#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jef s VAL 2 N 0.00 3.47 0.40 3.15 1.01 -1.26 -1.30 120.40 125.87 1jef s VAL 2 Ca 0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1jef s VAL 2 Cb 0.00 -2.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 1jef s VAL 2 CO 0.00 0.19 0.97 -0.31 0.00 0.00 0.00 175.10 175.95 1jef s TYR 3 N 1.43 3.37 0.69 5.22 1.51 -0.33 -5.00 117.35 124.25 1jef s TYR 3 Ca 0.02 1.66 -0.11 0.00 -1.01 0.00 0.00 57.07 57.63 1jef s TYR 3 Cb -0.16 -2.94 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1jef s TYR 3 CO -0.01 -0.18 1.06 0.20 -1.11 0.00 0.00 175.55 175.50 1jef s GLY 4 N -1.90 1.66 0.08 0.71 0.00 -1.26 -4.82 107.32 101.78 1jef s GLY 4 Ca 0.59 0.03 -0.25 0.00 0.00 0.00 0.00 44.72 45.09 1jef s GLY 4 CO 0.19 0.34 1.68 -0.09 0.00 0.00 0.00 173.10 175.22 1jef h ARG 5 N -0.68 -0.17 -0.15 2.90 2.43 -1.97 -0.55 114.38 116.18 1jef h ARG 5 Ca -0.44 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.59 1jef h ARG 5 Cb 1.21 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1jef h ARG 5 CO 0.58 -0.08 -0.56 0.00 -1.51 0.00 0.00 179.97 178.40 1jef h GLU 7 N 0.36 0.68 -0.30 0.00 4.81 -1.92 -1.69 114.58 116.52 1jef h GLU 7 Ca 0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1jef h GLU 7 Cb 1.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1jef h GLU 7 CO 0.10 0.45 -0.22 1.25 -0.73 0.00 0.00 179.01 179.86 1jef h LEU 8 N 0.70 0.71 -0.99 1.64 5.85 -0.85 -2.11 115.31 120.25 1jef h LEU 8 Ca 0.26 -0.45 0.11 0.00 0.84 0.00 0.00 57.88 58.65 1jef h LEU 8 Cb 0.09 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 1jef h LEU 8 CO -0.14 1.00 0.62 0.00 -0.34 0.00 0.00 178.44 179.59 1jef h ALA 9 N 0.73 1.48 -0.16 1.25 0.00 -0.80 0.58 119.26 122.34 1jef h ALA 9 Ca 0.06 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1jef h ALA 9 Cb 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jef h ALA 9 CO 0.06 0.24 -0.35 0.00 0.00 0.00 0.00 179.25 179.20 1jef h ALA 10 N 1.53 0.26 -0.85 0.00 0.00 -1.22 0.26 119.26 119.22 1jef h ALA 10 Ca 0.49 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1jef h ALA 10 Cb 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1jef h ALA 10 CO -0.26 0.32 0.55 0.00 0.00 0.00 0.00 179.25 179.86 1jef h ALA 11 N 0.56 1.13 -0.08 0.00 0.00 -0.87 -1.91 119.26 118.09 1jef h ALA 11 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1jef h ALA 11 Cb 0.96 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1jef h ALA 11 CO 0.08 0.37 -0.70 0.52 0.00 0.00 0.00 179.25 179.52 1jef h MET 12 N 1.05 0.39 -0.42 0.00 2.86 -0.65 -3.13 114.93 115.04 1jef h MET 12 Ca 0.35 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1jef h MET 12 Cb 0.03 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1jef h MET 12 CO -0.13 0.95 0.16 -0.22 1.06 0.00 0.00 176.91 178.73 1jef h LYS 13 N 0.27 0.63 0.00 1.72 1.63 -0.61 -2.49 116.57 117.72 1jef h LYS 13 Ca -0.02 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1jef h LYS 13 Cb 1.27 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1jef h LYS 13 CO 0.12 0.59 0.00 0.54 -3.45 0.00 0.00 179.45 177.25 1jef n ARG 14 N -4.62 0.15 -0.40 1.90 1.74 -0.75 -2.29 116.66 112.39 1jef n ARG 14 Ca 0.00 0.37 0.11 0.00 -0.77 0.00 0.00 57.85 57.56 1jef n ARG 14 Cb 0.15 -1.78 0.32 0.00 -1.02 0.00 0.00 32.46 30.13 1jef n ARG 14 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jef n LEU 15 N -2.06 4.03 0.00 0.55 4.77 -1.03 -4.97 117.00 118.28 1jef n LEU 15 Ca 0.03 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 1jef n LEU 15 Cb 0.22 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1jef n LEU 15 CO 0.19 0.95 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1jef n GLY 16 N 1.51 0.65 0.07 -0.72 0.00 -0.97 -4.99 105.19 100.74 1jef n GLY 16 Ca 0.24 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1jef n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jef h LEU 17 N 0.00 0.00 -8.97 0.99 3.38 -1.64 -3.41 115.31 105.65 1jef h LEU 17 Ca 0.00 -0.20 -0.57 0.00 0.09 0.00 0.00 57.88 57.20 1jef h LEU 17 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jef h LEU 17 CO 0.00 0.10 1.17 -0.62 0.09 0.00 0.00 178.44 179.18 1jef s ASP 18 N -4.38 6.22 -0.95 -0.43 -1.08 -1.26 -2.41 116.67 112.39 1jef s ASP 18 Ca 0.05 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.57 1jef s ASP 18 Cb 0.13 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1jef s ASP 18 CO 0.74 -1.41 0.00 0.59 0.52 0.00 0.00 175.17 175.61 1jef n ASN 19 N 9.05 -3.77 -4.66 -0.34 5.03 -0.30 -4.89 115.26 115.38 1jef n ASN 19 Ca 0.20 0.12 -0.42 0.00 0.87 0.00 0.00 54.58 55.35 1jef n ASN 19 Cb 0.46 -2.57 -0.03 0.00 -1.02 0.00 0.00 39.78 36.62 1jef n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1jef s TYR 20 N -2.43 1.88 -1.39 3.10 5.04 -1.01 -1.28 117.35 121.26 1jef s TYR 20 Ca 0.00 0.06 -0.06 0.00 -2.44 0.00 0.00 57.07 54.63 1jef s TYR 20 Cb 0.00 -4.00 0.03 0.00 0.35 0.00 0.00 41.96 38.35 1jef s TYR 20 CO 0.00 -4.24 0.45 0.54 -1.34 0.00 0.00 175.55 170.96 1jef n ARG 21 N 7.03 -3.78 0.00 4.97 1.74 -1.26 -1.61 116.66 123.75 1jef n ARG 21 Ca 0.18 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 1jef n ARG 21 Cb 0.42 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.42 1jef n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jef n GLY 22 N -1.26 2.88 3.61 -0.13 0.00 -0.41 -5.02 105.19 104.86 1jef n GLY 22 Ca -0.08 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1jef n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jef s TYR 23 N -2.22 1.95 0.85 1.61 2.02 -0.64 -4.73 117.35 116.19 1jef s TYR 23 Ca 0.00 0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 57.18 1jef s TYR 23 Cb 0.00 -4.12 0.11 0.00 -0.40 0.00 0.00 41.96 37.55 1jef s TYR 23 CO 0.00 -2.86 1.17 -1.54 -1.57 0.00 0.00 175.55 170.75 1jef s SER 24 N 5.31 3.40 0.25 2.29 1.04 -1.26 -1.15 113.70 123.57 1jef s SER 24 Ca 0.76 2.25 -0.05 0.00 0.48 0.00 0.00 55.95 59.39 1jef s SER 24 Cb -0.22 -2.57 0.48 0.00 0.10 0.00 0.00 66.02 63.80 1jef s SER 24 CO 0.33 -2.79 1.68 0.25 0.98 0.00 0.00 173.24 173.69 1jef h LEU 25 N -1.30 -0.01 -2.23 2.42 6.46 -1.90 -2.06 115.31 116.69 1jef h LEU 25 Ca -0.45 0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.51 1jef h LEU 25 Cb 1.28 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.41 1jef h LEU 25 CO 0.45 -0.05 0.25 1.23 -0.62 0.00 0.00 178.44 179.69 1jef h GLY 26 N 0.26 0.00 1.05 3.75 0.00 -1.91 -0.03 103.07 106.18 1jef h GLY 26 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 1jef h GLY 26 CO -0.53 0.00 0.57 3.43 0.00 0.00 0.00 176.54 180.01 1jef h ASN 27 N 0.00 1.12 0.66 0.19 2.35 -1.58 0.93 115.58 119.25 1jef h ASN 27 Ca 0.07 -0.06 -0.27 0.00 -0.55 0.00 0.00 56.30 55.49 1jef h ASN 27 Cb 0.57 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1jef h ASN 27 CO -0.00 0.85 -1.27 -0.50 -1.65 0.00 0.00 177.43 174.86 1jef h TRP 28 N 1.29 0.38 -0.15 1.19 4.06 -1.16 -0.39 115.95 121.16 1jef h TRP 28 Ca 0.34 -0.28 -0.06 0.00 2.06 0.00 0.00 58.89 60.95 1jef h TRP 28 Cb -0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.07 1jef h TRP 28 CO 0.00 1.24 -0.13 0.28 -3.56 0.00 0.00 178.44 176.28 1jef h VAL 29 N 0.06 1.34 -0.69 1.49 2.07 -1.38 -1.32 116.25 117.81 1jef h VAL 29 Ca -0.14 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1jef h VAL 29 Cb 1.95 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.51 1jef h VAL 29 CO 0.18 0.37 0.38 0.00 0.02 0.00 0.00 177.57 178.52 1jef h ALA 31 N 1.19 0.99 -0.15 0.00 0.00 -0.95 -2.36 119.26 117.99 1jef h ALA 31 Ca 0.25 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1jef h ALA 31 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jef h ALA 31 CO -0.04 0.31 -0.51 0.00 0.00 0.00 0.00 179.25 179.00 1jef h ALA 32 N 1.31 0.85 0.26 0.00 0.00 -0.87 -1.39 119.26 119.42 1jef h ALA 32 Ca 0.30 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1jef h ALA 32 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jef h ALA 32 CO -0.10 0.67 -0.12 -0.22 0.00 0.00 0.00 179.25 179.48 1jef h LYS 33 N 0.32 -0.34 0.00 0.00 3.11 -0.89 -1.78 116.57 116.99 1jef h LYS 33 Ca 0.01 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1jef h LYS 33 Cb 1.01 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1jef h LYS 33 CO 0.09 -0.14 -0.02 0.74 -2.81 0.00 0.00 179.45 177.30 1jef h PHE 34 N -0.47 0.00 0.19 1.91 0.04 -1.39 0.25 116.94 117.48 1jef h PHE 34 Ca -0.04 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.42 1jef h PHE 34 Cb 0.35 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.52 1jef h PHE 34 CO -0.03 0.00 -1.50 0.93 -0.60 0.00 0.00 178.31 177.11 1jef h GLU 35 N 0.00 0.40 0.00 1.51 4.39 -1.20 -3.44 114.58 116.25 1jef h GLU 35 Ca 0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1jef h GLU 35 Cb 0.78 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1jef h GLU 35 CO 0.00 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1jef n SER 36 N -3.75 0.02 -3.59 1.42 3.41 -0.69 -4.89 113.62 105.54 1jef n SER 36 Ca -0.21 -0.73 -0.24 0.00 -0.26 0.00 0.00 58.87 57.43 1jef n SER 36 Cb 1.02 0.01 0.08 0.00 -0.26 0.00 0.00 64.21 65.06 1jef n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1jef n ASN 37 N -0.01 -6.15 -1.72 4.04 4.05 0.89 -2.60 115.26 113.76 1jef n ASN 37 Ca 0.00 -0.55 -0.19 0.00 0.45 0.00 0.00 54.58 54.29 1jef n ASN 37 Cb 0.18 -5.03 -0.06 0.00 1.23 0.00 0.00 39.78 36.10 1jef n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1jef n PHE 38 N -4.97 -0.32 -3.61 1.20 3.72 -1.17 -4.82 117.46 107.50 1jef n PHE 38 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 1jef n PHE 38 Cb 0.57 -3.40 -0.11 0.00 -0.94 0.00 0.00 39.48 35.59 1jef n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jef s ASN 39 N -2.57 5.76 0.61 4.37 3.84 -1.07 -1.19 114.94 124.69 1jef s ASN 39 Ca 0.00 -0.42 0.39 0.00 0.21 0.00 0.00 52.86 53.04 1jef s ASN 39 Cb 0.00 -2.06 1.91 0.00 -0.55 0.00 0.00 41.25 40.55 1jef s ASN 39 CO 0.00 -0.19 2.19 0.71 -2.79 0.00 0.00 177.10 177.02 1jef h THR 40 N 5.57 0.03 -0.01 -5.21 1.35 -1.52 -2.30 112.91 110.80 1jef h THR 40 Ca -0.32 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1jef h THR 40 Cb 1.16 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1jef h THR 40 CO 0.61 0.01 -0.14 1.41 -0.25 0.00 0.00 175.52 177.15 1jef n HIS 41 N -3.11 0.00 -1.74 4.73 8.25 -1.26 -3.94 115.22 118.14 1jef n HIS 41 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1jef n HIS 41 Cb 0.19 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1jef n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jef n ALA 42 N -0.23 2.25 -2.92 -1.41 0.00 -0.87 -4.78 120.51 112.56 1jef n ALA 42 Ca 0.15 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1jef n ALA 42 Cb 0.36 -2.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.27 1jef n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jef s THR 43 N -0.47 0.04 -0.02 0.00 -4.23 -1.26 -0.41 115.64 109.28 1jef s THR 43 Ca 0.60 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 1jef s THR 43 Cb -0.51 -0.11 0.03 0.00 1.34 0.00 0.00 72.50 73.25 1jef s THR 43 CO 0.55 -0.17 0.02 0.20 -0.54 0.00 0.00 174.62 174.68 1jef s ASN 44 N -0.49 0.14 -0.00 3.99 0.01 -0.63 -4.97 114.94 112.99 1jef s ASN 44 Ca -0.05 0.02 -0.11 0.00 -0.71 0.00 0.00 52.86 52.01 1jef s ASN 44 Cb -0.03 -0.10 -0.05 0.00 0.41 0.00 0.00 41.25 41.48 1jef s ASN 44 CO -0.00 -0.12 0.33 -0.60 -1.51 0.00 0.00 177.10 175.20 1jef s ARG 45 N 1.01 3.73 0.18 -0.60 3.52 -1.26 -0.27 118.95 125.26 1jef s ARG 45 Ca -0.09 0.16 0.06 0.00 -0.13 0.00 0.00 55.73 55.74 1jef s ARG 45 Cb -0.13 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1jef s ARG 45 CO -0.03 0.67 0.07 -0.80 -0.81 0.00 0.00 175.30 174.41 1jef s ASN 46 N -1.34 5.13 0.35 -2.12 0.01 0.44 -4.97 114.94 112.45 1jef s ASN 46 Ca 0.25 -0.29 0.27 0.00 -0.71 0.00 0.00 52.86 52.38 1jef s ASN 46 Cb -0.14 -1.22 1.10 0.00 0.41 0.00 0.00 41.25 41.40 1jef s ASN 46 CO 0.13 0.06 1.80 0.71 -1.51 0.00 0.00 177.10 178.30 1jef h THR 47 N 2.17 0.00 0.00 1.60 1.35 -1.99 -1.86 112.91 114.17 1jef h THR 47 Ca -0.47 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1jef h THR 47 Cb 1.21 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1jef h THR 47 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 1jef n ASP 48 N -2.52 0.00 0.00 5.36 5.68 -1.26 -4.91 116.55 118.89 1jef n ASP 48 Ca 0.02 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 1jef n ASP 48 Cb 0.26 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1jef n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jef n GLY 49 N 0.98 0.52 3.92 6.12 0.00 -0.70 -4.88 105.19 111.14 1jef n GLY 49 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1jef n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jef s SER 50 N -1.93 5.87 0.05 1.61 1.04 -1.26 -4.45 113.70 114.63 1jef s SER 50 Ca 0.00 0.68 0.05 0.00 0.48 0.00 0.00 55.95 57.16 1jef s SER 50 Cb 0.00 -1.84 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 1jef s SER 50 CO 0.00 -0.82 -0.13 -0.89 0.98 0.00 0.00 173.24 172.38 1jef s THR 51 N -2.80 1.04 -0.19 2.02 2.01 -1.26 -0.42 115.64 116.04 1jef s THR 51 Ca 0.50 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.30 1jef s THR 51 Cb -0.10 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 1jef s THR 51 CO 0.43 -0.10 0.20 -1.81 -0.69 0.00 0.00 174.62 172.65 1jef s ASP 52 N -1.35 6.28 -0.08 3.53 1.01 0.63 -1.40 116.67 125.30 1jef s ASP 52 Ca -0.01 0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.62 1jef s ASP 52 Cb -0.09 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1jef s ASP 52 CO 0.01 0.13 -0.23 -0.31 0.21 0.00 0.00 175.17 174.98 1jef s TYR 53 N 0.52 2.52 0.00 4.23 1.51 0.03 -1.61 117.35 124.56 1jef s TYR 53 Ca 0.11 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.41 1jef s TYR 53 Cb -0.12 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1jef s TYR 53 CO 0.01 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 1jef n GLY 54 N 3.11 -1.96 0.26 0.71 0.00 0.45 -1.80 105.19 105.97 1jef n GLY 54 Ca -0.18 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.35 1jef n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jef h ILE 55 N 0.00 0.78 -0.30 -0.61 2.10 -1.68 -1.92 117.51 115.88 1jef h ILE 55 Ca 0.00 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1jef h ILE 55 Cb 0.00 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 1jef h ILE 55 CO 0.00 0.09 0.00 0.18 -1.08 0.00 0.00 178.15 177.34 1jef n LEU 56 N -4.03 3.23 -3.85 2.19 4.77 -1.26 -4.16 117.00 113.89 1jef n LEU 56 Ca -0.02 -2.37 -0.33 0.00 -0.03 0.00 0.00 56.01 53.25 1jef n LEU 56 Cb 0.18 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1jef n LEU 56 CO 0.32 0.70 -0.15 0.00 -1.33 0.00 0.00 177.39 176.93 1jef n GLN 57 N 0.09 -1.51 -2.81 3.23 1.13 -0.72 -4.91 117.38 111.89 1jef n GLN 57 Ca 0.15 0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 1jef n GLN 57 Cb 0.59 -3.87 -0.04 0.00 0.11 0.00 0.00 30.24 27.04 1jef n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jef s ILE 58 N -3.63 4.90 0.07 5.09 1.01 -0.75 -4.44 121.20 123.45 1jef s ILE 58 Ca 0.35 1.89 -0.25 0.00 0.00 0.00 0.00 60.65 62.64 1jef s ILE 58 Cb -0.14 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1jef s ILE 58 CO 0.90 0.19 0.77 0.21 0.00 0.00 0.00 174.94 177.01 1jef s ASN 59 N 0.89 7.25 0.00 3.58 2.47 -1.26 -0.79 114.94 127.08 1jef s ASN 59 Ca 0.48 1.49 0.27 0.00 0.42 0.00 0.00 52.86 55.51 1jef s ASN 59 Cb -0.20 -2.48 1.27 0.00 -1.45 0.00 0.00 41.25 38.39 1jef s ASN 59 CO 0.25 0.05 1.89 -1.54 -3.72 0.00 0.00 177.10 174.03 1jef n SER 60 N 2.60 0.00 0.06 -4.21 3.41 -0.49 -1.11 113.62 113.88 1jef n SER 60 Ca -0.03 0.14 -0.20 0.00 -0.26 0.00 0.00 58.87 58.52 1jef n SER 60 Cb 0.50 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1jef n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jef h ARG 61 N 0.00 0.65 0.00 4.33 2.43 -1.84 -3.41 114.38 116.53 1jef h ARG 61 Ca 0.00 -0.76 -0.31 0.00 -0.81 0.00 0.00 59.98 58.10 1jef h ARG 61 Cb 0.34 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1jef h ARG 61 CO 0.00 1.33 -2.18 0.91 -1.51 0.00 0.00 179.97 178.52 1jef n TRP 62 N -3.82 0.00 -0.06 2.20 7.02 -1.16 -0.62 117.44 121.01 1jef n TRP 62 Ca -0.12 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.29 1jef n TRP 62 Cb 0.92 -0.80 -0.08 0.00 -2.42 0.00 0.00 31.31 28.93 1jef n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1jef n TRP 63 N -3.06 0.00 -4.29 -5.99 7.02 -0.27 -1.13 117.44 109.72 1jef n TRP 63 Ca -0.36 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 55.97 1jef n TRP 63 Cb 0.91 -0.57 -0.10 0.00 -2.42 0.00 0.00 31.31 29.13 1jef n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jef s ASN 65 N -3.25 4.16 0.00 0.00 3.84 0.10 -4.36 114.94 115.42 1jef s ASN 65 Ca 0.31 -0.38 0.07 0.00 0.21 0.00 0.00 52.86 53.07 1jef s ASN 65 Cb 0.07 -1.69 0.03 0.00 -0.55 0.00 0.00 41.25 39.12 1jef s ASN 65 CO 0.09 0.04 0.64 -0.90 -2.79 0.00 0.00 177.10 174.18 1jef n ASP 66 N 4.37 1.36 0.00 -4.21 5.68 -1.26 -0.74 116.55 121.74 1jef n ASP 66 Ca -0.18 -1.18 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 1jef n ASP 66 Cb 0.51 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 1jef n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jef n GLY 67 N 0.55 3.19 0.52 6.12 0.00 -1.26 -4.85 105.19 109.46 1jef n GLY 67 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1jef n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jef n ARG 68 N -1.66 2.09 -3.75 1.61 1.74 -1.26 -4.95 116.66 110.48 1jef n ARG 68 Ca 0.00 -1.71 -0.37 0.00 -0.77 0.00 0.00 57.85 55.00 1jef n ARG 68 Cb 0.00 -1.23 -0.13 0.00 -1.02 0.00 0.00 32.46 30.09 1jef n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jef s THR 69 N -0.95 4.05 0.18 0.55 2.01 -1.26 -4.89 115.64 115.34 1jef s THR 69 Ca 0.18 -0.60 -0.32 0.00 0.31 0.00 0.00 61.69 61.26 1jef s THR 69 Cb 0.10 -3.06 -0.12 0.00 0.01 0.00 0.00 72.50 69.44 1jef s THR 69 CO 0.14 0.12 1.74 -0.81 -0.69 0.00 0.00 174.62 175.12 1jef n PRO 70 N 4.88 2.74 -1.19 4.92 -0.04 -1.26 -2.59 135.00 142.46 1jef n PRO 70 Ca -0.15 0.99 -0.06 0.00 -0.04 0.00 0.00 63.50 64.24 1jef n PRO 70 Cb 0.49 -2.84 -0.02 0.00 -0.04 0.00 0.00 33.50 31.08 1jef n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jef n GLY 71 N 3.99 0.80 3.67 0.55 0.00 -1.26 -4.96 105.19 107.98 1jef n GLY 71 Ca 0.17 -0.80 -0.46 0.00 0.00 0.00 0.00 46.02 44.92 1jef n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jef n SER 72 N 1.08 3.19 0.14 1.61 2.88 -1.07 -4.87 113.62 116.58 1jef n SER 72 Ca -0.06 1.06 0.12 0.00 -1.33 0.00 0.00 58.87 58.66 1jef n SER 72 Cb 0.20 -1.42 0.16 0.00 -0.75 0.00 0.00 64.21 62.40 1jef n SER 72 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jef h LYS 73 N 6.73 0.00 -6.86 -1.46 1.57 -1.05 -3.49 116.57 112.01 1jef h LYS 73 Ca -0.46 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.76 1jef h LYS 73 Cb 1.26 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.34 1jef h LYS 73 CO 0.90 0.00 -0.86 -1.71 -0.57 0.00 0.00 179.45 177.21 1jef n ASN 74 N -2.68 0.26 0.30 0.86 4.05 -1.13 -4.83 115.26 112.08 1jef n ASN 74 Ca 0.03 -1.15 0.20 0.00 0.45 0.00 0.00 54.58 54.11 1jef n ASN 74 Cb 0.50 -1.43 1.00 0.00 1.23 0.00 0.00 39.78 41.08 1jef n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1jef h LEU 75 N -1.33 0.00 -0.56 1.20 4.07 -1.14 0.05 115.31 117.60 1jef h LEU 75 Ca -0.58 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1jef h LEU 75 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1jef h LEU 75 CO 0.68 0.00 -0.26 0.00 -1.08 0.00 0.00 178.44 177.78 1jef n ASN 77 N -0.56 -3.67 -3.86 0.00 3.02 0.00 -4.97 115.26 105.23 1jef n ASN 77 Ca 0.12 -0.80 -0.11 0.00 -0.03 0.00 0.00 54.58 53.76 1jef n ASN 77 Cb 0.36 -4.42 -0.10 0.00 -0.61 0.00 0.00 39.78 35.00 1jef n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1jef s ILE 78 N -3.50 0.07 0.35 2.41 -4.36 -1.26 -5.08 121.20 109.83 1jef s ILE 78 Ca 0.22 -0.57 -0.28 0.00 -0.26 0.00 0.00 60.65 59.76 1jef s ILE 78 Cb -0.05 -0.39 -0.11 0.00 1.25 0.00 0.00 42.46 43.16 1jef s ILE 78 CO 0.79 -0.31 1.43 -2.84 0.24 0.00 0.00 174.94 174.25 1jef s PRO 79 N -1.11 4.20 0.44 0.37 0.02 -1.26 -0.72 135.00 136.94 1jef s PRO 79 Ca -0.12 2.44 0.16 0.00 0.02 0.00 0.00 61.00 63.50 1jef s PRO 79 Cb -0.06 -3.01 0.99 0.00 0.02 0.00 0.00 34.50 32.43 1jef s PRO 79 CO 0.01 -0.42 1.95 0.00 -0.33 0.00 0.00 177.00 178.22 1jef h SER 81 N 0.00 0.00 0.59 0.00 4.64 -1.92 -0.80 113.55 116.06 1jef h SER 81 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1jef h SER 81 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1jef h SER 81 CO 0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.92 1jef h ALA 82 N 1.96 1.09 -0.00 5.18 0.00 -1.69 -2.22 119.26 123.58 1jef h ALA 82 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jef h ALA 82 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jef h ALA 82 CO -0.00 0.08 -0.03 1.28 0.00 0.00 0.00 179.25 180.58 1jef n LEU 83 N -3.30 0.24 -1.37 0.00 4.32 -0.31 -3.73 117.00 112.86 1jef n LEU 83 Ca -0.01 0.05 0.09 0.00 -0.02 0.00 0.00 56.01 56.12 1jef n LEU 83 Cb 0.25 -0.14 0.32 0.00 -1.62 0.00 0.00 43.42 42.23 1jef n LEU 83 CO 0.27 0.04 0.78 0.18 -1.22 0.00 0.00 177.39 177.45 1jef n LEU 84 N -0.99 4.46 -4.83 2.23 4.77 -0.84 -4.17 117.00 117.64 1jef n LEU 84 Ca 0.18 -2.53 -0.33 0.00 -0.03 0.00 0.00 56.01 53.31 1jef n LEU 84 Cb 0.21 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1jef n LEU 84 CO 0.21 0.77 0.69 -0.55 -1.33 0.00 0.00 177.39 177.17 1jef s SER 85 N -1.09 6.46 0.51 -1.43 0.15 -1.24 -4.56 113.70 112.50 1jef s SER 85 Ca 0.46 1.67 0.31 0.00 0.70 0.00 0.00 55.95 59.09 1jef s SER 85 Cb 0.31 -2.52 1.09 0.00 -1.71 0.00 0.00 66.02 63.19 1jef s SER 85 CO 0.20 -0.70 1.88 0.28 1.20 0.00 0.00 173.24 176.11 1jef h SER 86 N 1.02 0.00 -3.34 5.45 0.02 -1.94 -3.40 113.55 111.36 1jef h SER 86 Ca -0.47 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.90 1jef h SER 86 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 1jef h SER 86 CO 0.60 0.00 0.29 -0.62 -1.14 0.00 0.00 176.83 175.97 1jef s ASP 87 N -5.79 6.98 0.00 3.07 -1.08 -1.26 -4.95 116.67 113.64 1jef s ASP 87 Ca 0.03 1.20 0.28 0.00 -0.52 0.00 0.00 52.55 53.53 1jef s ASP 87 Cb 0.08 -2.45 1.15 0.00 -1.46 0.00 0.00 42.92 40.24 1jef s ASP 87 CO 0.57 -0.31 1.79 2.30 0.52 0.00 0.00 175.17 180.05 1jef n ILE 88 N 4.42 0.02 -0.12 4.11 -5.35 -1.26 -4.49 119.36 116.69 1jef n ILE 88 Ca 0.03 -0.22 -0.05 0.00 -0.27 0.00 0.00 62.75 62.24 1jef n ILE 88 Cb 0.50 0.32 0.03 0.00 -1.74 0.00 0.00 39.64 38.74 1jef n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jef h THR 89 N 1.93 0.69 -0.84 7.28 2.02 -1.95 -0.71 112.91 121.33 1jef h THR 89 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1jef h THR 89 Cb 0.41 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1jef h THR 89 CO 0.00 0.02 0.41 0.00 0.37 0.00 0.00 175.52 176.32 1jef h ALA 90 N 1.35 1.09 -0.24 6.16 0.00 -1.86 -0.83 119.26 124.93 1jef h ALA 90 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jef h ALA 90 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jef h ALA 90 CO -0.33 0.65 0.10 0.77 0.00 0.00 0.00 179.25 180.44 1jef h SER 91 N 1.20 0.33 -0.52 0.00 0.02 -1.61 -2.16 113.55 110.81 1jef h SER 91 Ca 0.29 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1jef h SER 91 Cb 0.11 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1jef h SER 91 CO -0.04 0.39 0.21 0.58 -1.14 0.00 0.00 176.83 176.84 1jef h VAL 92 N 0.25 1.22 -0.67 2.27 2.07 -0.86 0.92 116.25 121.44 1jef h VAL 92 Ca 0.08 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1jef h VAL 92 Cb 0.16 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1jef h VAL 92 CO -0.01 0.26 0.28 0.78 0.02 0.00 0.00 177.57 178.90 1jef h ASN 93 N 0.71 0.92 -0.47 0.57 2.35 -1.13 -0.35 115.58 118.18 1jef h ASN 93 Ca 0.17 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1jef h ASN 93 Cb 0.20 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1jef h ASN 93 CO -0.01 0.83 -0.06 0.00 -1.65 0.00 0.00 177.43 176.54 1jef h ALA 95 N 0.90 1.37 -0.99 0.00 0.00 0.03 0.89 119.26 121.45 1jef h ALA 95 Ca 0.13 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1jef h ALA 95 Cb 0.59 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1jef h ALA 95 CO 0.04 0.57 0.63 0.87 0.00 0.00 0.00 179.25 181.35 1jef h LYS 96 N 1.13 1.04 -0.27 0.00 1.57 -1.02 0.61 116.57 119.63 1jef h LYS 96 Ca 0.30 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1jef h LYS 96 Cb -0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 1jef h LYS 96 CO -0.06 0.69 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.12 1jef h LYS 97 N 1.07 0.59 -0.40 3.15 3.64 -0.78 -2.46 116.57 121.38 1jef h LYS 97 Ca 0.46 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1jef h LYS 97 Cb 0.33 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1jef h LYS 97 CO -0.22 0.85 0.23 0.82 -2.27 0.00 0.00 179.45 178.86 1jef h ILE 98 N 0.33 1.02 0.00 2.00 2.04 -0.68 -2.68 117.51 119.54 1jef h ILE 98 Ca 0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1jef h ILE 98 Cb 0.69 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1jef h ILE 98 CO 0.05 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.28 1jef h ALA 99 N 1.19 1.00 0.00 1.87 0.00 -0.78 -1.36 119.26 121.17 1jef h ALA 99 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jef h ALA 99 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jef h ALA 99 CO -0.09 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.59 1jef n SER 100 N -2.88 0.32 -4.71 0.00 7.64 -0.94 -3.96 113.62 109.10 1jef n SER 100 Ca 0.01 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.14 1jef n SER 100 Cb 0.27 -0.63 0.14 0.00 -1.01 0.00 0.00 64.21 62.97 1jef n SER 100 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1jef s GLY 101 N -3.25 1.64 0.36 0.23 0.00 -0.52 -4.88 107.32 100.92 1jef s GLY 101 Ca 0.09 0.17 0.12 0.00 0.00 0.00 0.00 44.72 45.10 1jef s GLY 101 CO 0.42 0.62 1.81 -1.33 0.00 0.00 0.00 173.10 174.62 1jef h GLY 102 N -1.57 1.32 2.00 0.20 0.00 -1.88 0.26 103.07 103.39 1jef h GLY 102 Ca -0.47 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1jef h GLY 102 CO 0.50 -0.04 0.00 -2.01 0.00 0.00 0.00 176.54 175.00 1jef n ASN 103 N -4.63 0.01 0.00 0.19 5.15 -1.26 -4.96 115.26 109.75 1jef n ASN 103 Ca 0.22 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1jef n ASN 103 Cb 0.66 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.41 1jef n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jef n GLY 104 N 0.19 2.93 0.03 8.20 0.00 0.08 -1.31 105.19 115.31 1jef n GLY 104 Ca 0.04 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1jef n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jef n MET 105 N 14.00 0.82 0.05 1.61 2.81 -1.26 -3.06 117.12 132.08 1jef n MET 105 Ca 0.00 -0.06 0.07 0.00 -1.81 0.00 0.00 57.70 55.90 1jef n MET 105 Cb 0.00 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.32 1jef n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jef n ASN 106 N -1.04 0.22 0.28 7.83 4.13 -0.43 -1.15 115.26 125.11 1jef n ASN 106 Ca 0.20 0.57 0.19 0.00 1.68 0.00 0.00 54.58 57.22 1jef n ASN 106 Cb 0.18 -0.61 0.93 0.00 -1.54 0.00 0.00 39.78 38.73 1jef n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jef h ALA 107 N 2.25 1.00 -2.40 5.41 0.00 -1.70 -3.38 119.26 120.44 1jef h ALA 107 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1jef h ALA 107 Cb 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.75 1jef h ALA 107 CO 0.00 0.00 -0.37 -1.58 0.00 0.00 0.00 179.25 177.30 1jef s TRP 108 N -3.87 3.24 0.24 0.00 0.51 -0.30 -4.96 118.94 113.81 1jef s TRP 108 Ca -0.02 -0.73 -0.05 0.00 -2.12 0.00 0.00 56.10 53.18 1jef s TRP 108 Cb 0.11 -2.87 0.26 0.00 -0.81 0.00 0.00 33.47 30.16 1jef s TRP 108 CO 0.41 -0.69 1.79 0.28 -0.51 0.00 0.00 176.95 178.23 1jef h VAL 109 N 5.69 1.25 -0.18 4.03 2.07 -1.86 -0.78 116.25 126.47 1jef h VAL 109 Ca -0.28 -0.85 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 1jef h VAL 109 Cb 1.12 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1jef h VAL 109 CO 0.80 0.33 -0.28 0.00 0.02 0.00 0.00 177.57 178.44 1jef h ALA 110 N 1.23 1.19 -0.21 1.67 0.00 -1.93 -1.42 119.26 119.80 1jef h ALA 110 Ca 0.22 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1jef h ALA 110 Cb 0.29 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jef h ALA 110 CO -0.01 0.53 -0.69 2.35 0.00 0.00 0.00 179.25 181.43 1jef h TRP 111 N 0.30 1.09 -0.05 0.00 7.01 -1.68 -0.85 115.95 121.78 1jef h TRP 111 Ca 0.04 -0.45 -0.12 0.00 2.11 0.00 0.00 58.89 60.48 1jef h TRP 111 Cb 0.66 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 1jef h TRP 111 CO 0.02 1.28 -0.51 0.07 -2.79 0.00 0.00 178.44 176.51 1jef h ARG 112 N 0.60 0.12 0.04 2.65 0.11 -0.75 0.70 114.38 117.85 1jef h ARG 112 Ca -0.03 -0.07 -0.27 0.00 0.10 0.00 0.00 59.98 59.72 1jef h ARG 112 Cb 1.31 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.37 1jef h ARG 112 CO 0.15 0.60 -1.39 -0.91 0.10 0.00 0.00 179.97 178.52 1jef h ASN 113 N 0.10 0.13 0.00 0.08 2.35 -1.21 -3.36 115.58 113.67 1jef h ASN 113 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1jef h ASN 113 Cb 0.93 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1jef h ASN 113 CO 0.07 1.15 -0.14 0.54 -1.65 0.00 0.00 177.43 177.40 1jef n ARG 114 N -3.29 6.08 -0.03 0.81 5.12 -0.33 -4.86 116.66 120.16 1jef n ARG 114 Ca -0.11 -0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.76 1jef n ARG 114 Cb 1.01 -0.59 -0.02 0.00 -1.16 0.00 0.00 32.46 31.70 1jef n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jef n LYS 116 N -3.13 1.52 0.00 0.00 4.81 0.11 -1.59 118.16 119.87 1jef n LYS 116 Ca -0.11 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1jef n LYS 116 Cb 0.58 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1jef n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jef n GLY 117 N 2.92 3.28 3.96 3.14 0.00 -1.26 -4.97 105.19 112.26 1jef n GLY 117 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1jef n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jef s THR 118 N -2.16 2.22 -1.13 2.61 -4.23 -0.62 -4.94 115.64 107.39 1jef s THR 118 Ca 0.00 -0.42 -0.22 0.00 -1.18 0.00 0.00 61.69 59.87 1jef s THR 118 Cb 0.00 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 1jef s THR 118 CO 0.00 0.00 1.82 -0.62 -0.54 0.00 0.00 174.62 175.28 1jef s ASP 119 N -4.67 5.69 0.00 3.99 2.15 -1.26 -4.74 116.67 117.83 1jef s ASP 119 Ca 0.65 -1.62 0.18 0.00 0.43 0.00 0.00 52.55 52.20 1jef s ASP 119 Cb -0.07 -2.58 0.85 0.00 -0.30 0.00 0.00 42.92 40.82 1jef s ASP 119 CO 0.45 -2.33 1.57 1.33 -0.17 0.00 0.00 175.17 176.02 1jef n VAL 120 N 7.35 0.61 0.29 1.11 0.24 -1.26 -2.24 118.33 124.44 1jef n VAL 120 Ca 0.43 0.15 0.18 0.00 -2.04 0.00 0.00 64.34 63.07 1jef n VAL 120 Cb 0.47 -0.84 0.78 0.00 -1.47 0.00 0.00 33.84 32.78 1jef n VAL 120 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1jef h HIS 121 N 0.00 0.00 -0.11 6.34 3.86 -1.89 -1.75 115.15 121.60 1jef h HIS 121 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1jef h HIS 121 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1jef h HIS 121 CO 0.00 0.00 0.07 0.00 0.86 0.00 0.00 177.93 178.86 1jef h ALA 122 N 2.01 1.95 0.00 2.45 0.00 -1.85 -2.68 119.26 121.14 1jef h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jef h ALA 122 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jef h ALA 122 CO 0.00 0.04 0.00 -1.49 0.00 0.00 0.00 179.25 177.80 1jef h TRP 123 N 0.12 0.00 -0.08 0.00 4.06 -1.55 -2.65 115.95 115.85 1jef h TRP 123 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1jef h TRP 123 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.18 1jef h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1jef n ILE 124 N -2.53 0.52 -2.74 1.49 -5.35 -1.02 -4.84 119.36 104.88 1jef n ILE 124 Ca -0.00 -0.76 -0.40 0.00 -0.27 0.00 0.00 62.75 61.32 1jef n ILE 124 Cb 0.15 0.79 -0.06 0.00 -1.74 0.00 0.00 39.64 38.78 1jef n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1jef s ARG 125 N -0.72 4.82 0.00 6.28 0.52 -1.00 -2.39 118.95 126.46 1jef s ARG 125 Ca 0.08 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.77 1jef s ARG 125 Cb 0.05 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.21 1jef s ARG 125 CO 0.07 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1jef n GLY 126 N 1.68 1.73 3.64 -3.53 0.00 -1.26 -5.02 105.19 102.43 1jef n GLY 126 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1jef n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jef s ARG 128 N 2.38 2.94 0.00 0.00 1.81 -1.26 -5.07 118.95 119.75 1jef s ARG 128 Ca 0.28 -1.09 0.20 0.00 -1.72 0.00 0.00 55.73 53.40 1jef s ARG 128 Cb -0.16 -3.97 0.16 0.00 -0.45 0.00 0.00 34.95 30.53 1jef s ARG 128 CO 0.09 -0.80 1.12 1.28 -0.68 0.00 0.00 175.30 176.32