.00 1.78 0.07 0.00 0.00 0.00 0.00 51.96 53.81 1i16 s ALA 28 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 1i16 s ALA 28 CO 0.00 -0.19 -0.14 0.95 0.00 0.00 0.00 175.76 176.38 1i16 s THR 29 N -0.56 3.07 0.14 0.00 -4.23 -0.82 -4.94 115.64 108.30 1i16 s THR 29 Ca 0.07 -1.15 0.10 0.00 -1.18 0.00 0.00 61.69 59.53 1i16 s THR 29 Cb -0.03 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1i16 s THR 29 CO -0.10 0.28 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.36 1i16 s VAL 30 N -1.02 2.62 -0.36 2.29 1.01 -1.26 -0.54 120.40 123.14 1i16 s VAL 30 Ca 0.17 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.47 1i16 s VAL 30 Cb -0.11 -2.21 0.15 0.00 0.00 0.00 0.00 36.38 34.21 1i16 s VAL 30 CO 0.08 0.03 0.27 0.00 0.00 0.00 0.00 175.10 175.48 1i16 s THR 32 N 1.07 3.29 0.04 0.00 2.01 -1.26 -3.39 115.64 117.40 1i16 s THR 32 Ca 0.19 0.93 -0.02 0.00 0.31 0.00 0.00 61.69 63.10 1i16 s THR 32 Cb -0.18 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 1i16 s THR 32 CO -0.02 0.07 0.00 0.68 -0.69 0.00 0.00 174.62 174.66 1i16 s VAL 33 N 1.11 0.16 -0.12 3.82 -7.23 -0.15 -4.95 120.40 113.04 1i16 s VAL 33 Ca 0.65 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1i16 s VAL 33 Cb -0.37 -0.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 1i16 s VAL 33 CO 0.30 -0.71 -0.05 0.42 -0.31 0.00 0.00 175.10 174.75 1i16 s THR 34 N -2.63 3.78 -0.78 5.32 -4.23 -1.26 0.25 115.64 116.10 1i16 s THR 34 Ca -0.05 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 1i16 s THR 34 Cb -0.01 -2.60 0.31 0.00 1.34 0.00 0.00 72.50 71.53 1i16 s THR 34 CO -0.05 0.54 1.19 0.18 -0.54 0.00 0.00 174.62 175.94 1i16 n LEU 35 N 2.93 5.29 -0.07 4.79 7.99 0.50 -4.40 117.00 134.03 1i16 n LEU 35 Ca -0.18 -5.49 -0.01 0.00 -0.01 0.00 0.00 56.01 50.33 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 2.11 0.03 -0.62 -1.51 0.00 0.00 177.39 177.71 1i16 n GLU 36 N 0.30 0.00 -3.27 3.23 1.02 -1.26 -4.31 120.64 116.36 1i16 n GLU 36 Ca 0.34 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 57.09 1i16 n GLU 36 Cb 0.36 -0.02 -0.06 0.00 -0.02 0.00 0.00 31.44 31.70 1i16 n GLU 36 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1i16 s LYS 37 N 0.14 4.31 -0.45 3.49 2.47 0.01 -4.82 119.74 124.89 1i16 s LYS 37 Ca 0.02 0.58 0.05 0.00 -1.56 0.00 0.00 55.97 55.06 1i16 s LYS 37 Cb -0.02 -3.39 0.20 0.00 -1.46 0.00 0.00 37.83 33.16 1i16 s LYS 37 CO 0.01 0.25 0.43 -1.33 0.16 0.00 0.00 175.35 174.87 1i16 n MET 38 N 3.25 0.62 -3.40 4.03 2.81 -1.26 -2.73 117.12 120.44 1i16 n MET 38 Ca -0.07 -3.39 -0.17 0.00 -1.81 0.00 0.00 57.70 52.26 1i16 n MET 38 Cb 0.51 -1.63 0.08 0.00 -0.71 0.00 0.00 33.22 31.48 1i16 n MET 38 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i16 n SER 39 N 2.24 -3.34 0.12 7.83 2.88 -1.26 -4.87 113.62 117.21 1i16 n SER 39 Ca 0.26 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1i16 n SER 39 Cb 0.48 -5.06 0.00 0.00 -0.75 0.00 0.00 64.21 58.88 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 40 N -3.88 1.76 0.00 -1.46 0.00 -1.26 -5.09 120.51 110.58 1i16 n ALA 40 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1i16 n ALA 40 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.26 0.32 3.18 0.00 0.00 -1.26 -4.76 105.19 102.94 1i16 n GLY 41 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.76 0.00 0.99 4.77 -1.26 -2.08 117.00 120.18 1i16 n LEU 42 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1i16 n LEU 42 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1i16 n LEU 42 CO 0.00 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.12 1i16 n GLY 43 N -0.37 0.69 3.53 -0.72 0.00 -1.26 -4.89 105.19 102.17 1i16 n GLY 43 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.30 1.87 0.06 1.61 -0.12 -0.88 0.26 117.98 118.48 1i16 s PHE 44 Ca 0.00 -1.13 0.06 0.00 -0.05 0.00 0.00 56.93 55.81 1i16 s PHE 44 Cb 0.00 -1.27 -0.03 0.00 -0.63 0.00 0.00 43.02 41.09 1i16 s PHE 44 CO 0.00 -0.12 -0.16 0.45 -0.05 0.00 0.00 175.22 175.34 1i16 s SER 45 N -3.61 1.90 -0.08 1.98 0.15 0.13 -4.92 113.70 109.26 1i16 s SER 45 Ca 0.25 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1i16 s SER 45 Cb 0.04 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.23 1i16 s SER 45 CO 0.13 0.01 -0.07 -0.22 1.20 0.00 0.00 173.24 174.29 1i16 s LEU 46 N -1.53 3.16 0.19 3.45 2.96 -1.26 -2.12 118.68 123.54 1i16 s LEU 46 Ca 0.02 -0.04 0.10 0.00 -0.22 0.00 0.00 54.13 53.99 1i16 s LEU 46 Cb -0.09 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1i16 s LEU 46 CO 0.02 0.34 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.58 1i16 s GLU 47 N -0.69 1.41 -0.20 1.98 2.02 0.21 -4.62 118.70 118.82 1i16 s GLU 47 Ca 0.10 -1.51 -0.08 0.00 0.02 0.00 0.00 54.97 53.50 1i16 s GLU 47 Cb -0.11 -1.54 0.08 0.00 0.10 0.00 0.00 34.13 32.66 1i16 s GLU 47 CO 0.02 0.31 0.46 0.20 0.02 0.00 0.00 175.26 176.26 1i16 s GLY 48 N -2.83 -0.40 -1.12 -1.39 0.00 -1.26 0.98 107.32 101.29 1i16 s GLY 48 Ca 0.20 1.65 -0.06 0.00 0.00 0.00 0.00 44.72 46.51 1i16 s GLY 48 CO 0.09 2.27 2.66 0.61 0.00 0.00 0.00 173.10 178.74 1i16 n GLY 49 N 5.02 4.71 3.59 0.20 0.00 -1.26 -3.93 105.19 113.51 1i16 n GLY 49 Ca -0.14 -1.85 -0.60 0.00 0.00 0.00 0.00 46.02 43.43 1i16 n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i16 n LYS 50 N 1.98 0.58 -3.87 1.61 0.00 -1.26 -0.92 118.16 116.27 1i16 n LYS 50 Ca 0.62 0.20 -0.37 0.00 0.00 0.00 0.00 58.31 58.75 1i16 n LYS 50 Cb 0.35 -1.86 0.02 0.00 0.00 0.00 0.00 35.03 33.54 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i16 n GLY 51 N 5.19 -0.98 1.54 3.14 0.00 -1.26 -4.82 105.19 108.00 1i16 n GLY 51 Ca 0.36 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.87 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 -2.37 4.56 -4.12 1.61 7.64 -0.09 -4.91 113.62 115.93 1i16 n SER 52 Ca -0.13 -2.62 -0.29 0.00 1.01 0.00 0.00 58.87 56.83 1i16 n SER 52 Cb 0.59 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.64 -1.70 0.00 -3.43 4.32 -1.26 -4.79 117.00 110.78 1i16 n LEU 53 Ca 0.22 -1.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.10 1i16 n LEU 53 Cb 0.93 -1.97 0.00 0.00 -1.62 0.00 0.00 43.42 40.76 1i16 n LEU 53 CO 0.24 0.42 -0.18 1.57 -1.22 0.00 0.00 177.39 178.22 1i16 n HIS 54 N -4.45 0.00 0.00 -1.77 -0.00 -1.26 -5.05 115.22 102.68 1i16 n HIS 54 Ca -0.27 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.91 1i16 n HIS 54 Cb 0.67 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.54 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1i16 n GLY 55 N 1.19 -0.14 0.19 1.57 0.00 -1.26 -5.12 105.19 101.62 1i16 n GLY 55 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1i16 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i16 n ASP 56 N 0.00 -1.12 -3.97 1.61 8.00 -1.26 -4.76 116.55 115.05 1i16 n ASP 56 Ca 0.00 0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.33 1i16 n ASP 56 Cb 0.00 -0.61 -0.12 0.00 -0.02 0.00 0.00 41.12 40.37 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1i16 s LYS 57 N -2.20 2.31 -1.35 -1.24 0.00 -1.26 -4.69 119.74 111.30 1i16 s LYS 57 Ca 0.00 -2.89 -0.17 0.00 0.00 0.00 0.00 55.97 52.91 1i16 s LYS 57 Cb 0.00 -3.46 0.05 0.00 0.00 0.00 0.00 37.83 34.43 1i16 s LYS 57 CO 0.00 -1.18 1.93 -0.35 0.00 0.00 0.00 175.35 175.74 1i16 n PRO 58 N 2.74 3.01 -1.60 1.78 -0.04 -1.26 -4.72 135.00 134.91 1i16 n PRO 58 Ca 0.11 -2.99 -0.55 0.00 -0.04 0.00 0.00 63.50 60.03 1i16 n PRO 58 Cb 0.34 -3.42 -0.07 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 7.66 1.38 -4.04 1.53 4.32 -1.26 -4.75 117.00 121.84 1i16 n LEU 59 Ca 0.50 1.13 -0.08 0.00 -0.02 0.00 0.00 56.01 57.54 1i16 n LEU 59 Cb 0.43 -1.10 -0.10 0.00 -1.62 0.00 0.00 43.42 41.03 1i16 n LEU 59 CO 0.82 -1.12 -0.32 0.42 -1.22 0.00 0.00 177.39 175.97 1i16 s THR 60 N 1.04 0.19 -0.01 -5.08 -4.23 0.27 -3.37 115.64 104.46 1i16 s THR 60 Ca 0.89 -1.59 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 1i16 s THR 60 Cb -1.08 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 1i16 s THR 60 CO 0.54 -0.88 1.35 -0.63 -0.54 0.00 0.00 174.62 174.46 1i16 s ILE 61 N -3.53 3.84 -0.18 2.99 1.01 -1.16 0.67 121.20 124.83 1i16 s ILE 61 Ca 0.03 1.22 0.01 0.00 0.00 0.00 0.00 60.65 61.91 1i16 s ILE 61 Cb 0.05 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 1i16 s ILE 61 CO -0.09 0.00 -0.16 0.59 0.00 0.00 0.00 174.94 175.29 1i16 n ASN 62 N 5.24 2.56 -4.04 3.58 4.13 -0.90 -0.33 115.26 125.50 1i16 n ASN 62 Ca 0.12 -0.08 -0.31 0.00 1.68 0.00 0.00 54.58 55.99 1i16 n ASN 62 Cb 0.44 -0.29 -0.15 0.00 -1.54 0.00 0.00 39.78 38.24 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1i16 s ARG 63 N -2.36 1.71 -0.06 3.52 0.52 -1.25 -4.81 118.95 116.23 1i16 s ARG 63 Ca -0.24 -1.72 -0.06 0.00 -0.52 0.00 0.00 55.73 53.19 1i16 s ARG 63 Cb 0.06 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1i16 s ARG 63 CO 0.41 -0.83 0.18 0.42 0.02 0.00 0.00 175.30 175.50 1i16 s ILE 64 N 0.96 5.44 0.29 1.52 1.01 -1.26 -0.69 121.20 128.46 1i16 s ILE 64 Ca 0.05 0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.87 1i16 s ILE 64 Cb -0.19 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1i16 s ILE 64 CO -0.07 0.47 0.05 -0.36 0.00 0.00 0.00 174.94 175.02 1i16 s PHE 65 N -1.18 2.72 0.26 3.97 0.08 0.72 -4.95 117.98 119.60 1i16 s PHE 65 Ca 0.22 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 1i16 s PHE 65 Cb -0.13 -1.33 -0.10 0.00 -0.57 0.00 0.00 43.02 40.90 1i16 s PHE 65 CO 0.12 0.54 1.37 0.21 -0.10 0.00 0.00 175.22 177.35 1i16 s LYS 66 N -3.73 4.33 0.00 0.44 2.20 -1.26 -4.73 119.74 116.99 1i16 s LYS 66 Ca 0.33 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1i16 s LYS 66 Cb -0.05 -3.12 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1i16 s LYS 66 CO 0.21 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1i16 n GLY 67 N 1.80 4.07 0.91 5.54 0.00 -1.26 -4.94 105.19 111.31 1i16 n GLY 67 Ca 0.04 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.98 2.95 -0.12 4.61 0.00 -1.26 -5.08 120.51 118.63 1i16 n ALA 68 Ca -0.00 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.26 1i16 n ALA 68 Cb 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.35 0.00 -0.63 0.00 0.00 -1.26 -4.91 120.51 113.35 1i16 n ALA 69 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1i16 n ALA 69 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -3.88 0.00 0.00 0.00 7.64 -1.26 -4.79 113.62 111.34 1i16 n SER 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1i16 n SER 70 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1i16 n SER 70 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1i16 n GLU 71 N -1.55 0.49 -4.43 1.43 0.28 -1.26 -5.04 120.64 110.55 1i16 n GLU 71 Ca 0.00 -0.58 -0.24 0.00 -0.16 0.00 0.00 57.16 56.17 1i16 n GLU 71 Cb 0.00 -0.63 -0.17 0.00 1.43 0.00 0.00 31.44 32.08 1i16 n GLU 71 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1i16 s GLN 72 N -0.18 1.55 0.40 3.44 0.74 -1.26 -5.11 119.66 119.23 1i16 s GLN 72 Ca 0.00 -0.35 -0.24 0.00 0.05 0.00 0.00 55.36 54.82 1i16 s GLN 72 Cb 0.00 -1.34 -0.11 0.00 1.10 0.00 0.00 33.01 32.65 1i16 s GLN 72 CO 0.00 -0.03 0.91 0.43 -0.55 0.00 0.00 175.29 176.06 1i16 n SER 73 N 3.99 0.81 -3.12 6.67 7.64 -1.26 -3.45 113.62 124.90 1i16 n SER 73 Ca -0.22 1.03 -0.14 0.00 1.01 0.00 0.00 58.87 60.55 1i16 n SER 73 Cb 0.51 -1.29 0.01 0.00 -1.01 0.00 0.00 64.21 62.44 1i16 n SER 73 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1i16 n GLU 74 N 0.31 -0.81 -0.50 1.43 0.28 -1.26 -4.78 120.64 115.31 1i16 n GLU 74 Ca 0.10 0.93 0.01 0.00 -0.16 0.00 0.00 57.16 58.05 1i16 n GLU 74 Cb 0.38 -1.25 0.20 0.00 1.43 0.00 0.00 31.44 32.20 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1i16 n THR 75 N 0.71 1.55 -4.09 3.84 -2.24 -1.22 -4.85 114.28 107.98 1i16 n THR 75 Ca -0.03 -0.77 -0.11 0.00 -2.27 0.00 0.00 64.05 60.87 1i16 n THR 75 Cb 0.53 -0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1i16 s VAL 76 N -1.90 0.49 -0.02 2.28 -7.23 -1.26 -4.73 120.40 108.01 1i16 s VAL 76 Ca 0.29 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1i16 s VAL 76 Cb 0.22 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 36.15 1i16 s VAL 76 CO 0.08 -0.64 -0.04 0.00 -0.31 0.00 0.00 175.10 174.19 1i16 s GLN 77 N -2.60 0.61 -0.27 4.82 0.00 -1.26 -5.11 119.66 115.85 1i16 s GLN 77 Ca -0.02 -0.12 -0.29 0.00 -0.00 0.00 0.00 55.36 54.93 1i16 s GLN 77 Cb -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 33.01 32.37 1i16 s GLN 77 CO -0.03 0.00 1.06 -1.25 0.00 0.00 0.00 175.29 175.08 1i16 s PRO 78 N 0.48 4.16 -0.41 9.60 0.04 -1.26 -3.62 135.00 144.00 1i16 s PRO 78 Ca -0.06 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1i16 s PRO 78 Cb -0.09 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1i16 s PRO 78 CO -0.00 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1i16 n GLY 79 N 3.60 0.38 3.88 0.56 0.00 0.54 -5.00 105.19 109.15 1i16 n GLY 79 Ca 0.12 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1i16 n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 80 N -2.86 6.49 -1.27 1.61 1.11 -1.24 -4.82 116.67 115.70 1i16 s ASP 80 Ca 0.00 1.14 -0.05 0.00 0.18 0.00 0.00 52.55 53.82 1i16 s ASP 80 Cb 0.00 -2.33 0.16 0.00 1.07 0.00 0.00 42.92 41.82 1i16 s ASP 80 CO 0.00 -0.44 2.23 1.21 1.18 0.00 0.00 175.17 179.35 1i16 n GLU 81 N -1.45 4.59 -1.73 8.23 2.13 -1.25 -2.98 120.64 128.18 1i16 n GLU 81 Ca 0.03 -3.66 -0.42 0.00 0.66 0.00 0.00 57.16 53.77 1i16 n GLU 81 Cb 0.54 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.58 1i16 n GLU 81 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1i16 s ILE 82 N -1.43 2.14 -0.07 6.31 1.01 -1.22 -3.98 121.20 123.97 1i16 s ILE 82 Ca 0.50 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 61.05 1i16 s ILE 82 Cb 0.17 -3.02 -0.29 0.00 0.01 0.00 0.00 42.46 39.33 1i16 s ILE 82 CO -0.08 0.00 0.61 -0.07 0.00 0.00 0.00 174.94 175.40 1i16 h LEU 83 N 7.21 0.53 -7.84 2.97 3.38 -1.80 -3.44 115.31 116.32 1i16 h LEU 83 Ca -0.44 -0.91 -0.18 0.00 0.09 0.00 0.00 57.88 56.44 1i16 h LEU 83 Cb 1.20 -0.17 -0.23 0.00 0.09 0.00 0.00 40.66 41.55 1i16 h LEU 83 CO 0.96 1.74 -0.65 0.00 0.09 0.00 0.00 178.44 180.57 1i16 s GLN 84 N -2.54 0.26 0.43 1.13 -2.07 -1.26 -0.44 119.66 115.16 1i16 s GLN 84 Ca -0.18 -0.35 0.08 0.00 -1.82 0.00 0.00 55.36 53.09 1i16 s GLN 84 Cb 0.05 0.10 -0.01 0.00 -1.09 0.00 0.00 33.01 32.06 1i16 s GLN 84 CO 0.82 -0.05 0.40 -0.51 -1.32 0.00 0.00 175.29 174.63 1i16 s LEU 85 N -0.96 3.34 0.53 2.60 1.02 0.59 -2.84 118.68 122.96 1i16 s LEU 85 Ca -0.11 -0.78 0.31 0.00 0.02 0.00 0.00 54.13 53.58 1i16 s LEU 85 Cb -0.06 -1.99 1.07 0.00 0.02 0.00 0.00 46.19 45.22 1i16 s LEU 85 CO -0.00 -0.72 1.24 0.61 0.02 0.00 0.00 176.35 177.51 1i16 n GLY 86 N -1.60 -0.75 2.65 -3.19 0.00 0.66 -1.69 105.19 101.27 1i16 n GLY 86 Ca 0.04 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 1i16 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 87 N -1.69 1.53 3.65 -0.02 0.00 -1.26 -4.48 105.19 102.91 1i16 n GLY 87 Ca 0.28 -0.81 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.66 0.00 -0.23 2.61 -1.32 -0.68 -4.10 115.64 110.27 1i16 s THR 88 Ca 0.26 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.75 1i16 s THR 88 Cb 0.42 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.47 1i16 s THR 88 CO -0.02 0.00 -0.09 0.00 -2.21 0.00 0.00 174.62 172.30 1i16 s ALA 89 N -0.36 2.17 -1.93 11.08 0.00 -1.26 0.22 121.76 131.67 1i16 s ALA 89 Ca 0.08 -1.43 0.20 0.00 0.00 0.00 0.00 51.96 50.82 1i16 s ALA 89 Cb -0.04 -1.43 1.20 0.00 0.00 0.00 0.00 23.12 22.86 1i16 s ALA 89 CO -0.13 -1.06 1.61 0.00 0.00 0.00 0.00 175.76 176.18 1i16 n MET 90 N 4.60 0.60 -1.89 0.00 0.00 0.41 -4.71 117.12 116.14 1i16 n MET 90 Ca -0.14 0.01 -0.37 0.00 0.00 0.00 0.00 57.70 57.21 1i16 n MET 90 Cb 0.44 -1.50 0.05 0.00 0.00 0.00 0.00 33.22 32.21 1i16 n MET 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1i16 s GLN 91 N -2.07 2.89 -1.35 3.17 -0.21 -1.26 -1.76 119.66 119.08 1i16 s GLN 91 Ca 0.29 1.99 -0.15 0.00 0.02 0.00 0.00 55.36 57.52 1i16 s GLN 91 Cb 0.14 -1.98 0.13 0.00 1.00 0.00 0.00 33.01 32.30 1i16 s GLN 91 CO 0.25 -1.31 0.50 0.41 -2.12 0.00 0.00 175.29 173.01 1i16 n GLY 92 N 0.69 -0.45 0.00 3.09 0.00 -1.26 -4.87 105.19 102.39 1i16 n GLY 92 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1i16 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 93 N -3.75 0.00 -4.47 0.99 4.77 -0.72 -5.14 117.00 108.68 1i16 n LEU 93 Ca 0.05 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.81 1i16 n LEU 93 Cb 0.49 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1i16 n LEU 93 CO 0.65 0.00 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.56 1i16 s THR 94 N -1.39 1.11 0.00 -5.08 2.01 -1.26 -4.86 115.64 106.16 1i16 s THR 94 Ca 0.00 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1i16 s THR 94 Cb 0.00 -2.72 -0.00 0.00 0.01 0.00 0.00 72.50 69.79 1i16 s THR 94 CO 0.00 0.00 1.01 -0.09 -0.69 0.00 0.00 174.62 174.85 1i16 h ARG 95 N 2.05 -0.03 -0.09 4.92 2.43 -1.91 0.30 114.38 122.04 1i16 h ARG 95 Ca -0.40 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1i16 h ARG 95 Cb 1.25 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.77 1i16 h ARG 95 CO 0.68 -0.02 -0.12 0.74 -1.51 0.00 0.00 179.97 179.74 1i16 h PHE 96 N -0.03 -0.30 -0.56 2.20 0.04 -1.88 -1.64 116.94 114.78 1i16 h PHE 96 Ca -0.00 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.90 1i16 h PHE 96 Cb 0.02 0.15 -0.10 0.00 2.20 0.00 0.00 35.95 38.22 1i16 h PHE 96 CO 0.23 -0.18 -0.10 0.93 -0.60 0.00 0.00 178.31 178.58 1i16 h GLU 97 N -0.16 0.03 0.23 1.51 5.08 -1.97 0.19 114.58 119.49 1i16 h GLU 97 Ca 0.08 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1i16 h GLU 97 Cb 0.26 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1i16 h GLU 97 CO -0.19 0.02 -0.17 0.00 -1.00 0.00 0.00 179.01 177.67 1i16 h ALA 98 N 1.54 -0.96 0.00 3.43 0.00 0.47 -1.73 119.26 122.01 1i16 h ALA 98 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1i16 h ALA 98 Cb 0.42 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1i16 h ALA 98 CO -0.55 -0.96 0.08 1.87 0.00 0.00 0.00 179.25 179.69 1i16 n TRP 99 N -3.34 0.51 -0.00 0.00 -0.00 -0.70 -2.21 117.44 111.70 1i16 n TRP 99 Ca -0.05 0.27 -0.19 0.00 -0.00 0.00 0.00 57.50 57.53 1i16 n TRP 99 Cb 0.17 -0.87 -0.14 0.00 -0.00 0.00 0.00 31.31 30.47 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 0.29 -0.95 5.87 -0.26 0.23 -3.29 115.58 117.48 1i16 h ASN 100 Ca 0.00 -0.92 0.02 0.00 -0.56 0.00 0.00 56.30 54.84 1i16 h ASN 100 Cb 0.15 -0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.27 1i16 h ASN 100 CO 0.00 1.33 0.62 0.40 -1.06 0.00 0.00 177.43 178.72 1i16 h ILE 101 N -0.58 1.20 0.11 2.81 5.03 -0.91 -2.67 117.51 122.50 1i16 h ILE 101 Ca -0.14 -0.42 0.02 0.00 -0.12 0.00 0.00 64.86 64.19 1i16 h ILE 101 Cb 1.46 -0.14 -0.03 0.00 -3.03 0.00 0.00 36.82 35.08 1i16 h ILE 101 CO 0.07 0.22 -0.24 0.40 -0.68 0.00 0.00 178.15 177.93 1i16 h ILE 102 N 1.23 0.47 -1.25 -0.67 5.03 -1.68 -0.24 117.51 120.40 1i16 h ILE 102 Ca 0.36 0.00 0.37 0.00 -0.12 0.00 0.00 64.86 65.47 1i16 h ILE 102 Cb -0.06 0.47 -0.09 0.00 -3.03 0.00 0.00 36.82 34.10 1i16 h ILE 102 CO -0.10 0.00 0.84 0.11 -0.68 0.00 0.00 178.15 178.32 1i16 h LYS 103 N -0.43 0.16 -0.00 2.37 1.57 -1.54 2.32 116.57 121.02 1i16 h LYS 103 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1i16 h LYS 103 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1i16 h LYS 103 CO -0.14 0.11 -0.03 0.00 -0.57 0.00 0.00 179.45 178.82 1i16 n ALA 104 N -2.59 2.67 -0.82 3.86 0.00 -0.14 -4.89 120.51 118.60 1i16 n ALA 104 Ca 0.31 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 1i16 n ALA 104 Cb 1.25 -1.39 0.25 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.16 0.31 0.79 0.00 -0.00 0.78 -5.03 118.68 113.39 1i16 s LEU 105 Ca 0.40 0.89 -0.11 0.00 -0.00 0.00 0.00 54.13 55.31 1i16 s LEU 105 Cb 0.21 -2.62 0.08 0.00 -0.00 0.00 0.00 46.19 43.86 1i16 s LEU 105 CO 0.39 -4.36 1.15 -2.16 -0.00 0.00 0.00 176.35 171.38 1i16 s PRO 106 N -5.11 1.99 -0.71 1.48 0.04 -1.26 -5.02 135.00 126.41 1i16 s PRO 106 Ca 0.69 0.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.61 1i16 s PRO 106 Cb -0.14 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.57 1i16 s PRO 106 CO 0.58 -1.55 0.74 -0.51 0.04 0.00 0.00 177.00 176.30 1i16 s ASP 107 N -4.57 6.46 0.00 6.66 1.01 -1.26 -4.85 116.67 120.12 1i16 s ASP 107 Ca 0.62 -2.07 0.00 0.00 0.71 0.00 0.00 52.55 51.81 1i16 s ASP 107 Cb -0.11 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1i16 s ASP 107 CO 0.48 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.63 1i16 n GLY 108 N 4.81 2.05 3.55 0.21 0.00 -1.11 -4.92 105.19 109.79 1i16 n GLY 108 Ca 0.03 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 4.40 3.13 -0.45 1.61 0.04 -1.26 -0.81 135.00 141.67 1i16 s PRO 109 Ca 0.00 -0.35 -0.24 0.00 0.04 0.00 0.00 61.00 60.45 1i16 s PRO 109 Cb 0.00 -4.66 0.02 0.00 0.04 0.00 0.00 34.50 29.90 1i16 s PRO 109 CO 0.00 -2.42 0.83 0.54 0.04 0.00 0.00 177.00 176.00 1i16 s VAL 110 N 6.62 4.60 -0.14 -0.36 0.11 -1.26 -4.85 120.40 125.12 1i16 s VAL 110 Ca 0.48 0.57 -0.21 0.00 -2.93 0.00 0.00 61.98 59.89 1i16 s VAL 110 Cb -0.06 -4.35 -0.03 0.00 -1.53 0.00 0.00 36.38 30.40 1i16 s VAL 110 CO 0.07 -0.73 0.63 -0.89 -3.33 0.00 0.00 175.10 170.85 1i16 s THR 111 N 3.43 5.05 0.21 5.04 2.01 -1.26 0.19 115.64 130.31 1i16 s THR 111 Ca 0.32 1.25 0.08 0.00 0.31 0.00 0.00 61.69 63.65 1i16 s THR 111 Cb -0.11 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1i16 s THR 111 CO 0.23 0.19 0.05 0.27 -0.69 0.00 0.00 174.62 174.68 1i16 s ILE 112 N 1.31 3.89 -0.39 1.82 -4.36 0.68 0.24 121.20 124.39 1i16 s ILE 112 Ca 0.32 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1i16 s ILE 112 Cb -0.16 -3.02 0.13 0.00 1.25 0.00 0.00 42.46 40.65 1i16 s ILE 112 CO 0.13 -0.23 0.20 -0.69 0.24 0.00 0.00 174.94 174.59 1i16 s VAL 113 N -1.96 0.99 -0.08 8.37 1.01 -1.13 -0.98 120.40 126.62 1i16 s VAL 113 Ca 0.30 -2.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.01 1i16 s VAL 113 Cb -0.08 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1i16 s VAL 113 CO 0.21 -0.86 0.56 0.27 0.00 0.00 0.00 175.10 175.28 1i16 s ILE 114 N 0.83 5.09 -0.23 2.22 -5.25 -1.22 -2.67 121.20 119.98 1i16 s ILE 114 Ca 0.16 1.15 -0.00 0.00 -0.99 0.00 0.00 60.65 60.97 1i16 s ILE 114 Cb -0.22 -3.90 0.06 0.00 2.95 0.00 0.00 42.46 41.35 1i16 s ILE 114 CO -0.06 0.33 -0.03 -0.60 -1.79 0.00 0.00 174.94 172.79 1i16 s ARG 115 N 0.47 1.37 0.74 0.37 3.52 -1.26 -0.09 118.95 124.08 1i16 s ARG 115 Ca 0.30 -0.89 -0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1i16 s ARG 115 Cb -0.16 -2.48 0.13 0.00 -1.56 0.00 0.00 34.95 30.88 1i16 s ARG 115 CO 0.14 -0.63 1.03 1.03 -0.81 0.00 0.00 175.30 176.06 1i16 s ARG 116 N 1.49 1.60 0.31 5.12 0.52 0.29 -3.90 118.95 124.39 1i16 s ARG 116 Ca -0.04 -0.96 -0.09 0.00 -0.52 0.00 0.00 55.73 54.12 1i16 s ARG 116 Cb -0.18 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.03 1i16 s ARG 116 CO -0.07 -1.53 0.52 0.15 0.02 0.00 0.00 175.30 174.39 1i16 s LYS 117 N -5.23 1.81 2.75 3.54 1.02 -1.26 -1.94 119.74 120.44 1i16 s LYS 117 Ca 0.67 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1i16 s LYS 117 Cb -0.06 0.48 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 1i16 s LYS 117 CO 0.45 -0.77 0.00 0.45 -0.92 0.00 0.00 175.35 174.56 1i16 n SER 118 N -0.99 -0.10 -0.01 2.83 2.88 -1.26 -5.01 113.62 111.96 1i16 n SER 118 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1i16 n SER 118 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1i16 n SER 118 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i16 n LEU 119 N 0.00 -0.88 -0.83 2.46 4.77 -1.26 -4.86 117.00 116.40 1i16 n LEU 119 Ca 0.00 0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 1i16 n LEU 119 Cb 0.00 0.98 0.22 0.00 -2.33 0.00 0.00 43.42 42.28 1i16 n LEU 119 CO 0.00 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 176.74 1i16 n GLN 120 N -1.06 2.98 -0.06 3.23 6.02 -1.26 -4.60 117.38 122.62 1i16 n GLN 120 Ca 0.00 -2.47 0.25 0.00 -0.01 0.00 0.00 57.00 54.77 1i16 n GLN 120 Cb 0.00 -1.58 0.64 0.00 1.02 0.00 0.00 30.24 30.32 1i16 n GLN 120 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1i16 h SER 121 N 2.09 0.00 -2.72 1.08 0.02 -2.04 -3.36 113.55 108.63 1i16 h SER 121 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1i16 h SER 121 Cb 1.11 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.36 1i16 h SER 121 CO 0.12 0.00 -0.42 -0.54 -1.14 0.00 0.00 176.83 174.85 1i16 s LYS 122 N -4.57 0.27 -0.03 3.45 1.02 -1.26 -5.06 119.74 113.56 1i16 s LYS 122 Ca -0.04 0.91 -0.19 0.00 0.02 0.00 0.00 55.97 56.68 1i16 s LYS 122 Cb 0.16 0.17 -0.11 0.00 -0.52 0.00 0.00 37.83 37.52 1i16 s LYS 122 CO 0.54 -0.25 0.78 0.93 -0.92 0.00 0.00 175.35 176.43 1i16 h GLU 123 N 8.08 -0.50 -4.99 1.68 4.39 -1.85 -3.48 114.58 117.91 1i16 h GLU 123 Ca -0.18 0.03 -0.51 0.00 0.34 0.00 0.00 59.36 59.05 1i16 h GLU 123 Cb 1.12 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.75 1i16 h GLU 123 CO 0.15 -0.25 -0.53 0.99 -1.16 0.00 0.00 179.01 178.22 1i16 s THR 124 N -3.62 0.48 0.00 1.13 2.01 -1.26 -5.15 115.64 109.23 1i16 s THR 124 Ca -0.10 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 59.90 1i16 s THR 124 Cb 0.01 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1i16 s THR 124 CO 0.33 0.00 0.00 0.41 -0.69 0.00 0.00 174.62 174.67 1i16 n THR 125 N -0.78 0.00 -0.66 -0.82 -1.04 -1.26 -4.95 114.28 104.77 1i16 n THR 125 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1i16 n THR 125 Cb 0.65 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 n ALA 126 N -3.00 0.00 -1.55 2.41 0.00 -1.26 -4.05 120.51 113.06 1i16 n ALA 126 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1i16 n ALA 126 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.00 -0.30 -2.81 0.00 0.00 -1.26 -4.74 120.51 108.39 1i16 n ALA 127 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1i16 n ALA 127 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1i16 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 128 N -0.32 4.71 3.53 0.00 0.00 -1.26 -5.17 105.19 106.68 1i16 n GLY 128 Ca -0.11 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 1i16 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i16 s ASP 129 N 1.14 3.67 0.00 1.61 -4.77 -1.26 -5.11 116.67 111.95 1i16 s ASP 129 Ca 0.00 -1.19 0.00 0.00 -3.30 0.00 0.00 52.55 48.06 1i16 s ASP 129 Cb 0.00 -0.34 0.00 0.00 -1.09 0.00 0.00 42.92 41.49 1i16 s ASP 129 CO 0.00 -0.20 0.48 -1.54 0.70 0.00 0.00 175.17 174.60