#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pop n GLU 3020N 0.00 0.70 0.00 1.97 0.00 -1.26 -4.96 120.64 117.09 2pop n GLU 3020Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 57.16 55.15 2pop n GLU 3020Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 29.99 2pop n GLU 3020CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pop n GLU 3021N 1.96 0.18 0.18 5.31 4.71 -1.26 -4.82 120.64 126.90 2pop n GLU 3021Ca 0.13 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.41 2pop n GLU 3021Cb 0.60 -0.65 0.62 0.00 -1.01 0.00 0.00 31.44 31.00 2pop n GLU 3021CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2pop h GLU 3022N 0.00 0.00 -0.23 3.49 5.08 -1.98 -3.01 114.58 117.93 2pop h GLU 3022Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pop h GLU 3022Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2pop h GLU 3022CO 0.00 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.20 2pop n PHE 3023N -2.43 0.29 0.07 4.33 0.99 -1.26 -3.76 117.46 115.69 2pop n PHE 3023Ca 0.00 -0.14 -0.08 0.00 -0.00 0.00 0.00 57.45 57.23 2pop n PHE 3023Cb 0.15 0.00 0.07 0.00 -1.00 0.00 0.00 39.48 38.70 2pop n PHE 3023CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2pop h VAL 3024N 3.13 1.39 -3.05 -4.37 2.07 -1.89 -3.42 116.25 110.11 2pop h VAL 3024Ca 0.00 -2.10 -0.56 0.00 0.82 0.00 0.00 66.70 64.86 2pop h VAL 3024Cb 0.69 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2pop h VAL 3024CO 0.00 0.63 0.75 -0.70 0.02 0.00 0.00 177.57 178.27 2pop s GLU 3025N -3.66 4.32 0.27 1.57 -6.30 -1.25 -4.94 118.70 108.71 2pop s GLU 3025Ca -0.05 1.61 -0.01 0.00 -2.50 0.00 0.00 54.97 54.02 2pop s GLU 3025Cb 0.11 -3.62 0.48 0.00 0.00 0.00 0.00 34.13 31.10 2pop s GLU 3025CO 0.82 -0.53 1.84 1.49 0.02 0.00 0.00 175.26 178.90 2pop h GLU 3026N 7.64 0.94 -0.71 4.30 4.81 -1.91 -2.62 114.58 127.02 2pop h GLU 3026Ca -0.30 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 58.95 2pop h GLU 3026Cb 1.13 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 2pop h GLU 3026CO 0.91 0.62 0.39 0.35 -0.73 0.00 0.00 179.01 180.55 2pop h PHE 3027N 0.97 0.70 -0.06 0.92 3.57 -1.95 -2.35 116.94 118.74 2pop h PHE 3027Ca 0.46 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.98 2pop h PHE 3027Cb 0.39 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2pop h PHE 3027CO -0.02 0.30 0.03 -0.91 -2.23 0.00 0.00 178.31 175.48 2pop h ASN 3028N 0.68 0.09 -0.94 0.41 2.35 -1.74 -2.41 115.58 114.02 2pop h ASN 3028Ca 0.33 -0.16 0.21 0.00 -0.55 0.00 0.00 56.30 56.13 2pop h ASN 3028Cb 0.28 -0.02 -0.12 0.00 0.05 0.00 0.00 38.32 38.51 2pop h ASN 3028CO -0.22 0.23 0.51 0.03 -1.65 0.00 0.00 177.43 176.32 2pop h ARG 3029N -0.06 0.55 -0.71 0.81 3.08 -1.38 0.18 114.38 116.85 2pop h ARG 3029Ca 0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2pop h ARG 3029Cb 0.17 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2pop h ARG 3029CO -0.00 0.36 0.36 1.25 -1.07 0.00 0.00 179.97 180.87 2pop h LEU 3030N 0.56 0.91 -1.98 3.04 5.85 -1.07 -2.59 115.31 120.04 2pop h LEU 3030Ca 0.58 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 59.27 2pop h LEU 3030Cb 1.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2pop h LEU 3030CO -0.46 0.77 0.24 0.11 -0.34 0.00 0.00 178.44 178.76 2pop h LYS 3031N 0.99 0.02 0.00 1.25 1.57 -0.15 -1.39 116.57 118.85 2pop h LYS 3031Ca 0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2pop h LYS 3031Cb 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2pop h LYS 3031CO -0.04 0.01 0.00 0.25 -0.57 0.00 0.00 179.45 179.11 2pop n THR 3032N -4.44 0.00 0.75 -0.16 -2.24 -0.97 -2.96 114.28 104.25 2pop n THR 3032Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2pop n THR 3032Cb 0.40 -0.54 0.08 0.00 -2.10 0.00 0.00 70.33 68.18 2pop n THR 3032CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2pop n PHE 3033N -0.81 0.02 -0.32 4.78 3.01 -0.53 -4.33 117.46 119.29 2pop n PHE 3033Ca 0.08 -0.01 0.27 0.00 1.01 0.00 0.00 57.45 58.80 2pop n PHE 3033Cb 0.04 -0.00 0.59 0.00 -0.01 0.00 0.00 39.48 40.10 2pop n PHE 3033CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pop h ALA 3034N 3.64 2.53 -0.42 4.37 0.00 -1.73 0.11 119.26 127.76 2pop h ALA 3034Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2pop h ALA 3034Cb 0.78 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 2pop h ALA 3034CO 0.00 -0.93 0.06 0.09 0.00 0.00 0.00 179.25 178.47 2pop n ASN 3035N -4.49 3.43 -4.75 0.00 3.02 -1.26 -5.01 115.26 106.20 2pop n ASN 3035Ca 0.26 -3.40 -0.42 0.00 -0.03 0.00 0.00 54.58 50.99 2pop n ASN 3035Cb 1.01 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 2pop n ASN 3035CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2pop s PHE 3036N -3.06 2.85 -0.24 3.10 5.36 0.37 -4.86 117.98 121.50 2pop s PHE 3036Ca 0.46 0.81 -0.37 0.00 -0.96 0.00 0.00 56.93 56.87 2pop s PHE 3036Cb 0.39 -4.00 -0.13 0.00 -0.34 0.00 0.00 43.02 38.94 2pop s PHE 3036CO 0.06 -3.38 1.89 -2.30 -1.46 0.00 0.00 175.22 170.03 2pop n PRO 3037N 2.42 1.46 -2.16 10.12 -0.02 -1.26 -4.92 135.00 140.63 2pop n PRO 3037Ca 0.09 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 2pop n PRO 3037Cb 0.38 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2pop n PRO 3037CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2pop s SER 3038N 4.60 6.83 0.00 2.55 1.04 -1.26 -3.28 113.70 124.17 2pop s SER 3038Ca 0.99 2.58 0.00 0.00 0.48 0.00 0.00 55.95 60.00 2pop s SER 3038Cb -0.91 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 62.58 2pop s SER 3038CO 0.58 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.89 2pop n GLY 3039N 1.41 0.85 3.75 7.32 0.00 -1.26 -5.10 105.19 112.15 2pop n GLY 3039Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2pop n GLY 3039CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pop s SER 3040N -1.09 7.57 0.01 1.61 0.01 -1.21 -5.03 113.70 115.58 2pop s SER 3040Ca 0.00 1.86 -0.17 0.00 1.31 0.00 0.00 55.95 58.96 2pop s SER 3040Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 2pop s SER 3040CO 0.00 0.11 1.01 1.55 0.41 0.00 0.00 173.24 176.32 2pop h PRO 3041N 4.52 -0.58 -6.85 12.44 0.13 -1.90 -3.45 132.00 136.31 2pop h PRO 3041Ca -0.45 0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.20 2pop h PRO 3041Cb 1.20 0.13 0.07 0.00 0.13 0.00 0.00 31.00 32.53 2pop h PRO 3041CO 0.69 -0.39 0.69 0.08 -0.23 0.00 0.00 178.00 178.84 2pop s VAL 3042N -3.90 2.62 0.26 1.56 1.01 -1.26 -4.97 120.40 115.71 2pop s VAL 3042Ca -0.09 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.19 2pop s VAL 3042Cb 0.01 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2pop s VAL 3042CO 0.26 0.13 1.32 -0.55 0.00 0.00 0.00 175.10 176.26 2pop s SER 3043N -0.21 6.84 0.10 3.32 0.15 -1.26 -4.95 113.70 117.69 2pop s SER 3043Ca 0.52 2.54 -0.33 0.00 0.70 0.00 0.00 55.95 59.38 2pop s SER 3043Cb -0.41 -2.63 -0.14 0.00 -1.71 0.00 0.00 66.02 61.13 2pop s SER 3043CO 0.52 -0.53 1.58 0.00 1.20 0.00 0.00 173.24 176.01 2pop h ALA 3044N 4.50 -0.92 -0.85 5.45 0.00 -1.97 -1.90 119.26 123.58 2pop h ALA 3044Ca -0.47 -0.13 0.22 0.00 0.00 0.00 0.00 54.91 54.53 2pop h ALA 3044Cb 1.22 0.67 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 2pop h ALA 3044CO 0.72 -1.06 0.23 0.66 0.00 0.00 0.00 179.25 179.81 2pop h SER 3045N -0.82 0.03 -0.46 0.00 4.64 -1.95 0.22 113.55 115.19 2pop h SER 3045Ca -0.03 0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2pop h SER 3045Cb 0.76 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2pop h SER 3045CO -0.12 -0.12 -0.00 0.74 -0.87 0.00 0.00 176.83 176.46 2pop h THR 3046N 0.24 1.25 -0.26 2.95 2.02 -1.86 -1.37 112.91 115.89 2pop h THR 3046Ca 0.52 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2pop h THR 3046Cb 1.02 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2pop h THR 3046CO -0.62 0.38 0.14 -0.07 0.37 0.00 0.00 175.52 175.72 2pop h LEU 3047N 0.82 0.32 -0.13 2.58 3.38 0.19 -2.07 115.31 120.40 2pop h LEU 3047Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2pop h LEU 3047Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2pop h LEU 3047CO 0.02 0.31 0.09 0.00 0.09 0.00 0.00 178.44 178.95 2pop h ALA 3048N 1.02 0.17 -1.01 1.53 0.00 -1.10 -1.28 119.26 118.59 2pop h ALA 3048Ca 0.09 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.23 2pop h ALA 3048Cb 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 2pop h ALA 3048CO -0.01 -0.35 0.61 -0.09 0.00 0.00 0.00 179.25 179.40 2pop h ARG 3049N 0.18 0.59 0.00 0.00 9.65 -1.09 1.02 114.38 124.73 2pop h ARG 3049Ca 0.05 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2pop h ARG 3049Cb -0.02 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 2pop h ARG 3049CO -0.01 0.39 0.00 0.00 2.80 0.00 0.00 179.97 183.15 2pop n ALA 3050N -2.33 2.20 -0.39 2.80 0.00 -0.55 -4.85 120.51 117.40 2pop n ALA 3050Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2pop n ALA 3050Cb 0.72 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2pop n ALA 3050CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pop n GLY 3051N 0.30 0.73 3.81 0.00 0.00 0.35 -4.89 105.19 105.50 2pop n GLY 3051Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2pop n GLY 3051CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pop s PHE 3052N -2.79 3.04 -0.01 1.61 0.40 -0.80 -1.96 117.98 117.47 2pop s PHE 3052Ca 0.00 1.49 0.02 0.00 -0.60 0.00 0.00 56.93 57.84 2pop s PHE 3052Cb 0.00 -2.97 -0.00 0.00 0.51 0.00 0.00 43.02 40.55 2pop s PHE 3052CO 0.00 -1.09 -0.06 -1.17 0.70 0.00 0.00 175.22 173.60 2pop s LEU 3053N -4.66 1.98 -0.24 -0.37 1.98 -0.85 -4.25 118.68 112.28 2pop s LEU 3053Ca 0.62 -0.11 -0.26 0.00 -2.89 0.00 0.00 54.13 51.50 2pop s LEU 3053Cb -0.15 -0.31 -0.00 0.00 0.66 0.00 0.00 46.19 46.38 2pop s LEU 3053CO 0.40 0.07 0.88 -0.47 -1.89 0.00 0.00 176.35 175.34 2pop s TYR 3054N -0.10 3.32 -0.02 5.38 6.04 -1.26 -1.32 117.35 129.39 2pop s TYR 3054Ca 0.02 1.22 -0.22 0.00 0.04 0.00 0.00 57.07 58.13 2pop s TYR 3054Cb -0.03 -3.10 -0.15 0.00 -1.04 0.00 0.00 41.96 37.64 2pop s TYR 3054CO -0.00 -0.42 0.99 1.79 -1.54 0.00 0.00 175.55 176.37 2pop h THR 3055N 5.43 0.55 0.00 4.34 1.35 -1.85 -3.47 112.91 119.26 2pop h THR 3055Ca -0.22 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2pop h THR 3055Cb 1.09 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2pop h THR 3055CO 0.90 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 2pop n GLY 3056N 0.10 0.83 3.52 5.82 0.00 -1.26 -5.12 105.19 109.07 2pop n GLY 3056Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2pop n GLY 3056CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pop s GLU 3057N 0.00 3.77 5.80 1.61 2.12 -1.26 -5.00 118.70 125.74 2pop s GLU 3057Ca 0.00 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.89 2pop s GLU 3057Cb 0.00 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2pop s GLU 3057CO 0.00 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 2pop n GLY 3058N 4.24 3.24 1.49 -1.50 0.00 -1.26 -2.05 105.19 109.36 2pop n GLY 3058Ca -0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2pop n GLY 3058CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pop n ASP 3059N 3.46 3.78 -4.75 1.61 5.75 -1.26 -4.61 116.55 120.54 2pop n ASP 3059Ca 0.00 -3.81 -0.39 0.00 -0.01 0.00 0.00 54.79 50.58 2pop n ASP 3059Cb 0.00 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 39.55 2pop n ASP 3059CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pop s THR 3060N -4.00 4.89 0.18 2.12 2.01 -0.87 -4.34 115.64 115.64 2pop s THR 3060Ca 0.47 1.38 0.05 0.00 0.31 0.00 0.00 61.69 63.90 2pop s THR 3060Cb 0.41 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2pop s THR 3060CO -0.00 0.37 -0.08 0.68 -0.69 0.00 0.00 174.62 174.90 2pop s VAL 3061N 0.05 1.22 -0.01 3.82 -7.23 0.21 -2.87 120.40 115.59 2pop s VAL 3061Ca 0.34 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2pop s VAL 3061Cb -0.19 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.73 2pop s VAL 3061CO 0.19 -0.59 0.01 -0.60 -0.31 0.00 0.00 175.10 173.80 2pop s ARG 3062N -3.77 0.09 0.11 4.82 3.52 -0.44 0.64 118.95 123.92 2pop s ARG 3062Ca 0.21 0.07 -0.31 0.00 -0.13 0.00 0.00 55.73 55.58 2pop s ARG 3062Cb 0.03 -0.23 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 2pop s ARG 3062CO 0.04 -0.08 1.64 0.00 -0.81 0.00 0.00 175.30 176.09 2pop h PHE 3064N 7.86 0.00 0.00 0.00 -5.15 -1.74 0.32 116.94 118.24 2pop h PHE 3064Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2pop h PHE 3064Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 2pop h PHE 3064CO 0.74 0.00 0.00 0.45 -2.00 0.00 0.00 178.31 177.50 2pop n SER 3065N -2.36 0.00 -0.06 -0.68 2.88 -1.26 -4.59 113.62 107.54 2pop n SER 3065Ca 0.00 0.14 0.08 0.00 -1.33 0.00 0.00 58.87 57.77 2pop n SER 3065Cb 0.13 -0.32 0.47 0.00 -0.75 0.00 0.00 64.21 63.74 2pop n SER 3065CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pop n HIS 3067N -0.63 -0.40 -2.49 0.00 -0.00 0.11 -4.88 115.22 106.93 2pop n HIS 3067Ca 0.13 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.48 2pop n HIS 3067Cb 0.09 -1.67 -0.04 0.00 -0.00 0.00 0.00 29.99 28.37 2pop n HIS 3067CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pop s ALA 3068N -1.25 3.07 0.14 -1.41 0.00 -1.26 -4.68 121.76 116.39 2pop s ALA 3068Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.77 2pop s ALA 3068Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2pop s ALA 3068CO 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 175.76 175.47 2pop s ALA 3069N -1.63 3.23 -0.02 0.00 0.00 -1.26 -0.21 121.76 121.86 2pop s ALA 3069Ca 0.59 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2pop s ALA 3069Cb -0.23 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 21.85 2pop s ALA 3069CO 0.29 0.56 0.05 0.08 0.00 0.00 0.00 175.76 176.74 2pop s VAL 3070N -1.56 -0.04 0.00 0.00 1.01 0.21 -4.94 120.40 115.07 2pop s VAL 3070Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2pop s VAL 3070Cb -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.18 2pop s VAL 3070CO 0.18 0.06 0.00 -0.90 0.00 0.00 0.00 175.10 174.45 2pop n ASP 3071N 3.91 0.00 -3.89 3.32 5.75 -1.26 -0.61 116.55 123.76 2pop n ASP 3071Ca -0.24 -0.46 -0.26 0.00 -0.01 0.00 0.00 54.79 53.82 2pop n ASP 3071Cb 0.53 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.61 2pop n ASP 3071CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2pop n ARG 3072N 0.00 -3.10 -1.67 0.11 1.74 -1.26 -4.94 116.66 107.54 2pop n ARG 3072Ca 0.00 0.43 -0.32 0.00 -0.77 0.00 0.00 57.85 57.19 2pop n ARG 3072Cb 0.00 -4.50 0.05 0.00 -1.02 0.00 0.00 32.46 26.99 2pop n ARG 3072CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2pop s TRP 3073N -3.85 2.76 0.05 -1.55 0.52 -1.26 -5.07 118.94 110.54 2pop s TRP 3073Ca 0.08 1.52 -0.00 0.00 0.02 0.00 0.00 56.10 57.72 2pop s TRP 3073Cb -0.03 -3.06 -0.03 0.00 -1.15 0.00 0.00 33.47 29.19 2pop s TRP 3073CO 0.88 -1.52 -0.04 -0.65 0.02 0.00 0.00 176.95 175.64 2pop s GLN 3074N -4.42 0.56 0.32 4.98 -0.21 -1.26 -4.88 119.66 114.75 2pop s GLN 3074Ca 0.63 -1.06 -0.29 0.00 0.02 0.00 0.00 55.36 54.67 2pop s GLN 3074Cb -0.18 0.09 -0.12 0.00 1.00 0.00 0.00 33.01 33.81 2pop s GLN 3074CO 0.46 -0.07 1.50 0.66 -2.12 0.00 0.00 175.29 175.72 2pop n TYR 3075N 0.54 2.76 -0.32 0.91 4.02 -1.26 -2.41 117.16 121.41 2pop n TYR 3075Ca -0.17 0.38 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2pop n TYR 3075Cb 0.59 -2.54 0.00 0.00 -0.02 0.00 0.00 39.34 37.37 2pop n TYR 3075CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pop n GLY 3076N 1.36 0.71 3.82 2.72 0.00 -1.26 -5.06 105.19 107.47 2pop n GLY 3076Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2pop n GLY 3076CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pop s ASP 3077N -2.75 6.55 -0.21 1.61 1.01 -1.01 -5.05 116.67 116.82 2pop s ASP 3077Ca 0.00 1.71 -0.05 0.00 0.71 0.00 0.00 52.55 54.92 2pop s ASP 3077Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2pop s ASP 3077CO 0.00 -0.64 0.00 -0.55 0.21 0.00 0.00 175.17 174.20 2pop s SER 3078N -2.55 4.75 0.07 0.27 0.15 -1.26 -4.89 113.70 110.24 2pop s SER 3078Ca 0.62 -0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.77 2pop s SER 3078Cb -0.12 -1.82 -0.11 0.00 -1.71 0.00 0.00 66.02 62.26 2pop s SER 3078CO 0.24 0.02 1.39 0.00 1.20 0.00 0.00 173.24 176.10 2pop h ALA 3079N 7.79 -0.94 -0.24 5.45 0.00 -1.96 0.27 119.26 129.62 2pop h ALA 3079Ca -0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2pop h ALA 3079Cb 1.17 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2pop h ALA 3079CO 0.60 -1.00 0.10 -0.24 0.00 0.00 0.00 179.25 178.70 2pop h VAL 3080N -0.61 1.10 0.52 0.00 3.04 -1.92 -0.65 116.25 117.73 2pop h VAL 3080Ca -0.02 -0.31 -0.03 0.00 -1.01 0.00 0.00 66.70 65.34 2pop h VAL 3080Cb 0.57 0.82 0.01 0.00 -2.01 0.00 0.00 31.29 30.67 2pop h VAL 3080CO -0.14 0.12 -0.25 1.23 -1.01 0.00 0.00 177.57 177.52 2pop h GLY 3081N 0.47 -0.73 0.78 3.17 0.00 -1.71 0.60 103.07 105.65 2pop h GLY 3081Ca 0.09 0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.82 2pop h GLY 3081CO -0.01 -0.27 0.48 3.21 0.00 0.00 0.00 176.54 179.96 2pop h ARG 3082N -0.73 0.45 -0.14 4.80 2.47 -0.41 -1.19 114.38 119.62 2pop h ARG 3082Ca -0.07 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2pop h ARG 3082Cb 0.54 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2pop h ARG 3082CO 0.12 0.30 0.06 1.25 0.56 0.00 0.00 179.97 182.26 2pop h HIS 3083N 0.46 0.21 -0.74 3.04 2.76 -0.86 -0.40 115.15 119.63 2pop h HIS 3083Ca 0.35 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 2pop h HIS 3083Cb 0.72 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.57 2pop h HIS 3083CO -0.00 0.27 0.49 0.00 -1.30 0.00 0.00 177.93 177.39 2pop h ARG 3084N 0.09 0.97 0.08 5.26 3.08 0.27 -1.73 114.38 122.41 2pop h ARG 3084Ca 0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2pop h ARG 3084Cb 0.14 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2pop h ARG 3084CO -0.01 0.64 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.28 2pop h LYS 3085N 1.00 -0.11 0.70 0.04 3.64 -0.91 -2.46 116.57 118.46 2pop h LYS 3085Ca 0.28 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 2pop h LYS 3085Cb -0.10 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2pop h LYS 3085CO -0.06 0.23 -0.33 0.28 -2.27 0.00 0.00 179.45 177.30 2pop h VAL 3086N -0.46 0.00 -3.41 2.00 2.07 -0.90 -3.36 116.25 112.18 2pop h VAL 3086Ca -0.01 -0.03 -0.68 0.00 0.82 0.00 0.00 66.70 66.80 2pop h VAL 3086Cb 0.39 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 29.79 2pop h VAL 3086CO 0.02 0.00 -0.36 -0.55 0.02 0.00 0.00 177.57 176.70 2pop s SER 3087N -3.46 5.23 0.00 0.57 0.15 -0.67 -4.95 113.70 110.57 2pop s SER 3087Ca -0.14 -3.23 0.00 0.00 0.70 0.00 0.00 55.95 53.28 2pop s SER 3087Cb 0.01 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2pop s SER 3087CO 0.41 -0.26 0.08 -0.81 1.20 0.00 0.00 173.24 173.86 2pop n PRO 3088N 2.94 0.16 0.00 5.44 -0.04 -0.93 -2.77 135.00 139.80 2pop n PRO 3088Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2pop n PRO 3088Cb 0.36 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2pop n PRO 3088CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pop n ASN 3089N 0.46 0.00 -3.70 3.54 3.02 -1.26 -5.00 115.26 112.32 2pop n ASN 3089Ca 0.00 -1.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.21 2pop n ASN 3089Cb 0.04 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 2pop n ASN 3089CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pop n ARG 3091N 7.29 0.00 -0.34 0.00 5.12 -1.26 0.18 116.66 127.64 2pop n ARG 3091Ca 0.39 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.33 2pop n ARG 3091Cb 0.40 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.80 2pop n ARG 3091CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2pop h PHE 3092N 0.00 -0.67 0.00 -1.55 3.57 -1.91 2.16 116.94 118.54 2pop h PHE 3092Ca 0.00 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2pop h PHE 3092Cb 0.00 0.44 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2pop h PHE 3092CO 0.00 -0.41 -0.01 0.82 -2.23 0.00 0.00 178.31 176.48 2pop h ILE 3093N -0.01 0.40 -0.64 1.41 1.08 0.15 -1.98 117.51 117.93 2pop h ILE 3093Ca 0.42 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.83 2pop h ILE 3093Cb 0.66 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 2pop h ILE 3093CO -0.96 0.01 0.00 0.59 -0.69 0.00 0.00 178.15 177.10 2pop n ASN 3094N -3.64 3.75 0.00 1.72 3.02 0.72 -4.98 115.26 115.84 2pop n ASN 3094Ca -0.03 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 2pop n ASN 3094Cb 0.10 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2pop n ASN 3094CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pop n GLY 3095N 1.48 0.50 0.34 7.41 0.00 -0.25 -4.90 105.19 109.77 2pop n GLY 3095Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2pop n GLY 3095CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pop n PHE 3096N -2.97 0.00 -3.58 1.61 0.99 -1.14 -4.37 117.46 108.00 2pop n PHE 3096Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.16 2pop n PHE 3096Cb 0.01 -0.05 -0.15 0.00 -1.00 0.00 0.00 39.48 38.29 2pop n PHE 3096CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 2pop s TYR 3097N -1.32 0.57 0.00 1.38 1.51 -1.26 -4.91 117.35 113.31 2pop s TYR 3097Ca 0.00 -1.01 0.00 0.00 -1.01 0.00 0.00 57.07 55.05 2pop s TYR 3097Cb 0.00 -1.04 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 2pop s TYR 3097CO 0.00 -0.83 0.12 1.28 -1.11 0.00 0.00 175.55 175.01